A0A077YWL8_TRITR Loading...

Ral guanine nucleotide exchange ral guanine nucl eotide dissociation

AlphaFold DB , UniProt , Accession A0A077YWL8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 795 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
1M48.5Very low80.4Confident91 Ų9181.4 Ų81.445%0.44838%0.377SS..  0110.40-71.2-177175.900108K21 K22 V23 N431M1-K21 WeakPolarHBondContact SD-CE 3.35Å; M1-K22 WeakPolarHBondContact CG-O 3.4Å; M1-V23 HydrophobicContact CE-CB 4.39Å; M1-V23 HydrophobicContact CE-CG1 3.85Å; M1-V23 HydrophobicContact SD-CG2 4.34Å; M1-N431 PolarHBondContact O-OD1 2.97Å
2S58.9Low81.2Confident54 Ų5485.7 Ų85.738%0.37842%0.417SS..  trans-87.3128177.4179.30000109.2K22 G430 N431S2-K22 PolarHBondContact O-N 3.31Å; S2-G430 WeakPolarHBondContact CA-O 3.46Å; S2-G430 PolarHBondContact OG-O 3.34Å; S2-N431 VanDerWaalsContact CA-OD1 3.28Å; S2-N431 WeakPolarHBondContact CA-OD1 3.24Å
3S70.3Confident82.2Confident5 Ų582.8 Ų82.84%0.03541%0.405CS..EExtended strand (participates in β ladder)trans-102.4128.7167.552.90000108.4L20 G430 V432S3-L20 CarbonylContact C-O 3.51Å; S3-L20 VanDerWaalsContact CA-O 3.29Å; S3-L20 WeakPolarHBondContact CA-O 3.26Å; S3-G430 PolarHBondContact N-O 3.21Å; S3-G430 CarbonylContact O-C 3.59Å; S3-G430 VanDerWaalsContact O-CA 3.31Å; S3-G430 WeakPolarHBondContact O-CA 3.47Å; S3-V432 VanDerWaalsContact CB-CG2 3.46Å; S3-V432 VanDerWaalsContact OG-CB 3.27Å; S3-V432 WeakPolarHBondContact OG-CB 3.38Å; S3-V432 WeakPolarHBondContact OG-CG2 3.4Å; S3-V432 PolarHBondContact OG-N 3.31Å
4R80.2Confident83.1Confident141 Ų14176.9 Ų76.953%0.53238%0.376SS..EExtended strand (participates in β ladder)trans-108.5133.3174-66.8-172.7-177.2-1466.8109.1Y6 Y19 L20 K677R4-Y6 PolarHBondContact O-N 2.65Å; R4-Y19 CarbonylContact O-C 3.57Å; R4-Y19 VanDerWaalsContact O-CA 3.29Å; R4-Y19 WeakPolarHBondContact O-CA 3.38Å; R4-L20 PolarHBondContact N-O 2.64Å; R4-L20 PolarHBondContact O-N 2.85Å; R4-K677 VanDerWaalsContact NH1-NZ 3.19Å
5Y85.6Confident83.8Confident115 Ų11572.9 Ų72.945%0.45136%0.357SS..EExtended strand (participates in β ladder)trans-59.3130.7169.3178.3-102.8000109.1D8 A17 Y19Y5-D8 PolarHBondContact OH-OD1 3.06Å; Y5-D8 PolarHBondContact OH-OD2 3.38Å; Y5-A17 HydrophobicContact CD2-CB 4.5Å; Y5-A17 HydrophobicContact CE2-CB 4.02Å; Y5-Y19 HydrophobicContact CD2-CD1 4.34Å; Y5-Y19 AromaticContact CD2-CE1 3.89Å; Y5-Y19 HydrophobicContact CD2-CE1 3.89Å; Y5-Y19 HydrophobicContact CG-CE1 4.37Å
6Y85.9Confident84.4Confident133 Ų13369.8 Ų69.852%0.52234%0.34SS..EExtended strand (participates in β ladder)trans-102.1-43.9-177.2-178.8-106.2000111.4R4 V18 L20R4-Y6 PolarHBondContact O-N 2.65Å; Y6-V18 WeakPolarHBondContact CB-O 3.36Å; Y6-V18 HydrophobicContact CD1-CB 4.31Å; Y6-V18 HydrophobicContact CD1-CG1 3.96Å; Y6-V18 HydrophobicContact CG-CG1 4.34Å; Y6-V18 PolarHBondContact N-O 3.43Å; Y6-L20 HydrophobicContact CD2-CD1 3.4Å; Y6-L20 HydrophobicContact CD2-CG 3.88Å; Y6-L20 HydrophobicContact CE2-CD1 3.96Å; Y6-L20 HydrophobicContact CG-CD1 4.12Å; Y6-L20 HydrophobicContact CG-CG 4.09Å
7G89.3Confident84.8Confident19 Ų1965.8 Ų65.820%0.19632%0.32CS..EExtended strand (participates in β ladder)trans164-176.1-176.900000111V18G7-V18 WeakPolarHBondContact O-CB 3.45Å; G7-V18 PolarHBondContact O-N 3.24Å
8D90.9Very high85Confident76 Ų7662.2 Ų62.241%0.40630%0.303SS..EExtended strand (participates in β ladder)trans-103.1139.7174.3-72.8-28.7000110.2Y5 Y16 K79Y5-D8 PolarHBondContact OH-OD1 3.06Å; Y5-D8 PolarHBondContact OH-OD2 3.38Å; D8-Y16 CarbonylContact C-O 3.54Å; D8-Y16 VanDerWaalsContact CA-O 3.26Å; D8-Y16 WeakPolarHBondContact CA-O 3.2Å; D8-K79 WeakPolarHBondContact OD1-CD 3.32Å; D8-K79 IonicContact OD1-NZ 2.75Å; D8-K79 PolarHBondContact OD1-NZ 2.99Å; D8-K79 IonicContact OD2-NZ 3.31Å; D8-K79 PolarHBondContact OD2-NZ 3.25Å
9E91.1Very high85.1Confident47 Ų4761.4 Ų61.422%0.2230%0.297CS..EExtended strand (participates in β ladder)trans-111.4113.9169.6-83.2175.1-166.700108.7H15 Y16 V18 K74 R76E9-H15 WeakPolarHBondContact O-CA 3.31Å; E9-Y16 PolarHBondContact N-O 3.22Å; E9-Y16 PolarHBondContact O-N 3.11Å; E9-V18 HydrophobicContact CB-CG2 4.05Å; E9-V18 HydrophobicContact CG-CG2 3.67Å; E9-K74 WeakPolarHBondContact OE1-CE 3.34Å; E9-K74 IonicContact OE1-NZ 2.64Å; E9-K74 PolarHBondContact OE1-NZ 2.87Å; E9-K74 IonicContact OE2-NZ 3.82Å; E9-R76 IonicContact OE2-CZ 2.79Å; E9-R76 IonicContact OE2-NE 2.9Å; E9-R76 PolarHBondContact OE2-NE 3.28Å; E9-R76 IonicContact OE2-NH2 2.7Å
10K92.1Very high85Confident135 Ų13561.2 Ų61.259%0.58730%0.297SS*.EExtended strand (participates in β ladder)trans-98.6128.9178.1-64.4-168.2168.6-161.60111E480K10-E480 IonicContact NZ-OE1 2.72Å; K10-E480 PolarHBondContact NZ-OE1 3.28Å
11Q92Very high84.6Confident79 Ų7958.4 Ų58.437%0.36928%0.283SS..EExtended strand (participates in β ladder)trans-124.3157.3168.2-60.6-179.3-100108.2D13 V14Q11-D13 PolarHBondContact O-N 2.69Å; Q11-D13 VanDerWaalsContact O-N 3.12Å; Q11-V14 CarbonylContact C-O 3.58Å; Q11-V14 WeakPolarHBondContact CA-O 3.21Å; Q11-V14 HydrophobicContact CB-CG1 3.94Å; Q11-V14 WeakPolarHBondContact CB-O 3.48Å; Q11-V14 HydrophobicContact CG-CG1 4.45Å; Q11-V14 PolarHBondContact N-O 3.09Å; Q11-V14 CarbonylContact O-C 3.46Å; Q11-V14 PolarHBondContact O-N 2.79Å; Q11-V14 VanDerWaalsContact O-N 3.14Å
12P90.3Very high85.9Confident133 Ų13358.6 Ų58.686%0.86428%0.282SS*.THydrogen-bonded Turntrans-56.7-30.8-176.8-25.634.7000114.4
13D93.8Very high86.3Confident49 Ų4956.8 Ų56.826%0.26227%0.268SS..THydrogen-bonded Turntrans-99.7-11.6-178.563.7-40.6000113.9Q11 A81 T82 K85Q11-D13 PolarHBondContact O-N 2.69Å; Q11-D13 VanDerWaalsContact O-N 3.12Å; D13-A81 CarbonylContact O-C 3.58Å; D13-A81 WeakPolarHBondContact O-CA 3.31Å; D13-T82 HydrophobicContact CB-CG2 4.22Å; D13-T82 PolarHBondContact O-N 2.83Å; D13-K85 WeakPolarHBondContact OD2-CD 3.39Å; D13-K85 IonicContact OD2-NZ 3.15Å; D13-K85 PolarHBondContact OD2-NZ 2.92Å
14V94.3Very high86.2Confident0 Ų058 Ų580%028%0.275CS..EExtended strand (participates in β ladder)trans-162.9140.3-172.357.90000114.2Q11 Y16 I78 A80 A81 K85Q11-V14 CarbonylContact C-O 3.58Å; Q11-V14 WeakPolarHBondContact CA-O 3.21Å; Q11-V14 HydrophobicContact CB-CG1 3.94Å; Q11-V14 WeakPolarHBondContact CB-O 3.48Å; Q11-V14 HydrophobicContact CG-CG1 4.45Å; Q11-V14 PolarHBondContact N-O 3.09Å; Q11-V14 CarbonylContact O-C 3.46Å; Q11-V14 PolarHBondContact O-N 2.79Å; Q11-V14 VanDerWaalsContact O-N 3.14Å; V14-Y16 HydrophobicContact CB-CE2 4.13Å; V14-Y16 HydrophobicContact CG1-CD2 4.05Å; V14-Y16 HydrophobicContact CG1-CE2 3.29Å; V14-Y16 HydrophobicContact CG2-CD1 4.16Å; V14-Y16 HydrophobicContact CG2-CD2 4Å; V14-Y16 HydrophobicContact CG2-CE1 3.83Å; V14-Y16 HydrophobicContact CG2-CE2 3.65Å; V14-Y16 HydrophobicContact CG2-CG 4.25Å; V14-I78 HydrophobicContact CG2-CD1 4.29Å; V14-I78 HydrophobicContact CG2-CG1 3.97Å; V14-I78 HydrophobicContact CG2-CG2 4.1Å; V14-A80 CarbonylContact C-O 3.31Å; V14-A80 WeakPolarHBondContact CA-O 3.27Å; V14-A80 WeakPolarHBondContact CG2-O 3.47Å; V14-A81 HydrophobicContact CB-CB 4.24Å; V14-A81 HydrophobicContact CG2-CB 4.1Å; V14-K85 HydrophobicContact CB-CG 3.79Å; V14-K85 HydrophobicContact CG1-CG 4.04Å; V14-K85 HydrophobicContact CG2-CG 4.29Å
15H94.6Very high85.1Confident17 Ų1753.2 Ų53.28%0.07926%0.257CS..EExtended strand (participates in β ladder)trans-108.4124.7166.7-63.4172.4000110.3E9 K79 A80 E480E9-H15 WeakPolarHBondContact O-CA 3.31Å; H15-K79 HydrophobicContact CB-CB 4.49Å; H15-K79 PolarHBondContact O-N 3.4Å; H15-A80 HydrophobicContact CB-CB 4.26Å; H15-A80 PolarHBondContact N-O 3.43Å; H15-A80 PolarHBondContact O-N 2.95Å; H15-E480 VanDerWaalsContact CE1-CD 3.41Å; H15-E480 IonicContact CE1-OE1 3.58Å; H15-E480 PolarHBondContact CE1-OE1 3.13Å; H15-E480 IonicContact CE1-OE2 3.7Å; H15-E480 PolarHBondContact CE1-OE2 3.33Å; H15-E480 IonicContact NE2-OE1 3.8Å; H15-E480 IonicContact NE2-OE2 3.6Å; H15-E480 PolarHBondContact NE2-OE2 2.82Å
16Y92.4Very high83.5Confident23 Ų2352.7 Ų52.79%0.0926%0.258CS..EExtended strand (participates in β ladder)trans-104.7135.5175.6-65-76.7000111.2D8 E9 V14 R76 V77 I78 K85D8-Y16 CarbonylContact C-O 3.54Å; D8-Y16 VanDerWaalsContact CA-O 3.26Å; D8-Y16 WeakPolarHBondContact CA-O 3.2Å; E9-Y16 PolarHBondContact N-O 3.22Å; E9-Y16 PolarHBondContact O-N 3.11Å; V14-Y16 HydrophobicContact CB-CE2 4.13Å; V14-Y16 HydrophobicContact CG1-CD2 4.05Å; V14-Y16 HydrophobicContact CG1-CE2 3.29Å; V14-Y16 HydrophobicContact CG2-CD1 4.16Å; V14-Y16 HydrophobicContact CG2-CD2 4Å; V14-Y16 HydrophobicContact CG2-CE1 3.83Å; V14-Y16 HydrophobicContact CG2-CE2 3.65Å; V14-Y16 HydrophobicContact CG2-CG 4.25Å; Y16-R76 HydrophobicContact CD1-CB 3.78Å; Y16-R76 HydrophobicContact CE1-CB 4.33Å; Y16-R76 HydrophobicContact CG-CB 4.14Å; Y16-V77 CarbonylContact C-O 3.53Å; Y16-V77 VanDerWaalsContact CA-O 3.31Å; Y16-V77 WeakPolarHBondContact CA-O 3.34Å; Y16-I78 HydrophobicContact CD1-CG1 3.88Å; Y16-I78 HydrophobicContact CE1-CD1 4.27Å; Y16-I78 HydrophobicContact CE1-CG1 3.47Å; Y16-I78 VanDerWaalsContact CE1-CG1 3.47Å; Y16-K85 WeakPolarHBondContact OH-CE 3.28Å
17A91Very high81.6Confident1 Ų148.6 Ų48.61%0.00825%0.249CC..EExtended strand (participates in β ladder)trans-81.7124155.100000107.9Y5 Y19 V77 K79Y5-A17 HydrophobicContact CD2-CB 4.5Å; Y5-A17 HydrophobicContact CE2-CB 4.02Å; A17-Y19 HydrophobicContact CB-CD2 4.43Å; A17-Y19 HydrophobicContact CB-CE2 3.62Å; A17-V77 HydrophobicContact CB-CB 4.43Å; A17-V77 PolarHBondContact N-O 2.78Å; A17-V77 PolarHBondContact O-N 3.07Å; A17-K79 HydrophobicContact CB-CD 3.67Å; A17-K79 HydrophobicContact CB-CG 3.61Å
18V88.4Confident79.2Confident1 Ų151.2 Ų51.21%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-98.8128.6178.3-177.10000109.2Y6 G7 E9 K74 R76Y6-V18 WeakPolarHBondContact CB-O 3.36Å; Y6-V18 HydrophobicContact CD1-CB 4.31Å; Y6-V18 HydrophobicContact CD1-CG1 3.96Å; Y6-V18 HydrophobicContact CG-CG1 4.34Å; Y6-V18 PolarHBondContact N-O 3.43Å; G7-V18 WeakPolarHBondContact O-CB 3.45Å; G7-V18 PolarHBondContact O-N 3.24Å; E9-V18 HydrophobicContact CB-CG2 4.05Å; E9-V18 HydrophobicContact CG-CG2 3.67Å; V18-K74 HydrophobicContact CG1-CD 4Å; V18-K74 HydrophobicContact CG1-CG 3.51Å; V18-R76 HydrophobicContact CG2-CG 4.5Å
19Y86.7Confident76.7Confident48 Ų4855.6 Ų55.619%0.18829%0.294CS..EExtended strand (participates in β ladder)trans-117.7138.8172.6-60.5-94000109.8R4 Y5 A17 V75 V77R4-Y19 CarbonylContact O-C 3.57Å; R4-Y19 VanDerWaalsContact O-CA 3.29Å; R4-Y19 WeakPolarHBondContact O-CA 3.38Å; Y5-Y19 HydrophobicContact CD2-CD1 4.34Å; Y5-Y19 AromaticContact CD2-CE1 3.89Å; Y5-Y19 HydrophobicContact CD2-CE1 3.89Å; Y5-Y19 HydrophobicContact CG-CE1 4.37Å; A17-Y19 HydrophobicContact CB-CD2 4.43Å; A17-Y19 HydrophobicContact CB-CE2 3.62Å; Y19-V75 PolarHBondContact N-O 2.81Å; Y19-V75 PolarHBondContact O-N 2.99Å; Y19-V77 HydrophobicContact CD2-CB 4.42Å; Y19-V77 HydrophobicContact CD2-CG2 3.82Å; Y19-V77 HydrophobicContact CE2-CB 4.08Å; Y19-V77 HydrophobicContact CE2-CG2 3.84Å
20L83.7Confident74.1Confident57 Ų5756.5 Ų56.530%0.29832%0.316SS..EExtended strand (participates in β ladder)trans-96.5116169.1-67.1-178.6000108.9S3 R4 Y6 T72 K74S3-L20 CarbonylContact C-O 3.51Å; S3-L20 VanDerWaalsContact CA-O 3.29Å; S3-L20 WeakPolarHBondContact CA-O 3.26Å; R4-L20 PolarHBondContact N-O 2.64Å; R4-L20 PolarHBondContact O-N 2.85Å; Y6-L20 HydrophobicContact CD2-CD1 3.4Å; Y6-L20 HydrophobicContact CD2-CG 3.88Å; Y6-L20 HydrophobicContact CE2-CD1 3.96Å; Y6-L20 HydrophobicContact CG-CD1 4.12Å; Y6-L20 HydrophobicContact CG-CG 4.09Å; L20-T72 HydrophobicContact CB-CG2 3.74Å; L20-T72 HydrophobicContact CD1-CG2 4.45Å; L20-T72 HydrophobicContact CD2-CG2 4.21Å; L20-T72 HydrophobicContact CG-CG2 4.33Å; L20-K74 HydrophobicContact CD2-CB 4.22Å; L20-K74 HydrophobicContact CD2-CG 4.44Å
21K77.2Confident71.4Confident3 Ų356.4 Ų56.41%0.01332%0.321CS..EExtended strand (participates in β ladder)trans-106.5123.6-179.6-173.9179.5-179179.20110.4M1 V23 T72 I73 V75 V432 D434M1-K21 WeakPolarHBondContact SD-CE 3.35Å; K21-V23 HydrophobicContact CD-CG2 4.17Å; K21-V23 HydrophobicContact CG-CG2 4.1Å; K21-T72 CarbonylContact O-C 3.47Å; K21-T72 WeakPolarHBondContact O-CA 3.49Å; K21-I73 PolarHBondContact N-O 2.79Å; K21-I73 PolarHBondContact O-N 3.45Å; K21-V75 HydrophobicContact CB-CG2 3.97Å; K21-V432 HydrophobicContact CD-CB 4.42Å; K21-V432 HydrophobicContact CD-CG1 3.99Å; K21-V432 WeakPolarHBondContact CE-O 3.4Å; K21-V432 PolarHBondContact NZ-O 3.14Å; K21-V432 VanDerWaalsContact NZ-O 3.07Å; K21-D434 IonicContact NZ-OD1 2.66Å; K21-D434 PolarHBondContact NZ-OD1 2.9Å; K21-D434 IonicContact NZ-OD2 2.72Å; K21-D434 PolarHBondContact NZ-OD2 3.29Å
22K76.1Confident68.8Low95 Ų9562.7 Ų62.741%0.41335%0.347SS..EExtended strand (participates in β ladder)trans-81.6117.5172.3-156.9-171.2-179.5-160.30110M1 S2 W70M1-K22 WeakPolarHBondContact CG-O 3.4Å; S2-K22 PolarHBondContact O-N 3.31Å; K22-W70 HydrophobicContact CD-CD2 4.2Å; K22-W70 HydrophobicContact CD-CE3 3.77Å; K22-W70 HydrophobicContact CD-CZ3 4.32Å; K22-W70 VanDerWaalsContact CE-CD2 3.45Å; K22-W70 VanDerWaalsContact CE-CG 3.43Å; K22-W70 HydrophobicContact CG-CB 4.45Å; K22-W70 HydrophobicContact CG-CD2 4.47Å; K22-W70 HydrophobicContact CG-CE3 3.78Å; K22-W70 HydrophobicContact CG-CZ3 4.47Å
23V67.6Low66.1Low15 Ų1561.2 Ų61.29%0.09133%0.332CS..EExtended strand (participates in β ladder)trans-112.9143.6179.4-175.50000108.8M1 K21 Y25 W70 E71 I73M1-V23 HydrophobicContact CE-CB 4.39Å; M1-V23 HydrophobicContact CE-CG1 3.85Å; M1-V23 HydrophobicContact SD-CG2 4.34Å; K21-V23 HydrophobicContact CD-CG2 4.17Å; K21-V23 HydrophobicContact CG-CG2 4.1Å; V23-Y25 HydrophobicContact CG1-CE1 4.16Å; V23-W70 CarbonylContact O-C 3.53Å; V23-W70 WeakPolarHBondContact O-CA 3.48Å; V23-E71 PolarHBondContact N-O 3.22Å; V23-E71 PolarHBondContact O-N 3.34Å; V23-I73 HydrophobicContact CB-CD1 4.04Å; V23-I73 HydrophobicContact CB-CG1 4.36Å; V23-I73 HydrophobicContact CG1-CD1 4.4Å; V23-I73 HydrophobicContact CG2-CB 4.45Å; V23-I73 HydrophobicContact CG2-CD1 3.62Å; V23-I73 HydrophobicContact CG2-CG1 3.93Å
24N66.6Low63.5Low32 Ų3262.6 Ų62.617%0.17135%0.351CS..EExtended strand (participates in β ladder)trans-105.3133178.9-169.617.6000108.8L68 E69 W70N24-L68 WeakPolarHBondContact ND2-CD2 3.4Å; N24-E69 PolarHBondContact OD1-O 2.87Å; N24-W70 HydrophobicContact CB-CD2 4.22Å; N24-W70 HydrophobicContact CB-CE3 3.72Å; N24-W70 HydrophobicContact CB-CH2 3.9Å; N24-W70 HydrophobicContact CB-CZ2 4.34Å; N24-W70 HydrophobicContact CB-CZ3 3.57Å
25Y58.3Low60.8Low39 Ų3969.5 Ų69.515%0.15339%0.388CS..EExtended strand (participates in β ladder)trans-105.8142.4170-58.4-53.1000109.8V23 L50 E69 E71V23-Y25 HydrophobicContact CG1-CE1 4.16Å; Y25-L50 HydrophobicContact CD1-CD2 3.46Å; Y25-L50 VanDerWaalsContact CD1-CD2 3.46Å; Y25-L50 HydrophobicContact CE1-CD1 3.75Å; Y25-L50 HydrophobicContact CE1-CD2 3.27Å; Y25-L50 HydrophobicContact CE1-CG 4.15Å; Y25-E69 PolarHBondContact N-O 3.14Å; Y25-E69 PolarHBondContact O-N 3.1Å; Y25-E71 HydrophobicContact CD2-CB 4.1Å; Y25-E71 HydrophobicContact CE2-CB 3.21Å; Y25-E71 HydrophobicContact CE2-CG 4.12Å; Y25-E71 WeakPolarHBondContact CE2-OE2 3.43Å; Y25-E71 VanDerWaalsContact OH-CD 3.3Å; Y25-E71 PolarHBondContact OH-OE2 2.89Å
26H52.2Low58.1Low105 Ų10575.3 Ų75.349%0.48642%0.418SS..EExtended strand (participates in β ladder)trans-102.3120.9163-5780.5000105.3G28H26-G28 PolarHBondContact O-N 2.98Å; H26-G28 VanDerWaalsContact O-N 3.12Å
27S45.7Very low55.4Low46 Ų4680 Ų8032%0.32244%0.439SS..  trans-68.9102.3172.245.40000108.5E29S27-E29 VanDerWaalsContact C-N 3.26Å; S27-E29 PolarHBondContact O-N 3.24Å; S27-E29 VanDerWaalsContact O-N 3.08Å
28G38.4Very low52.7Low74 Ų7483 Ų8376%0.76346%0.464SS*.  trans-79.373.6168.900000110.6H26 G30H26-G28 PolarHBondContact O-N 2.98Å; H26-G28 VanDerWaalsContact O-N 3.12Å; G28-G30 PolarHBondContact O-N 3.26Å
29E38.7Very low50.1Low168 Ų16890.3 Ų90.379%0.78550%0.503SS*.THydrogen-bonded Turntrans-75.975.1166.2-75.2-163.5165.300109.3S27S27-E29 VanDerWaalsContact C-N 3.26Å; S27-E29 PolarHBondContact O-N 3.24Å; S27-E29 VanDerWaalsContact O-N 3.08Å
30G36.3Very low47.6Very low67 Ų6791.9 Ų91.969%0.69152%0.52SS*.THydrogen-bonded Turntrans-150.6-11.7-179.100000116.5G28G28-G30 PolarHBondContact O-N 3.26Å
31L35.6Very low45.2Very low132 Ų13292.7 Ų92.769%0.69154%0.535SS*.  trans-116.981.7179.1-80.5109000112.2N33 F37L31-N33 PolarHBondContact O-N 2.73Å; L31-N33 VanDerWaalsContact O-N 3.11Å; L31-F37 HydrophobicContact CD2-CE2 3.67Å; L31-F37 HydrophobicContact CD2-CZ 4.07Å
32K36.9Very low43.2Very low212 Ų21296.9 Ų96.992%0.92257%0.57SS**  trans-7637.1161.2-74.6-173.9176.5177.10112.9
33N34Very low41.4Very low101 Ų10194.2 Ų94.254%0.5457%0.57SS.*  trans-118.673.7168.4-88.6-24.2000108.8L31 D35L31-N33 PolarHBondContact O-N 2.73Å; L31-N33 VanDerWaalsContact O-N 3.11Å; N33-D35 PolarHBondContact O-N 3.22Å
34A38Very low40Very low79 Ų7999.8 Ų99.865%0.65359%0.593SS**THydrogen-bonded Turntrans-63.2-18.9175.600000112.7
35D37.2Very low39Very low145 Ų14599.3 Ų99.378%0.77559%0.592SS**THydrogen-bonded Turntrans-86.7-15.8-173.8-62.7-28.6000114.5N33N33-D35 PolarHBondContact O-N 3.22Å
36L38.9Very low37.9Very low138 Ų138106.1 Ų106.172%0.72362%0.617SS**THydrogen-bonded Turntrans-87-13.3174.9-99125.1000113.8
37F35.4Very low37.3Very low121 Ų121104.8 Ų104.853%0.53161%0.613SS.*THydrogen-bonded Turntrans-99.4-12.8-179.6-73.6-85.1000114.2L31 N39 C40 A41L31-F37 HydrophobicContact CD2-CE2 3.67Å; L31-F37 HydrophobicContact CD2-CZ 4.07Å; F37-N39 PolarHBondContact O-N 3.06Å; F37-C40 PolarHBondContact O-N 2.91Å; F37-C40 VanDerWaalsContact O-N 3.13Å; F37-A41 WeakPolarHBondContact O-CB 3.49Å; F37-A41 PolarHBondContact O-N 2.78Å
38A35.1Very low36.9Very low64 Ų64104.7 Ų104.753%0.52961%0.609SS.*THydrogen-bonded Turntrans-60.9-28.4-179.900000113.2
39N34.3Very low37Very low156 Ų156105.4 Ų105.483%0.83460%0.595SS**THydrogen-bonded Turntrans-90-5.1179.8-69.6-25.2000114.6F37F37-N39 PolarHBondContact O-N 3.06Å
40C32.9Very low37Very low80 Ų80100 Ų10054%0.54157%0.571SS.*THydrogen-bonded Turntrans-109.1-1.8174-98.90000113.5F37F37-C40 PolarHBondContact O-N 2.91Å; F37-C40 VanDerWaalsContact O-N 3.13Å
41A34.6Very low37.4Very low75 Ų75100.5 Ų100.562%0.6255%0.552SS**  trans-870.8-172.300000115.1F37 G43F37-A41 WeakPolarHBondContact O-CB 3.49Å; F37-A41 PolarHBondContact O-N 2.78Å; A41-G43 PolarHBondContact O-N 2.82Å
42A34.8Very low37.5Very low90 Ų90102.2 Ų102.274%0.74455%0.551SS**SBendtrans-80.385.7174.600000111
43G37.1Very low37.6Very low39 Ų3996.8 Ų96.840%0.40253%0.532SS..SBendtrans111.714159.500000118.3A41A41-G43 PolarHBondContact O-N 2.82Å
44K39.9Very low37.9Very low132 Ų13298.3 Ų98.357%0.57453%0.53SS*.  trans-101.1112.1179.9-67176.4-176.9169.90111.5
45S44.6Very low38.1Very low22 Ų22100.4 Ų100.415%0.15453%0.529CS..  trans-41.1141.4169.7169.90000112.5L47 N48 E94S45-L47 PolarHBondContact O-N 2.97Å; S45-L47 PolarHBondContact OG-N 2.84Å; S45-N48 PolarHBondContact O-N 2.81Å; S45-E94 WeakPolarHBondContact CB-OE2 3.4Å; S45-E94 PolarHBondContact OG-OE2 3.49Å
46R35.7Very low38.2Very low182 Ų18299.8 Ų99.869%0.68752%0.522SS*.Hα-helixtrans-45.2-31.3172.3-109.517284170.70.7112.1I49 L50 E71R46-I49 PolarHBondContact O-N 3.05Å; R46-L50 VanDerWaalsContact O-CG 3.31Å; R46-L50 WeakPolarHBondContact O-CG 3.37Å; R46-L50 PolarHBondContact O-N 3.24Å; R46-E71 IonicContact NH2-OE2 3.67Å
47L39.4Very low38.4Very low77 Ų7795.6 Ų95.640%0.40351%0.507SS..Hα-helixtrans-69.3-31.4178.1-87.5146.4000114.7S45 L50 R51S45-L47 PolarHBondContact O-N 2.97Å; S45-L47 PolarHBondContact OG-N 2.84Å; L47-L50 HydrophobicContact CD2-CD1 4.49Å; L47-L50 WeakPolarHBondContact O-CB 3.33Å; L47-L50 PolarHBondContact O-N 3.27Å; L47-R51 PolarHBondContact O-N 2.82Å
48N38Very low38.7Very low44 Ų4498.2 Ų98.224%0.23551%0.514CS..Hα-helixtrans-76.8-30.5176-85-16.9000112S45 L50 R51 Y52S45-N48 PolarHBondContact O-N 2.81Å; N48-L50 VanDerWaalsContact C-N 3.29Å; N48-L50 PolarHBondContact O-N 3.06Å; N48-R51 PolarHBondContact O-N 2.75Å; N48-Y52 PolarHBondContact O-N 2.89Å; N48-Y52 VanDerWaalsContact O-N 3.1Å
49I39.8Very low39.1Very low90 Ų9099.8 Ų99.846%0.46252%0.521SS..Hα-helixtrans-60.9-42.4168.8-61.5174.1000109.7R46 R51 Y52 N53R46-I49 PolarHBondContact O-N 3.05Å; I49-R51 VanDerWaalsContact C-N 3.31Å; I49-R51 PolarHBondContact O-N 3.22Å; I49-Y52 PolarHBondContact O-N 3.3Å; I49-N53 PolarHBondContact O-N 2.96Å; I49-N53 VanDerWaalsContact O-N 3.1Å
50L39.5Very low39.4Very low55 Ų5599.2 Ų99.229%0.28852%0.518SS..Hα-helixtrans-63.6-35.1177.8-66.6173.5000113.3Y25 R46 L47 N48 W54Y25-L50 HydrophobicContact CD1-CD2 3.46Å; Y25-L50 VanDerWaalsContact CD1-CD2 3.46Å; Y25-L50 HydrophobicContact CE1-CD1 3.75Å; Y25-L50 HydrophobicContact CE1-CD2 3.27Å; Y25-L50 HydrophobicContact CE1-CG 4.15Å; R46-L50 VanDerWaalsContact O-CG 3.31Å; R46-L50 WeakPolarHBondContact O-CG 3.37Å; R46-L50 PolarHBondContact O-N 3.24Å; L47-L50 HydrophobicContact CD2-CD1 4.49Å; L47-L50 WeakPolarHBondContact O-CB 3.33Å; L47-L50 PolarHBondContact O-N 3.27Å; N48-L50 VanDerWaalsContact C-N 3.29Å; N48-L50 PolarHBondContact O-N 3.06Å; L50-W54 WeakPolarHBondContact O-CB 3.29Å; L50-W54 PolarHBondContact O-N 3.46Å
51R43.1Very low39.6Very low77 Ų77105.7 Ų105.729%0.29153%0.531SS..Hα-helixtrans-77.3-34.7-178.5-147173.8-175.2176.6-2.8112.8L47 N48 I49 L55 D95 C97 G435L47-R51 PolarHBondContact O-N 2.82Å; N48-R51 PolarHBondContact O-N 2.75Å; I49-R51 VanDerWaalsContact C-N 3.31Å; I49-R51 PolarHBondContact O-N 3.22Å; R51-L55 PolarHBondContact O-N 2.9Å; R51-D95 IonicContact NH1-OD1 3.01Å; R51-C97 VanDerWaalsContact CZ-SG 3.58Å; R51-C97 PolarHBondContact NH1-SG 2.66Å; R51-C97 PolarHBondContact NH2-SG 3.47Å; R51-G435 PolarHBondContact NH2-O 3.19Å
52Y38.9Very low39.9Very low168 Ų168108.7 Ų108.766%0.65954%0.536SS*.Hα-helixtrans-71.2-42.3177.1-136-91.1000111.5N48 I49 W54 L55 Q56N48-Y52 PolarHBondContact O-N 2.89Å; N48-Y52 VanDerWaalsContact O-N 3.1Å; I49-Y52 PolarHBondContact O-N 3.3Å; Y52-W54 VanDerWaalsContact C-N 3.28Å; Y52-W54 PolarHBondContact O-N 3.45Å; Y52-L55 PolarHBondContact O-N 3.38Å; Y52-Q56 PolarHBondContact O-N 3.16Å
53N39.4Very low40Very low98 Ų98113.9 Ų113.952%0.52454%0.542SS..Hα-helixtrans-62.8-35.2174.9-71.5-7.6000112.1I49 A57I49-N53 PolarHBondContact O-N 2.96Å; I49-N53 VanDerWaalsContact O-N 3.1Å; N53-A57 VanDerWaalsContact O-CB 3.3Å; N53-A57 WeakPolarHBondContact O-CB 3.45Å; N53-A57 PolarHBondContact O-N 3.37Å
54W38.5Very low40.4Very low132 Ų132120 Ų12050%0.557%0.566SS.*Hα-helixtrans-70.7-31.3179.7-153.972000113.7L50 Y52 W58L50-W54 WeakPolarHBondContact O-CB 3.29Å; L50-W54 PolarHBondContact O-N 3.46Å; Y52-W54 VanDerWaalsContact C-N 3.28Å; Y52-W54 PolarHBondContact O-N 3.45Å; W54-W58 HydrophobicContact CH2-CH2 4.26Å; W54-W58 AromaticContact CH2-CZ2 3.54Å; W54-W58 HydrophobicContact CH2-CZ2 3.54Å; W54-W58 AromaticContact CZ2-CZ2 3.76Å; W54-W58 HydrophobicContact CZ2-CZ2 3.76Å; W54-W58 HydrophobicContact CZ3-CZ2 4.14Å
55L43.2Very low40.7Very low123 Ų123117.9 Ų117.964%0.64456%0.561SS**Hα-helixtrans-80.2-32.5-179.9-101.3149.9000113.2R51 Y52R51-L55 PolarHBondContact O-N 2.9Å; Y52-L55 PolarHBondContact O-N 3.38Å
56Q40.1Very low40.8Very low132 Ų132124.2 Ų124.262%0.61759%0.593SS**Hα-helixtrans-82.2-29.5177.2-72.2-143.8-17.900113.8Y52 W58 S59Y52-Q56 PolarHBondContact O-N 3.16Å; Q56-W58 PolarHBondContact O-N 3.24Å; Q56-S59 PolarHBondContact O-N 2.93Å; Q56-S59 VanDerWaalsContact O-N 3.14Å; Q56-S59 PolarHBondContact O-OG 3.15Å
57A43.1Very low41.8Very low50 Ų50123.7 Ų123.741%0.41359%0.591SS.*THydrogen-bonded Turntrans-66.1-8.6178.500000114.5N53N53-A57 VanDerWaalsContact O-CB 3.3Å; N53-A57 WeakPolarHBondContact O-CB 3.45Å; N53-A57 PolarHBondContact O-N 3.37Å
58W41.1Very low42.4Very low177 Ų177124.2 Ų124.267%0.6759%0.594SS**THydrogen-bonded Turntrans-88.9-12.5177-77.240.9000113.2W54 Q56W54-W58 HydrophobicContact CH2-CH2 4.26Å; W54-W58 AromaticContact CH2-CZ2 3.54Å; W54-W58 HydrophobicContact CH2-CZ2 3.54Å; W54-W58 AromaticContact CZ2-CZ2 3.76Å; W54-W58 HydrophobicContact CZ2-CZ2 3.76Å; W54-W58 HydrophobicContact CZ3-CZ2 4.14Å; Q56-W58 PolarHBondContact O-N 3.24Å
59S43.7Very low43.3Very low97 Ų97127.8 Ų127.868%0.67861%0.609SS**THydrogen-bonded Turntrans-101.1-15.4-174.716.10000114.4Q56Q56-S59 PolarHBondContact O-N 2.93Å; Q56-S59 VanDerWaalsContact O-N 3.14Å; Q56-S59 PolarHBondContact O-OG 3.15Å
60D41.2Very low44.5Very low143 Ų143129.8 Ų129.877%0.76561%0.611SS**  trans-120.294.6178.4-123-14.4000108.2
61R35.8Very low45.9Very low217 Ų217130.7 Ų130.782%0.81961%0.614SS**  trans-10992.8170.5-78.5-162.4-120.7-161.4-0.2107.7
62D40.1Very low47.4Very low137 Ų137131 Ų13173%0.73362%0.624SS**  trans-155.2142.9148.4-79.9-41.9000107.3
63F38.5Very low49.1Very low199 Ų199125.2 Ų125.287%0.87360%0.604SS**SBendtrans96.4122.5169.8-55-76.6000120.2D65F63-D65 PolarHBondContact O-N 2.96Å
64D44.9Very low51.1Low167 Ų167124.9 Ų124.989%0.89360%0.598SS**  trans-53.792178.5-65.6-71.1000116.9
65D46.3Very low53.2Low88 Ų88120.5 Ų120.547%0.47159%0.586SS.*  trans-135.595.4160.6-157.84.2000112.3F63 R67F63-D65 PolarHBondContact O-N 2.96Å; D65-R67 VanDerWaalsContact C-N 3.25Å; D65-R67 PolarHBondContact O-N 3.49Å
66D47.5Very low55.2Low155 Ų155121 Ų12183%0.82958%0.579SS**  trans-82.117.4-176-100.4-19.6000114.1L68D66-L68 VanDerWaalsContact C-N 3.31Å; D66-L68 PolarHBondContact O-N 2.96Å
67R55.4Low57.6Low171 Ų171115.6 Ų115.665%0.64556%0.555SS**  trans-8269.6-179.4-68.9-179.5175.3178.62.9112.7D65 E69D65-R67 VanDerWaalsContact C-N 3.25Å; D65-R67 PolarHBondContact O-N 3.49Å; R67-E69 PolarHBondContact O-N 3.38Å
68L51.6Low59.9Low88 Ų88113.3 Ų113.346%0.46154%0.536SS..EExtended strand (participates in β ladder)trans-71103.3173.5-72.7157.2000111.8N24 D66N24-L68 WeakPolarHBondContact ND2-CD2 3.4Å; D66-L68 VanDerWaalsContact C-N 3.31Å; D66-L68 PolarHBondContact O-N 2.96Å
69E58.5Low62.4Low120 Ų120107.2 Ų107.256%0.56151%0.514SS*.EExtended strand (participates in β ladder)trans-89.3128.9174.4-67.3-171.8165.500111.6N24 Y25 R67N24-E69 PolarHBondContact OD1-O 2.87Å; Y25-E69 PolarHBondContact N-O 3.14Å; Y25-E69 PolarHBondContact O-N 3.1Å; R67-E69 PolarHBondContact O-N 3.38Å
70W64.9Low65Low131 Ų131102.8 Ų102.850%0.49648%0.483SS..EExtended strand (participates in β ladder)trans-111127.1176.5-63.485.1000111.3K22 V23 N24K22-W70 HydrophobicContact CD-CD2 4.2Å; K22-W70 HydrophobicContact CD-CE3 3.77Å; K22-W70 HydrophobicContact CD-CZ3 4.32Å; K22-W70 VanDerWaalsContact CE-CD2 3.45Å; K22-W70 VanDerWaalsContact CE-CG 3.43Å; K22-W70 HydrophobicContact CG-CB 4.45Å; K22-W70 HydrophobicContact CG-CD2 4.47Å; K22-W70 HydrophobicContact CG-CE3 3.78Å; K22-W70 HydrophobicContact CG-CZ3 4.47Å; V23-W70 CarbonylContact O-C 3.53Å; V23-W70 WeakPolarHBondContact O-CA 3.48Å; N24-W70 HydrophobicContact CB-CD2 4.22Å; N24-W70 HydrophobicContact CB-CE3 3.72Å; N24-W70 HydrophobicContact CB-CH2 3.9Å; N24-W70 HydrophobicContact CB-CZ2 4.34Å; N24-W70 HydrophobicContact CB-CZ3 3.57Å
71E68.2Low67.6Low74 Ų7496 Ų9635%0.34645%0.447SS..EExtended strand (participates in β ladder)trans-109.6143.5169.7-177.4176.1158.800110.6V23 Y25 R46 I73V23-E71 PolarHBondContact N-O 3.22Å; V23-E71 PolarHBondContact O-N 3.34Å; Y25-E71 HydrophobicContact CD2-CB 4.1Å; Y25-E71 HydrophobicContact CE2-CB 3.21Å; Y25-E71 HydrophobicContact CE2-CG 4.12Å; Y25-E71 WeakPolarHBondContact CE2-OE2 3.43Å; Y25-E71 VanDerWaalsContact OH-CD 3.3Å; Y25-E71 PolarHBondContact OH-OE2 2.89Å; R46-E71 IonicContact NH2-OE2 3.67Å; E71-I73 HydrophobicContact CG-CG1 4.21Å
72T75.4Confident70.5Confident83 Ų8388 Ų8851%0.50942%0.423SS..EExtended strand (participates in β ladder)trans-100.9108.5171.8-58.10000108.8L20 K21L20-T72 HydrophobicContact CB-CG2 3.74Å; L20-T72 HydrophobicContact CD1-CG2 4.45Å; L20-T72 HydrophobicContact CD2-CG2 4.21Å; L20-T72 HydrophobicContact CG-CG2 4.33Å; K21-T72 CarbonylContact O-C 3.47Å; K21-T72 WeakPolarHBondContact O-CA 3.49Å
73I74.5Confident73.3Confident48 Ų4883.1 Ų83.125%0.24640%0.396CS..EExtended strand (participates in β ladder)trans-93.4134.4-178.8-52.6-176.7000109.2K21 V23 E71K21-I73 PolarHBondContact N-O 2.79Å; K21-I73 PolarHBondContact O-N 3.45Å; V23-I73 HydrophobicContact CB-CD1 4.04Å; V23-I73 HydrophobicContact CB-CG1 4.36Å; V23-I73 HydrophobicContact CG1-CD1 4.4Å; V23-I73 HydrophobicContact CG2-CB 4.45Å; V23-I73 HydrophobicContact CG2-CD1 3.62Å; V23-I73 HydrophobicContact CG2-CG1 3.93Å; E71-I73 HydrophobicContact CG-CG1 4.21Å
74K81.6Confident76Confident90 Ų9079.3 Ų79.339%0.39138%0.381SS..EExtended strand (participates in β ladder)trans-82.6118.3173.1-175.5176.4175.4170.90109.9E9 V18 L20E9-K74 WeakPolarHBondContact OE1-CE 3.34Å; E9-K74 IonicContact OE1-NZ 2.64Å; E9-K74 PolarHBondContact OE1-NZ 2.87Å; E9-K74 IonicContact OE2-NZ 3.82Å; V18-K74 HydrophobicContact CG1-CD 4Å; V18-K74 HydrophobicContact CG1-CG 3.51Å; L20-K74 HydrophobicContact CD2-CB 4.22Å; L20-K74 HydrophobicContact CD2-CG 4.44Å
75V81.6Confident78.4Confident41 Ų4173.2 Ų73.225%0.24835%0.347CS..EExtended strand (participates in β ladder)trans-107.1118.1178.1-177.40000108.3Y19 K21 V77Y19-V75 PolarHBondContact N-O 2.81Å; Y19-V75 PolarHBondContact O-N 2.99Å; K21-V75 HydrophobicContact CB-CG2 3.97Å; V75-V77 HydrophobicContact CG1-CG2 4.24Å
76R86.1Confident80.8Confident133 Ų13369.2 Ų69.250%0.50233%0.325SS..EExtended strand (participates in β ladder)trans-95.3134.8174.4-64-173.2-179106.3-4.8109.6E9 Y16 V18E9-R76 IonicContact OE2-CZ 2.79Å; E9-R76 IonicContact OE2-NE 2.9Å; E9-R76 PolarHBondContact OE2-NE 3.28Å; E9-R76 IonicContact OE2-NH2 2.7Å; Y16-R76 HydrophobicContact CD1-CB 3.78Å; Y16-R76 HydrophobicContact CE1-CB 4.33Å; Y16-R76 HydrophobicContact CG-CB 4.14Å; V18-R76 HydrophobicContact CG2-CG 4.5Å
77V88.9Confident83Confident18 Ų1861.9 Ų61.911%0.10929%0.286CS..EExtended strand (participates in β ladder)trans-128.7122.9179.8179.40000108.2Y16 A17 Y19 V75 K79 R489Y16-V77 CarbonylContact C-O 3.53Å; Y16-V77 VanDerWaalsContact CA-O 3.31Å; Y16-V77 WeakPolarHBondContact CA-O 3.34Å; A17-V77 HydrophobicContact CB-CB 4.43Å; A17-V77 PolarHBondContact N-O 2.78Å; A17-V77 PolarHBondContact O-N 3.07Å; Y19-V77 HydrophobicContact CD2-CB 4.42Å; Y19-V77 HydrophobicContact CD2-CG2 3.82Å; Y19-V77 HydrophobicContact CE2-CB 4.08Å; Y19-V77 HydrophobicContact CE2-CG2 3.84Å; V75-V77 HydrophobicContact CG1-CG2 4.24Å; V77-K79 PolarHBondContact O-N 3.31Å; V77-R489 VanDerWaalsContact CG1-CZ 3.48Å
78I92.7Very high84.9Confident3 Ų355.3 Ų55.32%0.01526%0.263CS..EExtended strand (participates in β ladder)trans-63.7124.1178-62.3-177.7000109.9V14 Y16 A81 D89 V485 R489V14-I78 HydrophobicContact CG2-CD1 4.29Å; V14-I78 HydrophobicContact CG2-CG1 3.97Å; V14-I78 HydrophobicContact CG2-CG2 4.1Å; Y16-I78 HydrophobicContact CD1-CG1 3.88Å; Y16-I78 HydrophobicContact CE1-CD1 4.27Å; Y16-I78 HydrophobicContact CE1-CG1 3.47Å; Y16-I78 VanDerWaalsContact CE1-CG1 3.47Å; I78-A81 HydrophobicContact CG2-CB 3.69Å; I78-D89 HydrophobicContact CD1-CB 3.55Å; I78-V485 HydrophobicContact CG2-CB 3.95Å; I78-V485 HydrophobicContact CG2-CG1 4.2Å; I78-V485 HydrophobicContact CG2-CG2 3.69Å; I78-R489 PolarHBondContact O-NH2 2.86Å
79K94Very high86.7Confident49 Ų4952 Ų5221%0.21325%0.246CC..EExtended strand (participates in β ladder)trans-95.3-42.1169.3-64179.8100.6168.10111.7D8 H15 A17 V77 V485 D486D8-K79 WeakPolarHBondContact OD1-CD 3.32Å; D8-K79 IonicContact OD1-NZ 2.75Å; D8-K79 PolarHBondContact OD1-NZ 2.99Å; D8-K79 IonicContact OD2-NZ 3.31Å; D8-K79 PolarHBondContact OD2-NZ 3.25Å; H15-K79 HydrophobicContact CB-CB 4.49Å; H15-K79 PolarHBondContact O-N 3.4Å; A17-K79 HydrophobicContact CB-CD 3.67Å; A17-K79 HydrophobicContact CB-CG 3.61Å; V77-K79 PolarHBondContact O-N 3.31Å; K79-V485 WeakPolarHBondContact O-CA 3.38Å; K79-V485 WeakPolarHBondContact O-CB 3.5Å; K79-V485 PolarHBondContact O-N 3.27Å; K79-D486 WeakPolarHBondContact CB-OD2 3.46Å; K79-D486 VanDerWaalsContact CE-OD2 3.31Å; K79-D486 WeakPolarHBondContact CE-OD2 3.4Å; K79-D486 WeakPolarHBondContact CG-OD2 3.32Å; K79-D486 PolarHBondContact O-N 3.03Å
80A96.6Very high88Confident3 Ų346.4 Ų46.43%0.02522%0.22CC..EExtended strand (participates in β ladder)trans-147.7146.7175.800000110.3V14 H15 T478 L482 I483V14-A80 CarbonylContact C-O 3.31Å; V14-A80 WeakPolarHBondContact CA-O 3.27Å; V14-A80 WeakPolarHBondContact CG2-O 3.47Å; H15-A80 HydrophobicContact CB-CB 4.26Å; H15-A80 PolarHBondContact N-O 3.43Å; H15-A80 PolarHBondContact O-N 2.95Å; A80-T478 HydrophobicContact CB-CG2 3.52Å; A80-L482 HydrophobicContact CB-CB 3.93Å; A80-L482 HydrophobicContact CB-CD1 4.41Å; A80-I483 CarbonylContact C-O 3.49Å; A80-I483 WeakPolarHBondContact CA-O 3.49Å; A80-I483 WeakPolarHBondContact CB-O 3.08Å
81A96.9Very high89.1Confident0 Ų040.2 Ų40.20%020%0.196CC..EExtended strand (participates in β ladder)trans-157.4162.8-178.700000112.3D13 V14 I78 K85 W86 I483 V485D13-A81 CarbonylContact O-C 3.58Å; D13-A81 WeakPolarHBondContact O-CA 3.31Å; V14-A81 HydrophobicContact CB-CB 4.24Å; V14-A81 HydrophobicContact CG2-CB 4.1Å; I78-A81 HydrophobicContact CG2-CB 3.69Å; A81-K85 HydrophobicContact CB-CB 4.25Å; A81-K85 HydrophobicContact CB-CG 4.47Å; A81-W86 HydrophobicContact CB-CB 4.23Å; A81-I483 PolarHBondContact N-O 2.94Å; A81-I483 WeakPolarHBondContact O-CB 3.33Å; A81-I483 PolarHBondContact O-N 3.4Å; A81-V485 HydrophobicContact CB-CG2 4.47Å
82T97.4Very high89.9Confident50 Ų5041.3 Ų41.331%0.30720%0.204SC..  trans-65.6156.1160.460.70000110.1D13 Q84 K85 W86 L482D13-T82 HydrophobicContact CB-CG2 4.22Å; D13-T82 PolarHBondContact O-N 2.83Å; T82-Q84 PolarHBondContact O-N 2.74Å; T82-K85 PolarHBondContact O-N 2.79Å; T82-K85 WeakPolarHBondContact OG1-CB 3.42Å; T82-K85 PolarHBondContact OG1-N 2.83Å; T82-W86 PolarHBondContact O-N 2.84Å; T82-L482 HydrophobicContact CG2-CD2 3.74Å
83L97.1Very high90.1Very high34 Ų3440 Ų4018%0.17819%0.192CC..Hα-helixtrans-55.3-43.5176.2-177.962.2000111.4K85 W86 V87 A114 D118 V119 I122 I483L83-K85 PolarHBondContact O-N 3.36Å; L83-W86 PolarHBondContact O-N 2.65Å; L83-V87 HydrophobicContact CD1-CG2 4.31Å; L83-V87 VanDerWaalsContact O-CG2 3.29Å; L83-V87 WeakPolarHBondContact O-CG2 3.34Å; L83-V87 PolarHBondContact O-N 3.08Å; L83-A114 HydrophobicContact CD1-CB 3.65Å; L83-A114 HydrophobicContact CD2-CB 3.63Å; L83-A114 HydrophobicContact CG-CB 4.29Å; L83-D118 HydrophobicContact CD2-CB 3.86Å; L83-V119 HydrophobicContact CD1-CG2 4.37Å; L83-I122 HydrophobicContact CB-CD1 4.32Å; L83-I122 HydrophobicContact CD2-CD1 3.81Å; L83-I122 HydrophobicContact CG-CD1 3.65Å; L83-I483 HydrophobicContact CB-CD1 3.92Å; L83-I483 HydrophobicContact CD1-CD1 4.18Å
84Q96.4Very high90Very high119 Ų11941.9 Ų41.956%0.55620%0.2SC*.Hα-helixtrans-57.5-49.9177.5-175.7175.64.400111.6T82 W86 V87 L88 I122T82-Q84 PolarHBondContact O-N 2.74Å; Q84-W86 PolarHBondContact O-N 3.33Å; Q84-V87 PolarHBondContact O-N 2.91Å; Q84-L88 HydrophobicContact CG-CD1 4.08Å; Q84-L88 VanDerWaalsContact O-CG 3.26Å; Q84-L88 WeakPolarHBondContact O-CG 3.21Å; Q84-L88 PolarHBondContact O-N 3.06Å; Q84-I122 HydrophobicContact CB-CD1 4.45Å; Q84-I122 HydrophobicContact CG-CG2 4.2Å
85K95.1Very high89.7Confident39 Ų3938.8 Ų38.817%0.1719%0.188CC..Hα-helixtrans-67.7-36.9-177.7-172.653.3163.8-110.50112.6D13 V14 Y16 A81 T82 L83 L88 D89D13-K85 WeakPolarHBondContact OD2-CD 3.39Å; D13-K85 IonicContact OD2-NZ 3.15Å; D13-K85 PolarHBondContact OD2-NZ 2.92Å; V14-K85 HydrophobicContact CB-CG 3.79Å; V14-K85 HydrophobicContact CG1-CG 4.04Å; V14-K85 HydrophobicContact CG2-CG 4.29Å; Y16-K85 WeakPolarHBondContact OH-CE 3.28Å; A81-K85 HydrophobicContact CB-CB 4.25Å; A81-K85 HydrophobicContact CB-CG 4.47Å; T82-K85 PolarHBondContact O-N 2.79Å; T82-K85 WeakPolarHBondContact OG1-CB 3.42Å; T82-K85 PolarHBondContact OG1-N 2.83Å; L83-K85 PolarHBondContact O-N 3.36Å; K85-L88 PolarHBondContact O-N 2.91Å; K85-D89 PolarHBondContact O-N 3.47Å
86W95.6Very high89.5Confident5 Ų540.9 Ų40.92%0.01920%0.198CC..Hα-helixtrans-66.4-40.3176.3-16921.1000112.4A81 T82 L83 Q84 D89 F106 V113 I483 V485 R488A81-W86 HydrophobicContact CB-CB 4.23Å; T82-W86 PolarHBondContact O-N 2.84Å; L83-W86 PolarHBondContact O-N 2.65Å; Q84-W86 PolarHBondContact O-N 3.33Å; W86-D89 WeakPolarHBondContact O-CB 3.06Å; W86-D89 PolarHBondContact O-N 2.86Å; W86-F106 AromaticContact CD2-CD2 3.67Å; W86-F106 HydrophobicContact CD2-CD2 3.67Å; W86-F106 AromaticContact CD2-CE2 3.9Å; W86-F106 HydrophobicContact CD2-CE2 3.9Å; W86-F106 AromaticContact CE2-CD2 3.64Å; W86-F106 AromaticContact CE3-CD2 3.99Å; W86-F106 HydrophobicContact CE3-CD2 3.99Å; W86-F106 AromaticContact CE3-CE2 3.86Å; W86-F106 HydrophobicContact CE3-CE2 3.86Å; W86-F106 HydrophobicContact CG-CD2 4.09Å; W86-F106 HydrophobicContact CG-CE2 4.28Å; W86-F106 HydrophobicContact CH2-CD2 4.23Å; W86-F106 AromaticContact CZ2-CD2 3.95Å; W86-F106 HydrophobicContact CZ2-CD2 3.95Å; W86-F106 HydrophobicContact CZ3-CD2 4.25Å; W86-F106 HydrophobicContact CZ3-CE2 4.26Å; W86-F106 AromaticContact NE1-CD2 4Å; W86-V113 HydrophobicContact CZ3-CG2 4.04Å; W86-I483 HydrophobicContact CE3-CD1 4.45Å; W86-I483 HydrophobicContact CE3-CG2 4.25Å; W86-I483 HydrophobicContact CZ3-CG2 4.16Å; W86-V485 HydrophobicContact CD2-CG2 3.96Å; W86-V485 HydrophobicContact CE3-CG2 4.45Å; W86-V485 HydrophobicContact CG-CG2 4.09Å; W86-V485 HydrophobicContact CZ2-CG1 4.28Å; W86-R488 HydrophobicContact CH2-CB 4.05Å; W86-R488 HydrophobicContact CH2-CG 3.8Å; W86-R488 HydrophobicContact CZ2-CB 4.24Å; W86-R488 HydrophobicContact CZ2-CG 4.42Å; W86-R488 HydrophobicContact CZ3-CG 4.44Å
87V95.7Very high88.9Confident0 Ų036.8 Ų36.80%019%0.189CC..Hα-helixtrans-63-47.1174.1170.30000110.9L83 Q84 D89 M90 F106 V119 I122 I123 W150L83-V87 HydrophobicContact CD1-CG2 4.31Å; L83-V87 VanDerWaalsContact O-CG2 3.29Å; L83-V87 WeakPolarHBondContact O-CG2 3.34Å; L83-V87 PolarHBondContact O-N 3.08Å; Q84-V87 PolarHBondContact O-N 2.91Å; V87-D89 VanDerWaalsContact C-N 3.27Å; V87-D89 PolarHBondContact O-N 3.03Å; V87-M90 HydrophobicContact CG1-CE 4.37Å; V87-M90 WeakPolarHBondContact O-CB 3.31Å; V87-M90 PolarHBondContact O-N 3.2Å; V87-F106 HydrophobicContact CG2-CE1 4.49Å; V87-F106 HydrophobicContact CG2-CE2 3.68Å; V87-F106 HydrophobicContact CG2-CZ 3.49Å; V87-F106 VanDerWaalsContact CG2-CZ 3.49Å; V87-V119 HydrophobicContact CG2-CG1 4.16Å; V87-I122 HydrophobicContact CB-CG2 3.94Å; V87-I122 HydrophobicContact CG1-CB 4.3Å; V87-I122 HydrophobicContact CG1-CG2 3.66Å; V87-I122 HydrophobicContact CG2-CD1 4.26Å; V87-I123 HydrophobicContact CG1-CG1 3.85Å; V87-W150 HydrophobicContact CG1-CH2 3.73Å; V87-W150 HydrophobicContact CG1-CZ3 4.32Å; V87-W150 WeakPolarHBondContact O-CH2 2.92Å
88L94Very high88.5Confident33 Ų3337.2 Ų37.217%0.17319%0.194CC..Hα-helixtrans-65-28.4-179.9-68.4177.6000113Q84 K85 M90 V91 I92 D126 W150Q84-L88 HydrophobicContact CG-CD1 4.08Å; Q84-L88 VanDerWaalsContact O-CG 3.26Å; Q84-L88 WeakPolarHBondContact O-CG 3.21Å; Q84-L88 PolarHBondContact O-N 3.06Å; K85-L88 PolarHBondContact O-N 2.91Å; L88-M90 PolarHBondContact O-N 2.82Å; L88-V91 WeakPolarHBondContact O-CG1 3.45Å; L88-V91 PolarHBondContact O-N 3.17Å; L88-I92 HydrophobicContact CB-CD1 4.17Å; L88-I92 VanDerWaalsContact O-CG1 3.3Å; L88-I92 WeakPolarHBondContact O-CG1 3.28Å; L88-I92 PolarHBondContact O-N 3.26Å; L88-D126 HydrophobicContact CD2-CB 4.17Å; L88-W150 HydrophobicContact CD2-CZ2 4Å
89D89.5Confident88.2Confident19 Ų1938.4 Ų38.410%0.10220%0.199CC..Hα-helixtrans-57-34.1176.2-162.157.6000112I78 K85 W86 V87 V91 I92 M93I78-D89 HydrophobicContact CD1-CB 3.55Å; K85-D89 PolarHBondContact O-N 3.47Å; W86-D89 WeakPolarHBondContact O-CB 3.06Å; W86-D89 PolarHBondContact O-N 2.86Å; V87-D89 VanDerWaalsContact C-N 3.27Å; V87-D89 PolarHBondContact O-N 3.03Å; D89-V91 VanDerWaalsContact C-N 3.28Å; D89-V91 PolarHBondContact O-N 2.76Å; D89-I92 PolarHBondContact O-N 3.4Å; D89-M93 WeakPolarHBondContact O-CG 3.43Å; D89-M93 PolarHBondContact O-N 2.92Å
90M86.5Confident87.9Confident3 Ų337 Ų372%0.01520%0.199CC..Hα-helixtrans-63.6-29.7177.1-65.6-169.5-76.100113.7V87 L88 R99 F106 F107 I153V87-M90 HydrophobicContact CG1-CE 4.37Å; V87-M90 WeakPolarHBondContact O-CB 3.31Å; V87-M90 PolarHBondContact O-N 3.2Å; L88-M90 PolarHBondContact O-N 2.82Å; M90-R99 WeakPolarHBondContact O-CD 3.06Å; M90-R99 VanDerWaalsContact O-CG 3.28Å; M90-R99 WeakPolarHBondContact O-CG 3.4Å; M90-F106 HydrophobicContact CE-CB 4.36Å; M90-F106 HydrophobicContact CE-CD1 3.51Å; M90-F106 HydrophobicContact CE-CD2 4.1Å; M90-F106 HydrophobicContact CE-CE1 3.77Å; M90-F106 HydrophobicContact CE-CE2 4.33Å; M90-F106 HydrophobicContact CE-CG 3.71Å; M90-F106 HydrophobicContact CE-CZ 4.19Å; M90-F106 HydrophobicContact SD-CB 3.68Å; M90-F106 HydrophobicContact SD-CD1 3.82Å; M90-F106 HydrophobicContact SD-CD2 4.44Å; M90-F106 HydrophobicContact SD-CG 3.71Å; M90-F107 HydrophobicContact CE-CE2 4.09Å; M90-F107 HydrophobicContact CE-CZ 4.33Å; M90-F107 HydrophobicContact SD-CD2 4.39Å; M90-F107 HydrophobicContact SD-CE2 3.9Å; M90-I153 HydrophobicContact CB-CD1 4.06Å
91V87.9Confident87.6Confident0 Ų040.3 Ų40.30%021%0.211CC..Hα-helixtrans-94.8-23.5179.4850000112.5L88 D89 M93 W145 K146 T149 W150L88-V91 WeakPolarHBondContact O-CG1 3.45Å; L88-V91 PolarHBondContact O-N 3.17Å; D89-V91 VanDerWaalsContact C-N 3.28Å; D89-V91 PolarHBondContact O-N 2.76Å; V91-M93 VanDerWaalsContact C-N 3.33Å; V91-W145 WeakPolarHBondContact O-CH2 3.35Å; V91-W145 WeakPolarHBondContact O-CZ3 3.27Å; V91-K146 HydrophobicContact CB-CG 4.47Å; V91-K146 HydrophobicContact CG1-CD 4.37Å; V91-K146 HydrophobicContact CG1-CG 4.07Å; V91-K146 HydrophobicContact CG2-CB 4.44Å; V91-K146 HydrophobicContact CG2-CG 3.55Å; V91-T149 HydrophobicContact CG2-CG2 3.76Å; V91-W150 HydrophobicContact CB-CD2 4.16Å; V91-W150 HydrophobicContact CB-CH2 4.01Å; V91-W150 HydrophobicContact CB-CZ2 3.53Å; V91-W150 HydrophobicContact CG1-CH2 4.25Å; V91-W150 HydrophobicContact CG1-CZ2 3.44Å; V91-W150 VanDerWaalsContact CG1-CZ2 3.44Å; V91-W150 HydrophobicContact CG2-CD2 3.95Å; V91-W150 HydrophobicContact CG2-CG 4.07Å; V91-W150 HydrophobicContact CG2-CZ2 4.16Å
92I83.7Confident87.3Confident97 Ų9741.2 Ų41.250%0.49722%0.216SC..Hα-helixtrans-75.8-26.5178.7-66.4165.1000111L88 D89 E94L88-I92 HydrophobicContact CB-CD1 4.17Å; L88-I92 VanDerWaalsContact O-CG1 3.3Å; L88-I92 WeakPolarHBondContact O-CG1 3.28Å; L88-I92 PolarHBondContact O-N 3.26Å; D89-I92 PolarHBondContact O-N 3.4Å; I92-E94 PolarHBondContact O-N 3.43Å
93M81.1Confident87.1Confident55 Ų5539.1 Ų39.127%0.27120%0.202SC..  trans-74.1107.7-173.8-75.3-66.8-55.600113.6D89 V91 A98 R99 L102D89-M93 WeakPolarHBondContact O-CG 3.43Å; D89-M93 PolarHBondContact O-N 2.92Å; V91-M93 VanDerWaalsContact C-N 3.33Å; M93-A98 HydrophobicContact CE-CB 3.69Å; M93-R99 VanDerWaalsContact O-CZ 3.29Å; M93-R99 PolarHBondContact O-NE 3.13Å; M93-R99 PolarHBondContact O-NH2 3.41Å; M93-R99 VanDerWaalsContact O-NH2 3.14Å; M93-L102 HydrophobicContact CB-CD1 4.1Å; M93-L102 HydrophobicContact CE-CD1 4.38Å; M93-L102 HydrophobicContact CG-CD1 3.5Å; M93-L102 VanDerWaalsContact CG-CD1 3.5Å; M93-L102 HydrophobicContact SD-CD1 4.44Å
94E71.8Confident87Confident88 Ų8839.1 Ų39.141%0.41120%0.201SC..  trans-70.9-35.2-176-63.9-177.6172.100114S45 I92 D96 R99 W145S45-E94 WeakPolarHBondContact CB-OE2 3.4Å; S45-E94 PolarHBondContact OG-OE2 3.49Å; I92-E94 PolarHBondContact O-N 3.43Å; E94-D96 PolarHBondContact O-N 2.8Å; E94-R99 PolarHBondContact O-NH2 2.79Å; E94-W145 HydrophobicContact CG-CH2 4.28Å
95D75.5Confident86.9Confident25 Ų2533.5 Ų33.513%0.13418%0.175CC..  trans-70.6114.8177.317336.8000110.8R51 C97 A98 R99R51-D95 IonicContact NH1-OD1 3.01Å; D95-C97 PolarHBondContact O-N 2.74Å; D95-C97 PolarHBondContact OD1-N 3.35Å; D95-A98 HydrophobicContact CB-CB 3.99Å; D95-A98 PolarHBondContact O-N 2.84Å; D95-A98 VanDerWaalsContact OD2-CB 3.27Å; D95-A98 WeakPolarHBondContact OD2-CB 3.46Å; D95-A98 PolarHBondContact OD2-N 2.8Å; D95-R99 WeakPolarHBondContact O-CB 3.4Å; D95-R99 PolarHBondContact O-N 2.67Å
96D76Confident86.9Confident85 Ų8531.6 Ų31.646%0.45517%0.167SC..Hα-helixtrans-59.2-31.2-179-66.5-38.1000112.4E94 R99 G100E94-D96 PolarHBondContact O-N 2.8Å; D96-R99 IonicContact OD1-CZ 2.67Å; D96-R99 IonicContact OD1-NH1 2.57Å; D96-R99 IonicContact OD1-NH2 2.69Å; D96-R99 PolarHBondContact OD1-NH2 2.78Å; D96-G100 PolarHBondContact O-N 2.87Å
97C74.2Confident86.9Confident47 Ų4731.4 Ų31.432%0.31817%0.166SC..Hα-helixtrans-73.1-47.9177.5-80.80000112.5R51 D95 R99 G100 Y101R51-C97 VanDerWaalsContact CZ-SG 3.58Å; R51-C97 PolarHBondContact NH1-SG 2.66Å; R51-C97 PolarHBondContact NH2-SG 3.47Å; D95-C97 PolarHBondContact O-N 2.74Å; D95-C97 PolarHBondContact OD1-N 3.35Å; C97-R99 VanDerWaalsContact C-N 3.28Å; C97-R99 PolarHBondContact O-N 2.9Å; C97-G100 PolarHBondContact O-N 2.89Å; C97-Y101 PolarHBondContact O-N 2.84Å; C97-Y101 VanDerWaalsContact O-N 3.09Å
98A79.9Confident86.8Confident27 Ų2731.8 Ų31.822%0.22317%0.168CC..Hα-helixtrans-58.8-42.2171.900000111.2M93 D95 G100 Y101 L102M93-A98 HydrophobicContact CE-CB 3.69Å; D95-A98 HydrophobicContact CB-CB 3.99Å; D95-A98 PolarHBondContact O-N 2.84Å; D95-A98 VanDerWaalsContact OD2-CB 3.27Å; D95-A98 WeakPolarHBondContact OD2-CB 3.46Å; D95-A98 PolarHBondContact OD2-N 2.8Å; A98-G100 VanDerWaalsContact C-N 3.32Å; A98-G100 PolarHBondContact O-N 3.04Å; A98-Y101 PolarHBondContact O-N 2.98Å; A98-L102 WeakPolarHBondContact O-CG 3.33Å; A98-L102 PolarHBondContact O-N 3.43Å
99R87.2Confident86.9Confident28 Ų2830.2 Ų30.211%0.10616%0.16CC..Hα-helixtrans-60.8-41.3175.6-162.8-177.8-43138.939.9112M90 M93 E94 D95 D96 C97 Y101 L102 F103 W145 T149M90-R99 WeakPolarHBondContact O-CD 3.06Å; M90-R99 VanDerWaalsContact O-CG 3.28Å; M90-R99 WeakPolarHBondContact O-CG 3.4Å; M93-R99 VanDerWaalsContact O-CZ 3.29Å; M93-R99 PolarHBondContact O-NE 3.13Å; M93-R99 PolarHBondContact O-NH2 3.41Å; M93-R99 VanDerWaalsContact O-NH2 3.14Å; E94-R99 PolarHBondContact O-NH2 2.79Å; D95-R99 WeakPolarHBondContact O-CB 3.4Å; D95-R99 PolarHBondContact O-N 2.67Å; D96-R99 IonicContact OD1-CZ 2.67Å; D96-R99 IonicContact OD1-NH1 2.57Å; D96-R99 IonicContact OD1-NH2 2.69Å; D96-R99 PolarHBondContact OD1-NH2 2.78Å; C97-R99 VanDerWaalsContact C-N 3.28Å; C97-R99 PolarHBondContact O-N 2.9Å; R99-Y101 PolarHBondContact O-N 2.75Å; R99-L102 PolarHBondContact O-N 2.82Å; R99-F103 VanDerWaalsContact O-CB 3.28Å; R99-F103 WeakPolarHBondContact O-CB 3.39Å; R99-F103 PolarHBondContact O-N 2.89Å; R99-W145 VanDerWaalsContact CZ-CZ2 3.44Å; R99-W145 VanDerWaalsContact NH2-CZ2 3.35Å; R99-T149 PolarHBondContact NH1-OG1 2.69Å; R99-T149 VanDerWaalsContact NH1-OG1 3.09Å
100G88Confident87.2Confident21 Ų2129.3 Ų29.322%0.21616%0.155CC..Hα-helixtrans-59.7-43.2174.800000112.9D96 C97 A98 E104D96-G100 PolarHBondContact O-N 2.87Å; C97-G100 PolarHBondContact O-N 2.89Å; A98-G100 VanDerWaalsContact C-N 3.32Å; A98-G100 PolarHBondContact O-N 3.04Å; G100-E104 PolarHBondContact O-N 2.9Å
101Y89.4Confident87.6Confident72 Ų7230.7 Ų30.728%0.28216%0.16SC..Hα-helixtrans-65.2-47173.9170.2-92.3000111.8C97 A98 R99 F103 E104 L105 R489 Y492C97-Y101 PolarHBondContact O-N 2.84Å; C97-Y101 VanDerWaalsContact O-N 3.09Å; A98-Y101 PolarHBondContact O-N 2.98Å; R99-Y101 PolarHBondContact O-N 2.75Å; Y101-F103 VanDerWaalsContact C-N 3.33Å; Y101-F103 PolarHBondContact O-N 2.63Å; Y101-E104 PolarHBondContact O-N 3.02Å; Y101-L105 HydrophobicContact CE1-CB 4.42Å; Y101-L105 HydrophobicContact CE1-CD2 3.96Å; Y101-L105 WeakPolarHBondContact O-CB 3.31Å; Y101-L105 PolarHBondContact O-N 2.57Å; Y101-R489 WeakPolarHBondContact OH-CG 3.28Å; Y101-Y492 AromaticContact CD2-CE1 3.84Å; Y101-Y492 HydrophobicContact CD2-CE1 3.84Å; Y101-Y492 AromaticContact CE2-CD1 3.85Å; Y101-Y492 HydrophobicContact CE2-CD1 3.85Å; Y101-Y492 AromaticContact CE2-CE1 3.5Å; Y101-Y492 HydrophobicContact CE2-CE1 3.5Å; Y101-Y492 VanDerWaalsContact CE2-CE1 3.5Å
102L91.7Very high87.8Confident19 Ų1931.8 Ų31.810%0.09917%0.169CC..Hα-helixtrans-63.8-38.1-179.9-69.7173.2000112.3M93 A98 R99 L105 F106M93-L102 HydrophobicContact CB-CD1 4.1Å; M93-L102 HydrophobicContact CE-CD1 4.38Å; M93-L102 HydrophobicContact CG-CD1 3.5Å; M93-L102 VanDerWaalsContact CG-CD1 3.5Å; M93-L102 HydrophobicContact SD-CD1 4.44Å; A98-L102 WeakPolarHBondContact O-CG 3.33Å; A98-L102 PolarHBondContact O-N 3.43Å; R99-L102 PolarHBondContact O-N 2.82Å; L102-L105 HydrophobicContact CD2-CD2 4.22Å; L102-L105 PolarHBondContact O-N 2.78Å; L102-F106 VanDerWaalsContact O-CB 3.24Å; L102-F106 WeakPolarHBondContact O-CB 3.38Å; L102-F106 PolarHBondContact O-N 2.96Å
103F93.6Very high88.3Confident6 Ų628.6 Ų28.63%0.02615%0.154CC..Hα-helixtrans-58.3-49.4172.6177.5-82000110.8R99 Y101 F107 I153 R156 Y161R99-F103 VanDerWaalsContact O-CB 3.28Å; R99-F103 WeakPolarHBondContact O-CB 3.39Å; R99-F103 PolarHBondContact O-N 2.89Å; Y101-F103 VanDerWaalsContact C-N 3.33Å; Y101-F103 PolarHBondContact O-N 2.63Å; F103-F107 HydrophobicContact CD1-CD2 4.14Å; F103-F107 AromaticContact CD2-CD2 3.6Å; F103-F107 HydrophobicContact CD2-CD2 3.6Å; F103-F107 AromaticContact CD2-CE2 3.55Å; F103-F107 HydrophobicContact CD2-CE2 3.55Å; F103-F107 AromaticContact CE1-CD2 3.94Å; F103-F107 HydrophobicContact CE1-CD2 3.94Å; F103-F107 AromaticContact CE2-CD2 3.39Å; F103-F107 HydrophobicContact CE2-CD2 3.39Å; F103-F107 AromaticContact CE2-CE2 3.28Å; F103-F107 HydrophobicContact CE2-CE2 3.28Å; F103-F107 HydrophobicContact CE2-CG 4.47Å; F103-F107 HydrophobicContact CE2-CZ 4.29Å; F103-F107 AromaticContact CG-CD2 3.96Å; F103-F107 HydrophobicContact CG-CD2 3.96Å; F103-F107 HydrophobicContact CG-CE2 4.35Å; F103-F107 AromaticContact CZ-CD2 3.55Å; F103-F107 HydrophobicContact CZ-CD2 3.55Å; F103-F107 AromaticContact CZ-CE2 3.87Å; F103-F107 HydrophobicContact CZ-CE2 3.87Å; F103-F107 HydrophobicContact CZ-CG 4.28Å; F103-F107 WeakPolarHBondContact O-CB 3.48Å; F103-F107 VanDerWaalsContact O-CD2 3.31Å; F103-F107 WeakPolarHBondContact O-CD2 3.12Å; F103-F107 PolarHBondContact O-N 2.79Å; F103-I153 HydrophobicContact CD2-CG1 4.33Å; F103-I153 HydrophobicContact CD2-CG2 4.38Å; F103-I153 HydrophobicContact CE2-CG2 4.16Å; F103-R156 VanDerWaalsContact CD1-CZ 3.41Å; F103-R156 VanDerWaalsContact CD1-NE 3.34Å; F103-R156 HydrophobicContact CE1-CB 4.48Å; F103-R156 VanDerWaalsContact CE1-CD 3.41Å; F103-R156 HydrophobicContact CE1-CG 3.68Å; F103-R156 HydrophobicContact CE2-CB 3.92Å; F103-R156 HydrophobicContact CE2-CG 3.99Å; F103-R156 HydrophobicContact CZ-CB 3.68Å; F103-R156 VanDerWaalsContact CZ-CD 3.42Å; F103-R156 HydrophobicContact CZ-CG 3.35Å; F103-Y161 AromaticContact CE1-CE2 3.83Å; F103-Y161 HydrophobicContact CE1-CE2 3.83Å; F103-Y161 HydrophobicContact CZ-CE2 4.17Å
104E93.4Very high89Confident34 Ų3426.5 Ų26.516%0.15915%0.146CC..Hα-helixtrans-68.8-41.1179.7-66.1-158.9-167.700112G100 Y101 F106 E108 R156 R160 Y492 K499G100-E104 PolarHBondContact O-N 2.9Å; Y101-E104 PolarHBondContact O-N 3.02Å; E104-F106 PolarHBondContact O-N 3.47Å; E104-E108 WeakPolarHBondContact O-CB 3.45Å; E104-E108 WeakPolarHBondContact O-CG 2.94Å; E104-E108 PolarHBondContact O-N 2.82Å; E104-R156 IonicContact OE1-NH2 3.72Å; E104-R156 PolarHBondContact OE1-NH2 3.4Å; E104-R160 IonicContact OE1-CZ 4Å; E104-R160 VanDerWaalsContact OE1-CZ 3.27Å; E104-R160 IonicContact OE1-NH1 3.73Å; E104-R160 PolarHBondContact OE1-NH1 3.21Å; E104-R160 IonicContact OE1-NH2 3.76Å; E104-R160 PolarHBondContact OE1-NH2 3.14Å; E104-R160 IonicContact OE2-CZ 2.9Å; E104-R160 IonicContact OE2-NH2 3.4Å; E104-R160 PolarHBondContact OE2-NH2 3.22Å; E104-Y492 VanDerWaalsContact C-CE2 3.48Å; E104-Y492 HydrophobicContact CB-CE2 3.8Å; E104-Y492 WeakPolarHBondContact CB-OH 3.46Å; E104-Y492 WeakPolarHBondContact O-CE2 3.46Å; E104-Y492 PolarHBondContact OE2-OH 3.08Å; E104-K499 IonicContact OE2-NZ 2.89Å; E104-K499 PolarHBondContact OE2-NZ 2.98Å
105L94.5Very high90.1Very high0 Ų029.1 Ų29.10%016%0.156CC..Hα-helixtrans-55.1-52.6173.5168.761.9000111.6Y101 L102 T109 R488 R489 Y492Y101-L105 HydrophobicContact CE1-CB 4.42Å; Y101-L105 HydrophobicContact CE1-CD2 3.96Å; Y101-L105 WeakPolarHBondContact O-CB 3.31Å; Y101-L105 PolarHBondContact O-N 2.57Å; L102-L105 HydrophobicContact CD2-CD2 4.22Å; L102-L105 PolarHBondContact O-N 2.78Å; L105-T109 PolarHBondContact O-N 2.67Å; L105-T109 PolarHBondContact O-OG1 2.77Å; L105-R488 WeakPolarHBondContact CD1-O 3.38Å; L105-R489 HydrophobicContact CD1-CB 4.4Å; L105-Y492 HydrophobicContact CB-CD1 4.02Å; L105-Y492 HydrophobicContact CB-CE1 4.35Å; L105-Y492 HydrophobicContact CB-CG 4.13Å; L105-Y492 HydrophobicContact CD1-CD1 4.04Å; L105-Y492 HydrophobicContact CD1-CG 3.76Å
106F96.2Very high91Very high0 Ų029.2 Ų29.20%016%0.157CC..Hα-helixtrans-62.7-57.7-177.9-178.8-89.2000110.6W86 V87 M90 L102 E104 E108 T109 Y110 V119W86-F106 AromaticContact CD2-CD2 3.67Å; W86-F106 HydrophobicContact CD2-CD2 3.67Å; W86-F106 AromaticContact CD2-CE2 3.9Å; W86-F106 HydrophobicContact CD2-CE2 3.9Å; W86-F106 AromaticContact CE2-CD2 3.64Å; W86-F106 AromaticContact CE3-CD2 3.99Å; W86-F106 HydrophobicContact CE3-CD2 3.99Å; W86-F106 AromaticContact CE3-CE2 3.86Å; W86-F106 HydrophobicContact CE3-CE2 3.86Å; W86-F106 HydrophobicContact CG-CD2 4.09Å; W86-F106 HydrophobicContact CG-CE2 4.28Å; W86-F106 HydrophobicContact CH2-CD2 4.23Å; W86-F106 AromaticContact CZ2-CD2 3.95Å; W86-F106 HydrophobicContact CZ2-CD2 3.95Å; W86-F106 HydrophobicContact CZ3-CD2 4.25Å; W86-F106 HydrophobicContact CZ3-CE2 4.26Å; W86-F106 AromaticContact NE1-CD2 4Å; V87-F106 HydrophobicContact CG2-CE1 4.49Å; V87-F106 HydrophobicContact CG2-CE2 3.68Å; V87-F106 HydrophobicContact CG2-CZ 3.49Å; V87-F106 VanDerWaalsContact CG2-CZ 3.49Å; M90-F106 HydrophobicContact CE-CB 4.36Å; M90-F106 HydrophobicContact CE-CD1 3.51Å; M90-F106 HydrophobicContact CE-CD2 4.1Å; M90-F106 HydrophobicContact CE-CE1 3.77Å; M90-F106 HydrophobicContact CE-CE2 4.33Å; M90-F106 HydrophobicContact CE-CG 3.71Å; M90-F106 HydrophobicContact CE-CZ 4.19Å; M90-F106 HydrophobicContact SD-CB 3.68Å; M90-F106 HydrophobicContact SD-CD1 3.82Å; M90-F106 HydrophobicContact SD-CD2 4.44Å; M90-F106 HydrophobicContact SD-CG 3.71Å; L102-F106 VanDerWaalsContact O-CB 3.24Å; L102-F106 WeakPolarHBondContact O-CB 3.38Å; L102-F106 PolarHBondContact O-N 2.96Å; E104-F106 PolarHBondContact O-N 3.47Å; F106-E108 VanDerWaalsContact C-N 3.28Å; F106-E108 PolarHBondContact O-N 2.87Å; F106-T109 PolarHBondContact O-N 2.87Å; F106-T109 VanDerWaalsContact O-N 3.07Å; F106-Y110 HydrophobicContact CD1-CD1 4.38Å; F106-Y110 HydrophobicContact CD1-CG 4.49Å; F106-Y110 HydrophobicContact CE1-CD1 4.14Å; F106-Y110 AromaticContact CE1-CG 3.96Å; F106-Y110 HydrophobicContact CE1-CG 3.96Å; F106-Y110 HydrophobicContact CZ-CG 4.14Å; F106-Y110 WeakPolarHBondContact O-CB 3.24Å; F106-Y110 WeakPolarHBondContact O-CD1 2.93Å; F106-Y110 PolarHBondContact O-N 2.67Å; F106-V119 HydrophobicContact CE1-CG1 3.79Å; F106-V119 HydrophobicContact CE1-CG2 4.28Å; F106-V119 HydrophobicContact CZ-CG1 3.84Å; F106-V119 HydrophobicContact CZ-CG2 3.84Å
107F95.3Very high91.9Very high0 Ų027.1 Ų27.10%015%0.146CC..Hα-helixtrans-72.6-15-173-74.8-72.9000114.5M90 F103 Y110 R111 I153 W157 Y161M90-F107 HydrophobicContact CE-CE2 4.09Å; M90-F107 HydrophobicContact CE-CZ 4.33Å; M90-F107 HydrophobicContact SD-CD2 4.39Å; M90-F107 HydrophobicContact SD-CE2 3.9Å; F103-F107 HydrophobicContact CD1-CD2 4.14Å; F103-F107 AromaticContact CD2-CD2 3.6Å; F103-F107 HydrophobicContact CD2-CD2 3.6Å; F103-F107 AromaticContact CD2-CE2 3.55Å; F103-F107 HydrophobicContact CD2-CE2 3.55Å; F103-F107 AromaticContact CE1-CD2 3.94Å; F103-F107 HydrophobicContact CE1-CD2 3.94Å; F103-F107 AromaticContact CE2-CD2 3.39Å; F103-F107 HydrophobicContact CE2-CD2 3.39Å; F103-F107 AromaticContact CE2-CE2 3.28Å; F103-F107 HydrophobicContact CE2-CE2 3.28Å; F103-F107 HydrophobicContact CE2-CG 4.47Å; F103-F107 HydrophobicContact CE2-CZ 4.29Å; F103-F107 AromaticContact CG-CD2 3.96Å; F103-F107 HydrophobicContact CG-CD2 3.96Å; F103-F107 HydrophobicContact CG-CE2 4.35Å; F103-F107 AromaticContact CZ-CD2 3.55Å; F103-F107 HydrophobicContact CZ-CD2 3.55Å; F103-F107 AromaticContact CZ-CE2 3.87Å; F103-F107 HydrophobicContact CZ-CE2 3.87Å; F103-F107 HydrophobicContact CZ-CG 4.28Å; F103-F107 WeakPolarHBondContact O-CB 3.48Å; F103-F107 VanDerWaalsContact O-CD2 3.31Å; F103-F107 WeakPolarHBondContact O-CD2 3.12Å; F103-F107 PolarHBondContact O-N 2.79Å; F107-Y110 HydrophobicContact CD1-CD1 4.32Å; F107-Y110 AromaticContact CD1-CE1 3.93Å; F107-Y110 HydrophobicContact CD1-CE1 3.93Å; F107-R111 PolarHBondContact O-NH1 2.94Å; F107-R111 PolarHBondContact O-NH2 2.88Å; F107-I153 HydrophobicContact CE2-CG2 3.97Å; F107-I153 HydrophobicContact CZ-CG2 4.06Å; F107-W157 AromaticContact CD1-CD1 3.73Å; F107-W157 HydrophobicContact CD1-CD2 4.22Å; F107-W157 HydrophobicContact CD1-CG 4.03Å; F107-W157 AromaticContact CD1-NE1 3.74Å; F107-W157 HydrophobicContact CE1-CB 4.16Å; F107-W157 AromaticContact CE1-CD1 3.6Å; F107-W157 AromaticContact CE1-CD2 3.33Å; F107-W157 HydrophobicContact CE1-CD2 3.33Å; F107-W157 AromaticContact CE1-CE2 3.47Å; F107-W157 VanDerWaalsContact CE1-CE2 3.47Å; F107-W157 AromaticContact CE1-CE3 3.88Å; F107-W157 HydrophobicContact CE1-CE3 3.88Å; F107-W157 AromaticContact CE1-CG 3.45Å; F107-W157 HydrophobicContact CE1-CG 3.45Å; F107-W157 VanDerWaalsContact CE1-CG 3.45Å; F107-W157 HydrophobicContact CE1-CZ2 4.12Å; F107-W157 HydrophobicContact CE1-CZ3 4.47Å; F107-W157 AromaticContact CE1-NE1 3.6Å; F107-W157 HydrophobicContact CZ-CB 4.17Å; F107-W157 AromaticContact CZ-CD2 3.89Å; F107-W157 HydrophobicContact CZ-CD2 3.89Å; F107-W157 HydrophobicContact CZ-CE3 4.11Å; F107-W157 AromaticContact CZ-CG 3.92Å; F107-W157 HydrophobicContact CZ-CG 3.92Å; F107-Y161 HydrophobicContact CB-CD2 3.76Å; F107-Y161 HydrophobicContact CB-CE1 4.4Å; F107-Y161 HydrophobicContact CB-CE2 3.23Å; F107-Y161 HydrophobicContact CD1-CD2 4.37Å; F107-Y161 HydrophobicContact CG-CD2 4.14Å; F107-Y161 AromaticContact CG-CE2 3.92Å; F107-Y161 HydrophobicContact CG-CE2 3.92Å
108E94.4Very high93Very high9 Ų928.2 Ų28.24%0.04215%0.149CC..Hα-helixtrans-85.8-14.9170.6-69.9-67.6171.100113.4E104 F106 Y161 Y264 Y492 I495 K499E104-E108 WeakPolarHBondContact O-CB 3.45Å; E104-E108 WeakPolarHBondContact O-CG 2.94Å; E104-E108 PolarHBondContact O-N 2.82Å; F106-E108 VanDerWaalsContact C-N 3.28Å; F106-E108 PolarHBondContact O-N 2.87Å; E108-Y161 WeakPolarHBondContact OE1-CE1 3.46Å; E108-Y161 PolarHBondContact OE1-OH 2.8Å; E108-Y264 WeakPolarHBondContact O-CB 3.22Å; E108-Y492 HydrophobicContact CB-CD2 3.84Å; E108-Y492 HydrophobicContact CB-CE2 4.16Å; E108-Y492 HydrophobicContact CG-CD2 4.1Å; E108-Y492 HydrophobicContact CG-CE2 3.9Å; E108-I495 HydrophobicContact CB-CG2 4.18Å; E108-I495 HydrophobicContact CG-CG2 4.13Å; E108-K499 HydrophobicContact CG-CD 4.34Å; E108-K499 WeakPolarHBondContact OE1-CD 3.38Å; E108-K499 WeakPolarHBondContact OE1-CE 3.36Å; E108-K499 IonicContact OE1-NZ 2.96Å; E108-K499 PolarHBondContact OE1-NZ 3.16Å
109T95.5Very high93.8Very high0 Ų027 Ų270%014%0.138CC..Hα-helixtrans-131.9-16.1-16866.70000116.1L105 F106 R111 A112 I495L105-T109 PolarHBondContact O-N 2.67Å; L105-T109 PolarHBondContact O-OG1 2.77Å; F106-T109 PolarHBondContact O-N 2.87Å; F106-T109 VanDerWaalsContact O-N 3.07Å; T109-R111 VanDerWaalsContact C-N 3.25Å; T109-R111 PolarHBondContact O-N 2.78Å; T109-A112 WeakPolarHBondContact O-CB 3.46Å; T109-A112 PolarHBondContact O-N 3.37Å; T109-I495 HydrophobicContact CG2-CD1 4.46Å
110Y96.1Very high94.2Very high0 Ų025.6 Ų25.60%013%0.133CC..G310 helixtrans-63.5-28.5-174.582.8-82000113.6F106 F107 A112 V113 A114 V119 D164F106-Y110 HydrophobicContact CD1-CD1 4.38Å; F106-Y110 HydrophobicContact CD1-CG 4.49Å; F106-Y110 HydrophobicContact CE1-CD1 4.14Å; F106-Y110 AromaticContact CE1-CG 3.96Å; F106-Y110 HydrophobicContact CE1-CG 3.96Å; F106-Y110 HydrophobicContact CZ-CG 4.14Å; F106-Y110 WeakPolarHBondContact O-CB 3.24Å; F106-Y110 WeakPolarHBondContact O-CD1 2.93Å; F106-Y110 PolarHBondContact O-N 2.67Å; F107-Y110 HydrophobicContact CD1-CD1 4.32Å; F107-Y110 AromaticContact CD1-CE1 3.93Å; F107-Y110 HydrophobicContact CD1-CE1 3.93Å; Y110-A112 PolarHBondContact O-N 2.81Å; Y110-A112 VanDerWaalsContact O-N 3.07Å; Y110-V113 VanDerWaalsContact O-CG2 3.28Å; Y110-V113 WeakPolarHBondContact O-CG2 3.2Å; Y110-V113 PolarHBondContact O-N 2.89Å; Y110-A114 HydrophobicContact CD2-CB 4.25Å; Y110-A114 PolarHBondContact O-N 2.75Å; Y110-V119 HydrophobicContact CD2-CG2 3.62Å; Y110-V119 HydrophobicContact CE2-CG2 3.78Å; Y110-V119 HydrophobicContact CG-CG2 4.47Å; Y110-D164 PolarHBondContact OH-OD1 2.78Å; Y110-D164 PolarHBondContact OH-OD2 2.84Å
111R94.1Very high94.7Very high32 Ų3226.1 Ų26.112%0.12113%0.133CC..G310 helixtrans-61.4-19.4-177.8-58.6177.3-170.670.611.7113.2F107 T109 V113 D164 Y264 F270F107-R111 PolarHBondContact O-NH1 2.94Å; F107-R111 PolarHBondContact O-NH2 2.88Å; T109-R111 VanDerWaalsContact C-N 3.25Å; T109-R111 PolarHBondContact O-N 2.78Å; R111-V113 PolarHBondContact O-N 2.78Å; R111-D164 IonicContact CZ-OD1 2.89Å; R111-D164 IonicContact CZ-OD2 2.78Å; R111-D164 IonicContact NE-OD1 2.58Å; R111-D164 PolarHBondContact NE-OD1 3.35Å; R111-D164 IonicContact NE-OD2 2.81Å; R111-D164 IonicContact NH2-OD1 2.75Å; R111-D164 PolarHBondContact NH2-OD1 2.81Å; R111-D164 IonicContact NH2-OD2 2.92Å; R111-D164 PolarHBondContact NH2-OD2 2.86Å; R111-Y264 VanDerWaalsContact NH1-CD1 3.35Å; R111-F270 HydrophobicContact CB-CE2 4.1Å; R111-F270 HydrophobicContact CB-CZ 3.53Å
112A92.8Very high95Very high23 Ų2324.2 Ų24.219%0.1913%0.127CC..G310 helixtrans-68.4-21.7172.700000113T109 Y110T109-A112 WeakPolarHBondContact O-CB 3.46Å; T109-A112 PolarHBondContact O-N 3.37Å; Y110-A112 PolarHBondContact O-N 2.81Å; Y110-A112 VanDerWaalsContact O-N 3.07Å
113V94.5Very high95.2Very high29 Ų2923.3 Ų23.318%0.17612%0.123CC..THydrogen-bonded Turntrans-132.3-11.4-171.4-63.60000114.9W86 Y110 R111 D476 F477 I483W86-V113 HydrophobicContact CZ3-CG2 4.04Å; Y110-V113 VanDerWaalsContact O-CG2 3.28Å; Y110-V113 WeakPolarHBondContact O-CG2 3.2Å; Y110-V113 PolarHBondContact O-N 2.89Å; R111-V113 PolarHBondContact O-N 2.78Å; V113-D476 HydrophobicContact CG1-CB 4.41Å; V113-F477 HydrophobicContact CB-CZ 4.45Å; V113-F477 HydrophobicContact CG1-CZ 4.39Å; V113-I483 HydrophobicContact CB-CD1 4.46Å; V113-I483 HydrophobicContact CB-CG2 4.41Å; V113-I483 HydrophobicContact CG1-CG2 4.27Å; V113-I483 HydrophobicContact CG2-CD1 4.05Å; V113-I483 HydrophobicContact CG2-CG1 4.47Å; V113-I483 HydrophobicContact CG2-CG2 3.97Å
114A95.1Very high95.3Very high12 Ų1223.5 Ų23.510%0.09912%0.124CC..  trans-149.9157.1-177.400000112L83 Y110 V119L83-A114 HydrophobicContact CD1-CB 3.65Å; L83-A114 HydrophobicContact CD2-CB 3.63Å; L83-A114 HydrophobicContact CG-CB 4.29Å; Y110-A114 HydrophobicContact CD2-CB 4.25Å; Y110-A114 PolarHBondContact O-N 2.75Å; A114-V119 HydrophobicContact CB-CG2 4.39Å
115K93.7Very high95.4Very high143 Ų14326.5 Ų26.562%0.62215%0.145SC*.  trans-93154.2174.5-60.4178.4179.9177.40111I117 D118 V119K115-I117 HydrophobicContact CB-CG2 4.02Å; K115-I117 PolarHBondContact O-N 2.78Å; K115-D118 WeakPolarHBondContact CB-OD2 3.36Å; K115-D118 PolarHBondContact N-OD2 3.21Å; K115-D118 VanDerWaalsContact N-OD2 3.09Å; K115-D118 PolarHBondContact O-N 2.76Å; K115-D118 VanDerWaalsContact O-N 3.09Å; K115-V119 PolarHBondContact O-N 2.76Å
116P95.2Very high95.4Very high26 Ų2627.8 Ų27.817%0.16915%0.152CC..Hα-helixtrans-50.7-40.6174.6-27.333.9000113.4D118 V119 L120 W157 D164P116-D118 VanDerWaalsContact C-N 3.33Å; P116-D118 PolarHBondContact O-N 2.8Å; P116-V119 PolarHBondContact O-N 2.92Å; P116-L120 WeakPolarHBondContact O-CB 2.94Å; P116-L120 PolarHBondContact O-N 3.18Å; P116-W157 HydrophobicContact CB-CZ2 4.14Å; P116-W157 WeakPolarHBondContact O-CH2 3.16Å; P116-D164 HydrophobicContact CB-CB 4.22Å; P116-D164 HydrophobicContact CG-CB 4.02Å
117I95.3Very high95.2Very high42 Ų4227.9 Ų27.922%0.21515%0.152CC..Hα-helixtrans-63.3-34.5-179.9-169.859.7000113.6K115 S121 V172 K176K115-I117 HydrophobicContact CB-CG2 4.02Å; K115-I117 PolarHBondContact O-N 2.78Å; I117-S121 WeakPolarHBondContact O-CB 3.41Å; I117-S121 PolarHBondContact O-N 3.22Å; I117-S121 PolarHBondContact O-OG 2.95Å; I117-V172 HydrophobicContact CD1-CG1 4.27Å; I117-K176 HydrophobicContact CD1-CD 3.86Å
118D96.5Very high95.1Very high70 Ų7032.1 Ų32.137%0.37417%0.172SC..Hα-helixtrans-69.6-45.7-180-55.3-42.3000109.9L83 K115 P116 S121 I122L83-D118 HydrophobicContact CD2-CB 3.86Å; K115-D118 WeakPolarHBondContact CB-OD2 3.36Å; K115-D118 PolarHBondContact N-OD2 3.21Å; K115-D118 VanDerWaalsContact N-OD2 3.09Å; K115-D118 PolarHBondContact O-N 2.76Å; K115-D118 VanDerWaalsContact O-N 3.09Å; P116-D118 VanDerWaalsContact C-N 3.33Å; P116-D118 PolarHBondContact O-N 2.8Å; D118-S121 PolarHBondContact O-N 3.14Å; D118-I122 WeakPolarHBondContact O-CG1 3.42Å; D118-I122 PolarHBondContact O-N 3.46Å; D118-I122 VanDerWaalsContact O-N 3.15Å
119V97Very high95Very high0 Ų035.5 Ų35.50%020%0.197CC..Hα-helixtrans-62.3-48.1176.1177.80000110.8L83 V87 F106 Y110 A114 K115 P116 S121 I122 I123 W157L83-V119 HydrophobicContact CD1-CG2 4.37Å; V87-V119 HydrophobicContact CG2-CG1 4.16Å; F106-V119 HydrophobicContact CE1-CG1 3.79Å; F106-V119 HydrophobicContact CE1-CG2 4.28Å; F106-V119 HydrophobicContact CZ-CG1 3.84Å; F106-V119 HydrophobicContact CZ-CG2 3.84Å; Y110-V119 HydrophobicContact CD2-CG2 3.62Å; Y110-V119 HydrophobicContact CE2-CG2 3.78Å; Y110-V119 HydrophobicContact CG-CG2 4.47Å; A114-V119 HydrophobicContact CB-CG2 4.39Å; K115-V119 PolarHBondContact O-N 2.76Å; P116-V119 PolarHBondContact O-N 2.92Å; V119-S121 VanDerWaalsContact C-N 3.28Å; V119-S121 PolarHBondContact O-N 3.12Å; V119-I122 PolarHBondContact O-N 2.96Å; V119-I123 HydrophobicContact CG1-CD1 4.05Å; V119-I123 WeakPolarHBondContact O-CG1 3.32Å; V119-I123 PolarHBondContact O-N 3.12Å; V119-I123 VanDerWaalsContact O-N 3.11Å; V119-W157 HydrophobicContact CB-CH2 3.96Å; V119-W157 HydrophobicContact CG1-CH2 3.83Å; V119-W157 HydrophobicContact CG1-CZ3 4.03Å
120L97Very high94.7Very high0 Ų036.1 Ų36.10%020%0.2CC..Hα-helixtrans-58.5-43.3178.2179.763.1000110.9P116 I122 I123 L124 L154 W157 C173 K176P116-L120 WeakPolarHBondContact O-CB 2.94Å; P116-L120 PolarHBondContact O-N 3.18Å; L120-I122 PolarHBondContact O-N 3.27Å; L120-I123 PolarHBondContact O-N 3.08Å; L120-L124 HydrophobicContact CD1-CD1 4.07Å; L120-L124 HydrophobicContact CD1-CD2 4.35Å; L120-L124 HydrophobicContact CD1-CG 3.96Å; L120-L124 HydrophobicContact CD2-CD1 4.44Å; L120-L124 HydrophobicContact CG-CD1 3.9Å; L120-L124 HydrophobicContact CG-CG 4.17Å; L120-L124 WeakPolarHBondContact O-CB 3.39Å; L120-L124 VanDerWaalsContact O-CG 3.28Å; L120-L124 WeakPolarHBondContact O-CG 2.98Å; L120-L124 PolarHBondContact O-N 3.2Å; L120-L154 HydrophobicContact CD1-CD2 4.19Å; L120-W157 HydrophobicContact CB-CH2 4.13Å; L120-W157 HydrophobicContact CB-CZ3 4.16Å; L120-W157 HydrophobicContact CD1-CZ3 4.32Å; L120-C173 HydrophobicContact CD2-CB 3.9Å; L120-C173 VanDerWaalsContact CD2-O 3.28Å; L120-C173 WeakPolarHBondContact CD2-O 3.26Å; L120-K176 HydrophobicContact CD2-CB 4.38Å; L120-K176 HydrophobicContact CD2-CD 4.45Å
121S96.8Very high94.4Very high32 Ų3236.2 Ų36.222%0.22420%0.2CC..Hα-helixtrans-60.6-43.5179.3-59.60000112I117 D118 V119 I123 L124 T125 K176I117-S121 WeakPolarHBondContact O-CB 3.41Å; I117-S121 PolarHBondContact O-N 3.22Å; I117-S121 PolarHBondContact O-OG 2.95Å; D118-S121 PolarHBondContact O-N 3.14Å; V119-S121 VanDerWaalsContact C-N 3.28Å; V119-S121 PolarHBondContact O-N 3.12Å; S121-I123 PolarHBondContact O-N 3.13Å; S121-L124 PolarHBondContact O-N 2.77Å; S121-T125 WeakPolarHBondContact O-CB 3.13Å; S121-T125 PolarHBondContact O-N 3.13Å; S121-T125 PolarHBondContact O-OG1 3.23Å; S121-K176 PolarHBondContact OG-NZ 3.01Å
122I96.8Very high94.1Very high31 Ų3143.1 Ų43.116%0.15923%0.231CC..Hα-helixtrans-60.9-45.2176.4-66.7157.9000111.3L83 Q84 V87 D118 V119 L120 T125 D126L83-I122 HydrophobicContact CB-CD1 4.32Å; L83-I122 HydrophobicContact CD2-CD1 3.81Å; L83-I122 HydrophobicContact CG-CD1 3.65Å; Q84-I122 HydrophobicContact CB-CD1 4.45Å; Q84-I122 HydrophobicContact CG-CG2 4.2Å; V87-I122 HydrophobicContact CB-CG2 3.94Å; V87-I122 HydrophobicContact CG1-CB 4.3Å; V87-I122 HydrophobicContact CG1-CG2 3.66Å; V87-I122 HydrophobicContact CG2-CD1 4.26Å; D118-I122 WeakPolarHBondContact O-CG1 3.42Å; D118-I122 PolarHBondContact O-N 3.46Å; D118-I122 VanDerWaalsContact O-N 3.15Å; V119-I122 PolarHBondContact O-N 2.96Å; L120-I122 PolarHBondContact O-N 3.27Å; I122-T125 PolarHBondContact O-N 3.28Å; I122-D126 PolarHBondContact O-N 3.19Å; I122-D126 VanDerWaalsContact O-N 3.13Å
123I96.3Very high93.5Very high0 Ų046.1 Ų46.10%024%0.244CC..Hα-helixtrans-63.4-46.4179.5-63.2173.4000110.7V87 V119 L120 S121 T125 D126 L127 W150 L154 W157V87-I123 HydrophobicContact CG1-CG1 3.85Å; V119-I123 HydrophobicContact CG1-CD1 4.05Å; V119-I123 WeakPolarHBondContact O-CG1 3.32Å; V119-I123 PolarHBondContact O-N 3.12Å; V119-I123 VanDerWaalsContact O-N 3.11Å; L120-I123 PolarHBondContact O-N 3.08Å; S121-I123 PolarHBondContact O-N 3.13Å; I123-T125 PolarHBondContact O-N 3.32Å; I123-D126 PolarHBondContact O-N 3.3Å; I123-L127 HydrophobicContact CG2-CD1 4Å; I123-L127 HydrophobicContact CG2-CG 4.48Å; I123-L127 WeakPolarHBondContact O-CB 3.47Å; I123-L127 WeakPolarHBondContact O-CG 3.5Å; I123-L127 PolarHBondContact O-N 3.25Å; I123-W150 HydrophobicContact CB-CE3 4.45Å; I123-W150 HydrophobicContact CB-CZ3 4.43Å; I123-W150 HydrophobicContact CD1-CE3 4.38Å; I123-W150 HydrophobicContact CD1-CZ3 3.99Å; I123-W150 HydrophobicContact CG1-CE3 4.08Å; I123-W150 HydrophobicContact CG1-CH2 4.08Å; I123-W150 HydrophobicContact CG1-CZ3 3.64Å; I123-W150 HydrophobicContact CG2-CD2 4.04Å; I123-W150 HydrophobicContact CG2-CE3 3.69Å; I123-W150 HydrophobicContact CG2-CZ3 4.15Å; I123-L154 HydrophobicContact CD1-CD2 4.19Å; I123-L154 HydrophobicContact CG2-CD1 4.01Å; I123-L154 HydrophobicContact CG2-CD2 3.97Å; I123-L154 HydrophobicContact CG2-CG 4.04Å; I123-W157 HydrophobicContact CD1-CE3 4.24Å; I123-W157 HydrophobicContact CD1-CZ3 3.98Å
124L95.4Very high92.7Very high10 Ų1050.4 Ų50.45%0.05226%0.26CS..Hα-helixtrans-65.5-37.6179.8-67.1-176.5000112L120 S121 L127 H128 K176 L177 F180L120-L124 HydrophobicContact CD1-CD1 4.07Å; L120-L124 HydrophobicContact CD1-CD2 4.35Å; L120-L124 HydrophobicContact CD1-CG 3.96Å; L120-L124 HydrophobicContact CD2-CD1 4.44Å; L120-L124 HydrophobicContact CG-CD1 3.9Å; L120-L124 HydrophobicContact CG-CG 4.17Å; L120-L124 WeakPolarHBondContact O-CB 3.39Å; L120-L124 VanDerWaalsContact O-CG 3.28Å; L120-L124 WeakPolarHBondContact O-CG 2.98Å; L120-L124 PolarHBondContact O-N 3.2Å; S121-L124 PolarHBondContact O-N 2.77Å; L124-L127 HydrophobicContact CD2-CD1 4.44Å; L124-L127 PolarHBondContact O-N 3.27Å; L124-H128 VanDerWaalsContact O-CB 3.27Å; L124-H128 WeakPolarHBondContact O-CB 3.29Å; L124-H128 PolarHBondContact O-N 3.4Å; L124-K176 HydrophobicContact CD1-CD 4.17Å; L124-K176 HydrophobicContact CD1-CG 3.87Å; L124-L177 HydrophobicContact CD2-CD1 4.11Å; L124-F180 HydrophobicContact CD1-CB 4.4Å; L124-F180 HydrophobicContact CD1-CG 4.48Å; L124-F180 HydrophobicContact CD2-CB 4.27Å; L124-F180 HydrophobicContact CD2-CD1 3.51Å; L124-F180 HydrophobicContact CD2-CD2 4.34Å; L124-F180 HydrophobicContact CD2-CE1 3.8Å; L124-F180 HydrophobicContact CD2-CG 3.78Å; L124-F180 HydrophobicContact CD2-CZ 4.34Å
125T95.4Very high91.8Very high98 Ų9851.4 Ų51.460%0.60127%0.272SS*.Hα-helixtrans-61.8-44.8174.5-63.80000111.9S121 I122 I123 H128 S129S121-T125 WeakPolarHBondContact O-CB 3.13Å; S121-T125 PolarHBondContact O-N 3.13Å; S121-T125 PolarHBondContact O-OG1 3.23Å; I122-T125 PolarHBondContact O-N 3.28Å; I123-T125 PolarHBondContact O-N 3.32Å; T125-H128 PolarHBondContact O-N 3.46Å; T125-S129 PolarHBondContact O-N 3.01Å
126D94Very high91.2Very high27 Ų2746.2 Ų46.214%0.14425%0.253CS..Hα-helixtrans-69.3-39.4178.5-168.566.7000111.7L88 I122 I123 S129 L130 K146 W150L88-D126 HydrophobicContact CD2-CB 4.17Å; I122-D126 PolarHBondContact O-N 3.19Å; I122-D126 VanDerWaalsContact O-N 3.13Å; I123-D126 PolarHBondContact O-N 3.3Å; D126-S129 WeakPolarHBondContact O-CB 3.36Å; D126-S129 PolarHBondContact O-N 2.97Å; D126-L130 WeakPolarHBondContact O-CG 3.28Å; D126-L130 PolarHBondContact O-N 2.81Å; D126-K146 IonicContact OD1-NZ 2.98Å; D126-K146 PolarHBondContact OD1-NZ 2.56Å; D126-K146 WeakPolarHBondContact OD2-CE 3.01Å; D126-K146 IonicContact OD2-NZ 2.76Å; D126-K146 PolarHBondContact OD2-NZ 2.75Å; D126-W150 PolarHBondContact OD2-NE1 2.87Å
127L93.1Very high90.5Very high1 Ų145.8 Ų45.81%0.00525%0.249CC..Hα-helixtrans-61.2-43.7172-81.7173.4000112.4I123 L124 S129 L130 L131 F147 W150 L154 F180I123-L127 HydrophobicContact CG2-CD1 4Å; I123-L127 HydrophobicContact CG2-CG 4.48Å; I123-L127 WeakPolarHBondContact O-CB 3.47Å; I123-L127 WeakPolarHBondContact O-CG 3.5Å; I123-L127 PolarHBondContact O-N 3.25Å; L124-L127 HydrophobicContact CD2-CD1 4.44Å; L124-L127 PolarHBondContact O-N 3.27Å; L127-S129 VanDerWaalsContact C-N 3.31Å; L127-S129 PolarHBondContact O-N 2.91Å; L127-L130 PolarHBondContact O-N 2.88Å; L127-L131 WeakPolarHBondContact O-CB 3.4Å; L127-L131 VanDerWaalsContact O-CG 3.29Å; L127-L131 WeakPolarHBondContact O-CG 3.06Å; L127-L131 PolarHBondContact O-N 2.9Å; L127-F147 HydrophobicContact CD2-CD2 3.86Å; L127-F147 HydrophobicContact CD2-CE2 4.21Å; L127-W150 HydrophobicContact CD1-CB 4.28Å; L127-W150 HydrophobicContact CD2-CB 3.63Å; L127-W150 HydrophobicContact CD2-CG 4.06Å; L127-W150 HydrophobicContact CG-CB 4.03Å; L127-W150 HydrophobicContact CG-CG 4.18Å; L127-L154 HydrophobicContact CD1-CD1 3.68Å; L127-F180 HydrophobicContact CB-CE1 4.1Å; L127-F180 HydrophobicContact CB-CZ 3.97Å; L127-F180 HydrophobicContact CD1-CE1 4.34Å
128H92.7Very high89.7Confident90 Ų9051.9 Ų51.942%0.41727%0.274SS..Hα-helixtrans-60.9-41.5177-173.981.6000111.2L124 T125 L130 L131 K132 F180 H184L124-H128 VanDerWaalsContact O-CB 3.27Å; L124-H128 WeakPolarHBondContact O-CB 3.29Å; L124-H128 PolarHBondContact O-N 3.4Å; T125-H128 PolarHBondContact O-N 3.46Å; H128-L130 VanDerWaalsContact C-N 3.35Å; H128-L130 PolarHBondContact O-N 3.35Å; H128-L131 PolarHBondContact O-N 2.99Å; H128-K132 PolarHBondContact O-N 3.32Å; H128-F180 HydrophobicContact CB-CE2 4.04Å; H128-F180 HydrophobicContact CB-CZ 4.26Å; H128-H184 AromaticContact ND1-NE2 3.83Å
129S91.3Very high88.9Confident80 Ų8058.1 Ų58.156%0.55929%0.293SS*.Hα-helixtrans-60.2-42.5174.5-179.90000112.3T125 D126 L127 L131T125-S129 PolarHBondContact O-N 3.01Å; D126-S129 WeakPolarHBondContact O-CB 3.36Å; D126-S129 PolarHBondContact O-N 2.97Å; L127-S129 VanDerWaalsContact C-N 3.31Å; L127-S129 PolarHBondContact O-N 2.91Å; S129-L131 VanDerWaalsContact C-N 3.35Å
130L89.8Confident88.4Confident12 Ų1259.9 Ų59.96%0.06331%0.305CS..Hα-helixtrans-66.6-35.1176-66.4171.8000112.9D126 L127 H128 L143 K146D126-L130 WeakPolarHBondContact O-CG 3.28Å; D126-L130 PolarHBondContact O-N 2.81Å; L127-L130 PolarHBondContact O-N 2.88Å; H128-L130 VanDerWaalsContact C-N 3.35Å; H128-L130 PolarHBondContact O-N 3.35Å; L130-L143 HydrophobicContact CD2-CB 4.5Å; L130-L143 HydrophobicContact CD2-CD2 3.7Å; L130-K146 HydrophobicContact CD1-CB 4.38Å; L130-K146 HydrophobicContact CD1-CD 3.99Å; L130-K146 HydrophobicContact CD1-CG 4.02Å; L130-K146 HydrophobicContact CD2-CD 4.09Å
131L89.6Confident87.8Confident3 Ų361.6 Ų61.62%0.01632%0.319CS..Hα-helixtrans-83.7-17.3-177.5-70.5170.3000113.7L127 H128 S129 D133 K134 L137 F147 F180 H184 L187 L188L127-L131 WeakPolarHBondContact O-CB 3.4Å; L127-L131 VanDerWaalsContact O-CG 3.29Å; L127-L131 WeakPolarHBondContact O-CG 3.06Å; L127-L131 PolarHBondContact O-N 2.9Å; H128-L131 PolarHBondContact O-N 2.99Å; S129-L131 VanDerWaalsContact C-N 3.35Å; L131-D133 VanDerWaalsContact C-N 3.35Å; L131-K134 WeakPolarHBondContact O-CG 3.27Å; L131-L137 HydrophobicContact CD2-CD2 3.96Å; L131-F147 HydrophobicContact CD1-CE2 4.34Å; L131-F147 HydrophobicContact CD2-CD2 4.26Å; L131-F147 HydrophobicContact CD2-CE2 3.79Å; L131-F147 HydrophobicContact CG-CE2 4.27Å; L131-F180 HydrophobicContact CD1-CE1 4.39Å; L131-F180 HydrophobicContact CD1-CZ 4.26Å; L131-H184 HydrophobicContact CD1-CB 4.22Å; L131-H184 VanDerWaalsContact CD1-CD2 3.49Å; L131-H184 WeakPolarHBondContact CD1-CD2 3.05Å; L131-L187 HydrophobicContact CD2-CD1 3.72Å; L131-L188 HydrophobicContact CD1-CD1 4.07Å
132K86.9Confident87.2Confident177 Ų17766.8 Ų66.877%0.7734%0.34SS*.Hα-helixtrans-64.5-38175.9-170.3175.3-179.5178.60112H128H128-K132 PolarHBondContact O-N 3.32Å
133D81.4Confident86.8Confident85 Ų8567.5 Ų67.546%0.45534%0.344SS..THydrogen-bonded Turntrans-105.770.4175.1-171.7-4.5000111.3L131 G135 S136 L137L131-D133 VanDerWaalsContact C-N 3.35Å; D133-G135 PolarHBondContact O-N 3.03Å; D133-G135 VanDerWaalsContact O-N 3.1Å; D133-G135 PolarHBondContact OD1-N 2.84Å; D133-S136 PolarHBondContact O-N 3.05Å; D133-S136 VanDerWaalsContact O-N 3.16Å; D133-S136 WeakPolarHBondContact OD1-CB 3.29Å; D133-S136 PolarHBondContact OD1-N 2.99Å; D133-S136 WeakPolarHBondContact OD2-CB 2.86Å; D133-L137 PolarHBondContact O-N 3.18Å
134K77.3Confident86.3Confident119 Ų11971.8 Ų71.852%0.51736%0.364SS..Hα-helixtrans-55.4-29.1178-60.5-174.1-178.41770112.4L131 K138L131-K134 WeakPolarHBondContact O-CG 3.27Å; K134-K138 WeakPolarHBondContact O-CG 3.31Å; K134-K138 PolarHBondContact O-N 3.24Å; K134-K138 VanDerWaalsContact O-N 3.08Å
135G77.3Confident86Confident33 Ų3374.7 Ų74.734%0.3437%0.374SS..Hα-helixtrans-71.3-43.4179.600000112.6D133 R139D133-G135 PolarHBondContact O-N 3.03Å; D133-G135 VanDerWaalsContact O-N 3.1Å; D133-G135 PolarHBondContact OD1-N 2.84Å; G135-R139 WeakPolarHBondContact O-CG 3.21Å; G135-R139 PolarHBondContact O-N 3Å; G135-R139 PolarHBondContact O-NE 3.11Å
136S79.4Confident85.7Confident34 Ų3472.2 Ų72.224%0.23836%0.355CS..Hα-helixtrans-71.4-38173.8-173.60000111.8D133 K138 R139 S140 L143D133-S136 PolarHBondContact O-N 3.05Å; D133-S136 VanDerWaalsContact O-N 3.16Å; D133-S136 WeakPolarHBondContact OD1-CB 3.29Å; D133-S136 PolarHBondContact OD1-N 2.99Å; D133-S136 WeakPolarHBondContact OD2-CB 2.86Å; S136-K138 VanDerWaalsContact C-N 3.27Å; S136-K138 PolarHBondContact O-N 3.47Å; S136-R139 PolarHBondContact O-N 3.3Å; S136-S140 WeakPolarHBondContact O-CB 3.31Å; S136-S140 PolarHBondContact O-N 3.25Å; S136-L143 VanDerWaalsContact OG-CD1 3.28Å; S136-L143 WeakPolarHBondContact OG-CD1 3.46Å
137L80.6Confident85.6Confident17 Ų1772 Ų729%0.08935%0.353CS..Hα-helixtrans-57.9-39.7173.5-176.162.1000111.7L131 D133 R139 L143 Q144 F147L131-L137 HydrophobicContact CD2-CD2 3.96Å; D133-L137 PolarHBondContact O-N 3.18Å; L137-R139 VanDerWaalsContact C-N 3.35Å; L137-R139 PolarHBondContact O-N 2.89Å; L137-L143 VanDerWaalsContact CD1-C 3.47Å; L137-L143 HydrophobicContact CD1-CB 3.78Å; L137-L143 WeakPolarHBondContact CD1-O 3.41Å; L137-Q144 HydrophobicContact CD1-CG 4.49Å; L137-Q144 WeakPolarHBondContact O-CG 3.41Å; L137-Q144 PolarHBondContact O-NE2 2.93Å; L137-Q144 VanDerWaalsContact O-NE2 3.07Å; L137-F147 HydrophobicContact CD1-CB 3.92Å; L137-F147 HydrophobicContact CD1-CG 4.48Å; L137-F147 HydrophobicContact CD2-CD2 4.43Å; L137-F147 HydrophobicContact CD2-CG 4.45Å
138K78.8Confident85.5Confident170 Ų17077.1 Ų77.174%0.73938%0.377SS*.Hα-helixtrans-71-26.2175.8-76.4-177.3179.2-172.20114.1K134 S136 Q144K134-K138 WeakPolarHBondContact O-CG 3.31Å; K134-K138 PolarHBondContact O-N 3.24Å; K134-K138 VanDerWaalsContact O-N 3.08Å; S136-K138 VanDerWaalsContact C-N 3.27Å; S136-K138 PolarHBondContact O-N 3.47Å; K138-Q144 VanDerWaalsContact C-NE2 3.33Å; K138-Q144 PolarHBondContact O-NE2 2.8Å
139R80.4Confident85.4Confident202 Ų20273.2 Ų73.276%0.76236%0.359SS*.Hα-helixtrans-95.8-29.3-174.8-71.8-179.5-73.3168.2-1.6113.7G135 S136 L137G135-R139 WeakPolarHBondContact O-CG 3.21Å; G135-R139 PolarHBondContact O-N 3Å; G135-R139 PolarHBondContact O-NE 3.11Å; S136-R139 PolarHBondContact O-N 3.3Å; L137-R139 VanDerWaalsContact C-N 3.35Å; L137-R139 PolarHBondContact O-N 2.89Å
140S86.8Confident85.6Confident36 Ų3669.4 Ų69.425%0.25233%0.332SS..  trans-98.8110.8-175.7177.80000111.5S136 Q142 L143 Q144S136-S140 WeakPolarHBondContact O-CB 3.31Å; S136-S140 PolarHBondContact O-N 3.25Å; S140-Q142 PolarHBondContact O-N 3.43Å; S140-L143 PolarHBondContact O-N 3.26Å; S140-L143 VanDerWaalsContact O-N 3.11Å; S140-L143 PolarHBondContact OG-N 3.37Å; S140-Q144 WeakPolarHBondContact O-CG 3.48Å; S140-Q144 PolarHBondContact O-N 3.5Å
141A84.6Confident85.7Confident36 Ų3668.9 Ų68.930%0.29833%0.33SS..Hα-helixtrans-55.9-33.8174.200000112.4Q144 W145A141-Q144 PolarHBondContact O-N 3.21Å; A141-W145 WeakPolarHBondContact O-CB 3.37Å; A141-W145 PolarHBondContact O-N 3.1Å
142Q84.1Confident85.9Confident141 Ų14172.4 Ų72.466%0.65935%0.352SS*.Hα-helixtrans-66.6-42.5177.7-172.1179.7400112S140 W145 K146S140-Q142 PolarHBondContact O-N 3.43Å; Q142-W145 PolarHBondContact O-N 3.37Å; Q142-K146 WeakPolarHBondContact O-CB 3.28Å; Q142-K146 PolarHBondContact O-N 3.21Å
143L86.8Confident86.2Confident47 Ų4764.4 Ų64.425%0.24632%0.317CS..Hα-helixtrans-69-38.5177-62.8-178.4000111.3L130 S136 L137 S140 K146 F147L130-L143 HydrophobicContact CD2-CB 4.5Å; L130-L143 HydrophobicContact CD2-CD2 3.7Å; S136-L143 VanDerWaalsContact OG-CD1 3.28Å; S136-L143 WeakPolarHBondContact OG-CD1 3.46Å; L137-L143 VanDerWaalsContact CD1-C 3.47Å; L137-L143 HydrophobicContact CD1-CB 3.78Å; L137-L143 WeakPolarHBondContact CD1-O 3.41Å; S140-L143 PolarHBondContact O-N 3.26Å; S140-L143 VanDerWaalsContact O-N 3.11Å; S140-L143 PolarHBondContact OG-N 3.37Å; L143-K146 PolarHBondContact O-N 3.13Å; L143-F147 WeakPolarHBondContact O-CB 3.23Å; L143-F147 PolarHBondContact O-N 3.32Å
144Q87.2Confident86.9Confident89 Ų8960.4 Ų60.442%0.41630%0.296SS..Hα-helixtrans-61.4-45.9174.6-67.3-179.3-6.200111.7L137 K138 S140 A141 K146 F147 Q148L137-Q144 HydrophobicContact CD1-CG 4.49Å; L137-Q144 WeakPolarHBondContact O-CG 3.41Å; L137-Q144 PolarHBondContact O-NE2 2.93Å; L137-Q144 VanDerWaalsContact O-NE2 3.07Å; K138-Q144 VanDerWaalsContact C-NE2 3.33Å; K138-Q144 PolarHBondContact O-NE2 2.8Å; S140-Q144 WeakPolarHBondContact O-CG 3.48Å; S140-Q144 PolarHBondContact O-N 3.5Å; A141-Q144 PolarHBondContact O-N 3.21Å; Q144-K146 VanDerWaalsContact C-N 3.34Å; Q144-K146 PolarHBondContact O-N 3.45Å; Q144-F147 PolarHBondContact O-N 3.44Å; Q144-Q148 WeakPolarHBondContact O-CB 3.29Å; Q144-Q148 PolarHBondContact O-N 2.94Å
145W87.4Confident87.7Confident71 Ų7162.4 Ų62.427%0.26930%0.3SS..Hα-helixtrans-61.9-42.6177172.988.9000111.7V91 E94 R99 A141 Q142 Q148 T149V91-W145 WeakPolarHBondContact O-CH2 3.35Å; V91-W145 WeakPolarHBondContact O-CZ3 3.27Å; E94-W145 HydrophobicContact CG-CH2 4.28Å; R99-W145 VanDerWaalsContact CZ-CZ2 3.44Å; R99-W145 VanDerWaalsContact NH2-CZ2 3.35Å; A141-W145 WeakPolarHBondContact O-CB 3.37Å; A141-W145 PolarHBondContact O-N 3.1Å; Q142-W145 PolarHBondContact O-N 3.37Å; W145-Q148 PolarHBondContact O-N 2.81Å; W145-T149 WeakPolarHBondContact O-CB 3.02Å; W145-T149 PolarHBondContact O-N 2.87Å; W145-T149 PolarHBondContact O-OG1 2.79Å
146K90.8Very high88.5Confident46 Ų4664.7 Ų64.720%0.230%0.298CS..Hα-helixtrans-61.4-46.9176.2-168.1-178.3173.4-159.10111V91 D126 L130 Q142 L143 Q144 T149 W150V91-K146 HydrophobicContact CB-CG 4.47Å; V91-K146 HydrophobicContact CG1-CD 4.37Å; V91-K146 HydrophobicContact CG1-CG 4.07Å; V91-K146 HydrophobicContact CG2-CB 4.44Å; V91-K146 HydrophobicContact CG2-CG 3.55Å; D126-K146 IonicContact OD1-NZ 2.98Å; D126-K146 PolarHBondContact OD1-NZ 2.56Å; D126-K146 WeakPolarHBondContact OD2-CE 3.01Å; D126-K146 IonicContact OD2-NZ 2.76Å; D126-K146 PolarHBondContact OD2-NZ 2.75Å; L130-K146 HydrophobicContact CD1-CB 4.38Å; L130-K146 HydrophobicContact CD1-CD 3.99Å; L130-K146 HydrophobicContact CD1-CG 4.02Å; L130-K146 HydrophobicContact CD2-CD 4.09Å; Q142-K146 WeakPolarHBondContact O-CB 3.28Å; Q142-K146 PolarHBondContact O-N 3.21Å; L143-K146 PolarHBondContact O-N 3.13Å; Q144-K146 VanDerWaalsContact C-N 3.34Å; Q144-K146 PolarHBondContact O-N 3.45Å; K146-T149 PolarHBondContact O-N 3.39Å; K146-W150 PolarHBondContact O-N 3.07Å
147F91.2Very high89.3Confident22 Ų2263 Ų6310%0.09629%0.287CS..Hα-helixtrans-58.9-48.8175.7172.9-97.8000112.4L127 L131 L137 L143 Q144 T149 W150 C151 L187 L188L127-F147 HydrophobicContact CD2-CD2 3.86Å; L127-F147 HydrophobicContact CD2-CE2 4.21Å; L131-F147 HydrophobicContact CD1-CE2 4.34Å; L131-F147 HydrophobicContact CD2-CD2 4.26Å; L131-F147 HydrophobicContact CD2-CE2 3.79Å; L131-F147 HydrophobicContact CG-CE2 4.27Å; L137-F147 HydrophobicContact CD1-CB 3.92Å; L137-F147 HydrophobicContact CD1-CG 4.48Å; L137-F147 HydrophobicContact CD2-CD2 4.43Å; L137-F147 HydrophobicContact CD2-CG 4.45Å; L143-F147 WeakPolarHBondContact O-CB 3.23Å; L143-F147 PolarHBondContact O-N 3.32Å; Q144-F147 PolarHBondContact O-N 3.44Å; F147-T149 VanDerWaalsContact C-N 3.28Å; F147-T149 PolarHBondContact O-N 2.54Å; F147-W150 PolarHBondContact O-N 3.2Å; F147-C151 PolarHBondContact O-N 2.86Å; F147-C151 PolarHBondContact O-SG 3.26Å; F147-L187 HydrophobicContact CZ-CB 4.43Å; F147-L188 HydrophobicContact CE2-CD2 3.91Å; F147-L188 HydrophobicContact CZ-CD2 3.79Å
148Q90.7Very high90Very high110 Ų11062.4 Ų62.451%0.51428%0.284SS..Hα-helixtrans-65.1-34.3179.4-171.762.214.900112.1Q144 W145 C151 T152Q144-Q148 WeakPolarHBondContact O-CB 3.29Å; Q144-Q148 PolarHBondContact O-N 2.94Å; W145-Q148 PolarHBondContact O-N 2.81Å; Q148-C151 WeakPolarHBondContact O-CB 3.31Å; Q148-C151 PolarHBondContact O-N 3.05Å; Q148-T152 WeakPolarHBondContact O-CB 3.41Å; Q148-T152 PolarHBondContact O-N 2.93Å; Q148-T152 PolarHBondContact O-OG1 2.9Å
149T91.6Very high90.6Very high7 Ų758.1 Ų58.14%0.04327%0.272CS..Hα-helixtrans-65-45.3175.5-62.50000110.9V91 R99 W145 K146 F147 C151 T152 I153V91-T149 HydrophobicContact CG2-CG2 3.76Å; R99-T149 PolarHBondContact NH1-OG1 2.69Å; R99-T149 VanDerWaalsContact NH1-OG1 3.09Å; W145-T149 WeakPolarHBondContact O-CB 3.02Å; W145-T149 PolarHBondContact O-N 2.87Å; W145-T149 PolarHBondContact O-OG1 2.79Å; K146-T149 PolarHBondContact O-N 3.39Å; F147-T149 VanDerWaalsContact C-N 3.28Å; F147-T149 PolarHBondContact O-N 2.54Å; T149-C151 PolarHBondContact O-N 3.18Å; T149-T152 WeakPolarHBondContact O-CB 3.3Å; T149-T152 PolarHBondContact O-N 3.45Å; T149-I153 HydrophobicContact CG2-CD1 3.9Å; T149-I153 HydrophobicContact CG2-CG1 4.43Å; T149-I153 WeakPolarHBondContact O-CG1 3.27Å; T149-I153 PolarHBondContact O-N 3.14Å
150W94.3Very high91.2Very high0 Ų052.7 Ų52.70%025%0.251CS..Hα-helixtrans-60.7-44.5174.4-80.8133.6000113.3V87 L88 V91 I123 D126 L127 K146 F147 T152 I153 L154V87-W150 HydrophobicContact CG1-CH2 3.73Å; V87-W150 HydrophobicContact CG1-CZ3 4.32Å; V87-W150 WeakPolarHBondContact O-CH2 2.92Å; L88-W150 HydrophobicContact CD2-CZ2 4Å; V91-W150 HydrophobicContact CB-CD2 4.16Å; V91-W150 HydrophobicContact CB-CH2 4.01Å; V91-W150 HydrophobicContact CB-CZ2 3.53Å; V91-W150 HydrophobicContact CG1-CH2 4.25Å; V91-W150 HydrophobicContact CG1-CZ2 3.44Å; V91-W150 VanDerWaalsContact CG1-CZ2 3.44Å; V91-W150 HydrophobicContact CG2-CD2 3.95Å; V91-W150 HydrophobicContact CG2-CG 4.07Å; V91-W150 HydrophobicContact CG2-CZ2 4.16Å; I123-W150 HydrophobicContact CB-CE3 4.45Å; I123-W150 HydrophobicContact CB-CZ3 4.43Å; I123-W150 HydrophobicContact CD1-CE3 4.38Å; I123-W150 HydrophobicContact CD1-CZ3 3.99Å; I123-W150 HydrophobicContact CG1-CE3 4.08Å; I123-W150 HydrophobicContact CG1-CH2 4.08Å; I123-W150 HydrophobicContact CG1-CZ3 3.64Å; I123-W150 HydrophobicContact CG2-CD2 4.04Å; I123-W150 HydrophobicContact CG2-CE3 3.69Å; I123-W150 HydrophobicContact CG2-CZ3 4.15Å; D126-W150 PolarHBondContact OD2-NE1 2.87Å; L127-W150 HydrophobicContact CD1-CB 4.28Å; L127-W150 HydrophobicContact CD2-CB 3.63Å; L127-W150 HydrophobicContact CD2-CG 4.06Å; L127-W150 HydrophobicContact CG-CB 4.03Å; L127-W150 HydrophobicContact CG-CG 4.18Å; K146-W150 PolarHBondContact O-N 3.07Å; F147-W150 PolarHBondContact O-N 3.2Å; W150-T152 PolarHBondContact O-N 3.04Å; W150-I153 HydrophobicContact CE3-CB 4.25Å; W150-I153 HydrophobicContact CE3-CD1 3.81Å; W150-I153 HydrophobicContact CE3-CG2 4.25Å; W150-I153 HydrophobicContact CZ3-CD1 3.85Å; W150-I153 HydrophobicContact CZ3-CG2 4.27Å; W150-I153 PolarHBondContact O-N 3.24Å; W150-L154 PolarHBondContact O-N 3.04Å
151C93.4Very high91.5Very high2 Ų251.2 Ų51.21%0.01424%0.24CC..Hα-helixtrans-55.8-42.9174.6-72.10000111.9F147 Q148 T149 R155 F190F147-C151 PolarHBondContact O-N 2.86Å; F147-C151 PolarHBondContact O-SG 3.26Å; Q148-C151 WeakPolarHBondContact O-CB 3.31Å; Q148-C151 PolarHBondContact O-N 3.05Å; T149-C151 PolarHBondContact O-N 3.18Å; C151-R155 WeakPolarHBondContact O-CB 3.49Å; C151-R155 PolarHBondContact O-N 3.33Å; C151-F190 HydrophobicContact CB-CE2 4.33Å; C151-F190 HydrophobicContact CB-CZ 3.73Å
152T92.5Very high91.8Very high77 Ų7751.3 Ų51.347%0.47224%0.238SC..Hα-helixtrans-66.9-43.3177.3-57.50000111.7Q148 T149 W150 R155 R156Q148-T152 WeakPolarHBondContact O-CB 3.41Å; Q148-T152 PolarHBondContact O-N 2.93Å; Q148-T152 PolarHBondContact O-OG1 2.9Å; T149-T152 WeakPolarHBondContact O-CB 3.3Å; T149-T152 PolarHBondContact O-N 3.45Å; W150-T152 PolarHBondContact O-N 3.04Å; T152-R155 PolarHBondContact O-N 3.11Å; T152-R156 VanDerWaalsContact O-CB 3.28Å; T152-R156 WeakPolarHBondContact O-CB 3.28Å; T152-R156 PolarHBondContact O-N 2.81Å
153I94.2Very high91.9Very high8 Ų847.3 Ų47.34%0.04122%0.219CC..Hα-helixtrans-60.5-50.7176.8-71.9169.1000110.3M90 F103 F107 T149 W150 R155 R156 W157M90-I153 HydrophobicContact CB-CD1 4.06Å; F103-I153 HydrophobicContact CD2-CG1 4.33Å; F103-I153 HydrophobicContact CD2-CG2 4.38Å; F103-I153 HydrophobicContact CE2-CG2 4.16Å; F107-I153 HydrophobicContact CE2-CG2 3.97Å; F107-I153 HydrophobicContact CZ-CG2 4.06Å; T149-I153 HydrophobicContact CG2-CD1 3.9Å; T149-I153 HydrophobicContact CG2-CG1 4.43Å; T149-I153 WeakPolarHBondContact O-CG1 3.27Å; T149-I153 PolarHBondContact O-N 3.14Å; W150-I153 HydrophobicContact CE3-CB 4.25Å; W150-I153 HydrophobicContact CE3-CD1 3.81Å; W150-I153 HydrophobicContact CE3-CG2 4.25Å; W150-I153 HydrophobicContact CZ3-CD1 3.85Å; W150-I153 HydrophobicContact CZ3-CG2 4.27Å; W150-I153 PolarHBondContact O-N 3.24Å; I153-R155 PolarHBondContact O-N 3.38Å; I153-R156 PolarHBondContact O-N 3.3Å; I153-W157 WeakPolarHBondContact O-CB 3.5Å; I153-W157 PolarHBondContact O-N 3.06Å
154L95.4Very high92.1Very high2 Ų245.6 Ų45.61%0.0121%0.21CC..Hα-helixtrans-61.5-44.7179.2-74.3174.2000112L120 I123 L127 W150 R156 W157 L158 L177 L191L120-L154 HydrophobicContact CD1-CD2 4.19Å; I123-L154 HydrophobicContact CD1-CD2 4.19Å; I123-L154 HydrophobicContact CG2-CD1 4.01Å; I123-L154 HydrophobicContact CG2-CD2 3.97Å; I123-L154 HydrophobicContact CG2-CG 4.04Å; L127-L154 HydrophobicContact CD1-CD1 3.68Å; W150-L154 PolarHBondContact O-N 3.04Å; L154-R156 VanDerWaalsContact C-N 3.32Å; L154-R156 PolarHBondContact O-N 3.31Å; L154-W157 HydrophobicContact CD2-CE3 4.05Å; L154-W157 HydrophobicContact CD2-CZ3 4.44Å; L154-W157 PolarHBondContact O-N 2.94Å; L154-L158 WeakPolarHBondContact O-CG 3.07Å; L154-L158 PolarHBondContact O-N 2.9Å; L154-L177 HydrophobicContact CD1-CD1 4.39Å; L154-L191 HydrophobicContact CB-CD1 4.15Å; L154-L191 HydrophobicContact CB-CD2 4.05Å; L154-L191 HydrophobicContact CD1-CD1 3.76Å
155R94.2Very high92.4Very high160 Ų16041.4 Ų41.460%0.60419%0.191SC*.Hα-helixtrans-60.6-42.2176-174.4178.9-172.4-121.62.3111.9C151 T152 I153 T159 L191C151-R155 WeakPolarHBondContact O-CB 3.49Å; C151-R155 PolarHBondContact O-N 3.33Å; T152-R155 PolarHBondContact O-N 3.11Å; I153-R155 PolarHBondContact O-N 3.38Å; R155-T159 WeakPolarHBondContact O-CB 3.45Å; R155-T159 PolarHBondContact O-N 3.48Å; R155-T159 PolarHBondContact O-OG1 2.98Å; R155-L191 HydrophobicContact CB-CD2 4.17Å
156R94.4Very high92.3Very high81 Ų8141.9 Ų41.931%0.30620%0.199SC..Hα-helixtrans-70.1-36.2178.5-167.9176.8168.6175.5-7.8111.2F103 E104 T152 I153 L154 T159 R160F103-R156 VanDerWaalsContact CD1-CZ 3.41Å; F103-R156 VanDerWaalsContact CD1-NE 3.34Å; F103-R156 HydrophobicContact CE1-CB 4.48Å; F103-R156 VanDerWaalsContact CE1-CD 3.41Å; F103-R156 HydrophobicContact CE1-CG 3.68Å; F103-R156 HydrophobicContact CE2-CB 3.92Å; F103-R156 HydrophobicContact CE2-CG 3.99Å; F103-R156 HydrophobicContact CZ-CB 3.68Å; F103-R156 VanDerWaalsContact CZ-CD 3.42Å; F103-R156 HydrophobicContact CZ-CG 3.35Å; E104-R156 IonicContact OE1-NH2 3.72Å; E104-R156 PolarHBondContact OE1-NH2 3.4Å; T152-R156 VanDerWaalsContact O-CB 3.28Å; T152-R156 WeakPolarHBondContact O-CB 3.28Å; T152-R156 PolarHBondContact O-N 2.81Å; I153-R156 PolarHBondContact O-N 3.3Å; L154-R156 VanDerWaalsContact C-N 3.32Å; L154-R156 PolarHBondContact O-N 3.31Å; R156-T159 PolarHBondContact O-N 3.08Å; R156-R160 VanDerWaalsContact O-CB 3.23Å; R156-R160 WeakPolarHBondContact O-CB 3.48Å; R156-R160 PolarHBondContact O-N 3.49Å
157W96Very high92Very high0 Ų042.2 Ų42.20%020%0.201CC..Hα-helixtrans-61.6-54.2175-171.510.4000111.1F107 P116 V119 L120 I123 I153 L154 T159 R160 Y161 D164 F165F107-W157 AromaticContact CD1-CD1 3.73Å; F107-W157 HydrophobicContact CD1-CD2 4.22Å; F107-W157 HydrophobicContact CD1-CG 4.03Å; F107-W157 AromaticContact CD1-NE1 3.74Å; F107-W157 HydrophobicContact CE1-CB 4.16Å; F107-W157 AromaticContact CE1-CD1 3.6Å; F107-W157 AromaticContact CE1-CD2 3.33Å; F107-W157 HydrophobicContact CE1-CD2 3.33Å; F107-W157 AromaticContact CE1-CE2 3.47Å; F107-W157 VanDerWaalsContact CE1-CE2 3.47Å; F107-W157 AromaticContact CE1-CE3 3.88Å; F107-W157 HydrophobicContact CE1-CE3 3.88Å; F107-W157 AromaticContact CE1-CG 3.45Å; F107-W157 HydrophobicContact CE1-CG 3.45Å; F107-W157 VanDerWaalsContact CE1-CG 3.45Å; F107-W157 HydrophobicContact CE1-CZ2 4.12Å; F107-W157 HydrophobicContact CE1-CZ3 4.47Å; F107-W157 AromaticContact CE1-NE1 3.6Å; F107-W157 HydrophobicContact CZ-CB 4.17Å; F107-W157 AromaticContact CZ-CD2 3.89Å; F107-W157 HydrophobicContact CZ-CD2 3.89Å; F107-W157 HydrophobicContact CZ-CE3 4.11Å; F107-W157 AromaticContact CZ-CG 3.92Å; F107-W157 HydrophobicContact CZ-CG 3.92Å; P116-W157 HydrophobicContact CB-CZ2 4.14Å; P116-W157 WeakPolarHBondContact O-CH2 3.16Å; V119-W157 HydrophobicContact CB-CH2 3.96Å; V119-W157 HydrophobicContact CG1-CH2 3.83Å; V119-W157 HydrophobicContact CG1-CZ3 4.03Å; L120-W157 HydrophobicContact CB-CH2 4.13Å; L120-W157 HydrophobicContact CB-CZ3 4.16Å; L120-W157 HydrophobicContact CD1-CZ3 4.32Å; I123-W157 HydrophobicContact CD1-CE3 4.24Å; I123-W157 HydrophobicContact CD1-CZ3 3.98Å; I153-W157 WeakPolarHBondContact O-CB 3.5Å; I153-W157 PolarHBondContact O-N 3.06Å; L154-W157 HydrophobicContact CD2-CE3 4.05Å; L154-W157 HydrophobicContact CD2-CZ3 4.44Å; L154-W157 PolarHBondContact O-N 2.94Å; W157-T159 PolarHBondContact O-N 3.33Å; W157-T159 VanDerWaalsContact O-N 3.1Å; W157-R160 PolarHBondContact O-N 3.41Å; W157-Y161 CarbonylContact O-C 3.38Å; W157-Y161 PolarHBondContact O-N 3.04Å; W157-D164 HydrophobicContact CZ2-CB 4.45Å; W157-D164 PolarHBondContact NE1-OD2 3.24Å; W157-F165 AromaticContact CD1-CE2 3.75Å; W157-F165 HydrophobicContact CD2-CE2 4Å; W157-F165 AromaticContact CD2-CZ 3.61Å; W157-F165 HydrophobicContact CD2-CZ 3.61Å; W157-F165 AromaticContact CE2-CE2 3.85Å; W157-F165 AromaticContact CE2-CZ 3.62Å; W157-F165 AromaticContact CE3-CZ 3.98Å; W157-F165 HydrophobicContact CE3-CZ 3.98Å; W157-F165 AromaticContact CG-CE2 3.96Å; W157-F165 HydrophobicContact CG-CE2 3.96Å; W157-F165 AromaticContact CG-CZ 3.99Å; W157-F165 HydrophobicContact CG-CZ 3.99Å; W157-F165 HydrophobicContact CH2-CZ 4.34Å; W157-F165 HydrophobicContact CZ2-CZ 4.01Å; W157-F165 HydrophobicContact CZ3-CZ 4.32Å; W157-F165 AromaticContact NE1-CE2 3.68Å; W157-F165 AromaticContact NE1-CZ 3.96Å
158L94.5Very high91.5Very high3 Ų346.7 Ų46.72%0.01622%0.222CC..Hα-helixtrans-59.4-23.7177.1-72.3170.7000114.4L154 F165 L174 L177 K194 A195L154-L158 WeakPolarHBondContact O-CG 3.07Å; L154-L158 PolarHBondContact O-N 2.9Å; L158-F165 HydrophobicContact CD2-CD1 4.17Å; L158-F165 HydrophobicContact CD2-CD2 3.99Å; L158-F165 HydrophobicContact CD2-CE1 3.97Å; L158-F165 HydrophobicContact CD2-CE2 3.78Å; L158-F165 HydrophobicContact CD2-CG 4.18Å; L158-F165 HydrophobicContact CD2-CZ 3.76Å; L158-F165 HydrophobicContact CG-CE2 4.42Å; L158-F165 HydrophobicContact CG-CZ 4.38Å; L158-L174 HydrophobicContact CD2-CD2 3.9Å; L158-L177 HydrophobicContact CD1-CD2 3.8Å; L158-L177 HydrophobicContact CD2-CD2 4.3Å; L158-L177 HydrophobicContact CG-CD2 4.4Å; L158-K194 HydrophobicContact CB-CG 4.19Å; L158-K194 HydrophobicContact CD1-CB 4.28Å; L158-K194 HydrophobicContact CD1-CG 3.85Å; L158-A195 HydrophobicContact CD1-CB 4.45Å
159T93.3Very high91.1Very high81 Ų8145.9 Ų45.950%0.49723%0.226SC..Hα-helixtrans-97.2-36.8-176.7-54.10000112.4R155 R156 W157 K194R155-T159 WeakPolarHBondContact O-CB 3.45Å; R155-T159 PolarHBondContact O-N 3.48Å; R155-T159 PolarHBondContact O-OG1 2.98Å; R156-T159 PolarHBondContact O-N 3.08Å; W157-T159 PolarHBondContact O-N 3.33Å; W157-T159 VanDerWaalsContact O-N 3.1Å; T159-K194 WeakPolarHBondContact OG1-CE 3.43Å
160R91.7Very high90.9Very high87 Ų8749.5 Ų49.533%0.32825%0.248SC..Hα-helixtrans-98.2-25.4-172.8-169.9164.8-179.2176-11.5113.6E104 R156 W157E104-R160 IonicContact OE1-CZ 4Å; E104-R160 VanDerWaalsContact OE1-CZ 3.27Å; E104-R160 IonicContact OE1-NH1 3.73Å; E104-R160 PolarHBondContact OE1-NH1 3.21Å; E104-R160 IonicContact OE1-NH2 3.76Å; E104-R160 PolarHBondContact OE1-NH2 3.14Å; E104-R160 IonicContact OE2-CZ 2.9Å; E104-R160 IonicContact OE2-NH2 3.4Å; E104-R160 PolarHBondContact OE2-NH2 3.22Å; R156-R160 VanDerWaalsContact O-CB 3.23Å; R156-R160 WeakPolarHBondContact O-CB 3.48Å; R156-R160 PolarHBondContact O-N 3.49Å; W157-R160 PolarHBondContact O-N 3.41Å
161Y92.8Very high90.7Very high5 Ų550.3 Ų50.32%0.0225%0.252CS..  trans-130.658.1174.8-47-84.3000110.4F103 F107 E108 W157 E163 D164F103-Y161 AromaticContact CE1-CE2 3.83Å; F103-Y161 HydrophobicContact CE1-CE2 3.83Å; F103-Y161 HydrophobicContact CZ-CE2 4.17Å; F107-Y161 HydrophobicContact CB-CD2 3.76Å; F107-Y161 HydrophobicContact CB-CE1 4.4Å; F107-Y161 HydrophobicContact CB-CE2 3.23Å; F107-Y161 HydrophobicContact CD1-CD2 4.37Å; F107-Y161 HydrophobicContact CG-CD2 4.14Å; F107-Y161 AromaticContact CG-CE2 3.92Å; F107-Y161 HydrophobicContact CG-CE2 3.92Å; E108-Y161 WeakPolarHBondContact OE1-CE1 3.46Å; E108-Y161 PolarHBondContact OE1-OH 2.8Å; W157-Y161 CarbonylContact O-C 3.38Å; W157-Y161 PolarHBondContact O-N 3.04Å; Y161-E163 VanDerWaalsContact C-OE2 3.23Å; Y161-E163 VanDerWaalsContact CA-OE2 3.32Å; Y161-E163 WeakPolarHBondContact CA-OE2 3.49Å; Y161-E163 PolarHBondContact O-N 3.48Å; Y161-D164 WeakPolarHBondContact CB-OD2 3.27Å; Y161-D164 PolarHBondContact O-N 3.14Å
162P91.1Very high90.7Very high39 Ų3953.7 Ų53.725%0.25327%0.272SS..G310 helixtrans-57.5-29.717827.2-36.9000112.6D164 F165 F202P162-D164 PolarHBondContact O-N 3.39Å; P162-D164 VanDerWaalsContact O-N 3.12Å; P162-F165 WeakPolarHBondContact O-CB 2.96Å; P162-F165 PolarHBondContact O-N 3.21Å; P162-F202 HydrophobicContact CB-CZ 4.01Å; P162-F202 WeakPolarHBondContact O-CE2 3.5Å; P162-F202 WeakPolarHBondContact O-CZ 3.44Å
163E86.9Confident90.8Very high56 Ų5650 Ų5026%0.26225%0.249SC..G310 helixtrans-56.8-25-179.661.6-82.9-168.900114.5Y161 F165 N166 Y264Y161-E163 VanDerWaalsContact C-OE2 3.23Å; Y161-E163 VanDerWaalsContact CA-OE2 3.32Å; Y161-E163 WeakPolarHBondContact CA-OE2 3.49Å; Y161-E163 PolarHBondContact O-N 3.48Å; E163-F165 PolarHBondContact O-N 3.34Å; E163-N166 PolarHBondContact O-N 3.44Å; E163-Y264 HydrophobicContact CG-CE1 3.92Å; E163-Y264 WeakPolarHBondContact CG-OH 3.48Å; E163-Y264 WeakPolarHBondContact OE1-CE1 3.48Å
164D91.1Very high90.8Very high11 Ų1149.6 Ų49.66%0.05925%0.247CC..G310 helixtrans-65.8-19.4175.8-71-27.5000114.1Y110 R111 P116 W157 Y161 P162Y110-D164 PolarHBondContact OH-OD1 2.78Å; Y110-D164 PolarHBondContact OH-OD2 2.84Å; R111-D164 IonicContact CZ-OD1 2.89Å; R111-D164 IonicContact CZ-OD2 2.78Å; R111-D164 IonicContact NE-OD1 2.58Å; R111-D164 PolarHBondContact NE-OD1 3.35Å; R111-D164 IonicContact NE-OD2 2.81Å; R111-D164 IonicContact NH2-OD1 2.75Å; R111-D164 PolarHBondContact NH2-OD1 2.81Å; R111-D164 IonicContact NH2-OD2 2.92Å; R111-D164 PolarHBondContact NH2-OD2 2.86Å; P116-D164 HydrophobicContact CB-CB 4.22Å; P116-D164 HydrophobicContact CG-CB 4.02Å; W157-D164 HydrophobicContact CZ2-CB 4.45Å; W157-D164 PolarHBondContact NE1-OD2 3.24Å; Y161-D164 WeakPolarHBondContact CB-OD2 3.27Å; Y161-D164 PolarHBondContact O-N 3.14Å; P162-D164 PolarHBondContact O-N 3.39Å; P162-D164 VanDerWaalsContact O-N 3.12Å
165F92.3Very high90.8Very high1 Ų151.8 Ų51.80%0.00426%0.259CS..G310 helixtrans-105.81.2-173.3-62-83.7000112.3W157 L158 P162 E163 E167 C173 L174 F202W157-F165 AromaticContact CD1-CE2 3.75Å; W157-F165 HydrophobicContact CD2-CE2 4Å; W157-F165 AromaticContact CD2-CZ 3.61Å; W157-F165 HydrophobicContact CD2-CZ 3.61Å; W157-F165 AromaticContact CE2-CE2 3.85Å; W157-F165 AromaticContact CE2-CZ 3.62Å; W157-F165 AromaticContact CE3-CZ 3.98Å; W157-F165 HydrophobicContact CE3-CZ 3.98Å; W157-F165 AromaticContact CG-CE2 3.96Å; W157-F165 HydrophobicContact CG-CE2 3.96Å; W157-F165 AromaticContact CG-CZ 3.99Å; W157-F165 HydrophobicContact CG-CZ 3.99Å; W157-F165 HydrophobicContact CH2-CZ 4.34Å; W157-F165 HydrophobicContact CZ2-CZ 4.01Å; W157-F165 HydrophobicContact CZ3-CZ 4.32Å; W157-F165 AromaticContact NE1-CE2 3.68Å; W157-F165 AromaticContact NE1-CZ 3.96Å; L158-F165 HydrophobicContact CD2-CD1 4.17Å; L158-F165 HydrophobicContact CD2-CD2 3.99Å; L158-F165 HydrophobicContact CD2-CE1 3.97Å; L158-F165 HydrophobicContact CD2-CE2 3.78Å; L158-F165 HydrophobicContact CD2-CG 4.18Å; L158-F165 HydrophobicContact CD2-CZ 3.76Å; L158-F165 HydrophobicContact CG-CE2 4.42Å; L158-F165 HydrophobicContact CG-CZ 4.38Å; P162-F165 WeakPolarHBondContact O-CB 2.96Å; P162-F165 PolarHBondContact O-N 3.21Å; E163-F165 PolarHBondContact O-N 3.34Å; F165-E167 PolarHBondContact O-N 3.03Å; F165-C173 HydrophobicContact CD1-CB 3.7Å; F165-C173 HydrophobicContact CE1-CB 4.09Å; F165-L174 HydrophobicContact CB-CD1 3.98Å; F165-L174 HydrophobicContact CB-CD2 3.77Å; F165-L174 HydrophobicContact CB-CG 3.77Å; F165-L174 HydrophobicContact CD1-CD2 3.73Å; F165-L174 HydrophobicContact CD1-CG 4.09Å; F165-L174 HydrophobicContact CG-CD2 3.89Å; F165-L174 HydrophobicContact CG-CG 4.29Å; F165-F202 HydrophobicContact CB-CE2 4.19Å
166N87.2Confident90.8Very high82 Ų8248.3 Ų48.344%0.43925%0.248SC..  trans-83.963.6-178.9-166.95.9000111.8E163 H168 F202E163-N166 PolarHBondContact O-N 3.44Å; N166-H168 PolarHBondContact O-N 3.42Å; N166-F202 HydrophobicContact CB-CD1 4.26Å; N166-F202 HydrophobicContact CB-CD2 4.2Å; N166-F202 HydrophobicContact CB-CE1 4.05Å; N166-F202 HydrophobicContact CB-CE2 3.96Å; N166-F202 HydrophobicContact CB-CG 4.35Å; N166-F202 HydrophobicContact CB-CZ 3.89Å
167E83.6Confident90.8Very high52 Ų5244.5 Ų44.524%0.24323%0.234CC..  trans-95.660.9176.3-63.2171-174.700110.3F165 P169 T170 Y171 V172 C173F165-E167 PolarHBondContact O-N 3.03Å; E167-P169 CarbonylContact O-C 3.27Å; E167-T170 PolarHBondContact O-N 3.43Å; E167-T170 PolarHBondContact O-OG1 3.16Å; E167-Y171 PolarHBondContact O-N 3Å; E167-V172 WeakPolarHBondContact OE2-CB 3.39Å; E167-V172 PolarHBondContact OE2-N 2.81Å; E167-C173 PolarHBondContact OE1-SG 3.38Å; E167-C173 PolarHBondContact OE2-N 2.77Å
168H80.3Confident90.7Very high116 Ų11644.9 Ų44.954%0.53724%0.236SC..THydrogen-bonded Turntrans-62.3134.6179-179.3-80.4000111.3N166 Y171 A206N166-H168 PolarHBondContact O-N 3.42Å; H168-Y171 HydrophobicContact CB-CE1 4.42Å; H168-Y171 PolarHBondContact CD2-OH 3.21Å; H168-Y171 VanDerWaalsContact CD2-OH 3.29Å; H168-A206 WeakPolarHBondContact CD2-CB 3.38Å; H168-A206 WeakPolarHBondContact NE2-CB 2.9Å
169P81.6Confident90.7Very high93 Ų9348.4 Ų48.460%0.60426%0.255SS*.THydrogen-bonded Turncis-97.1-3.1-0.236.3-34.3000114.4E167 Y171E167-P169 CarbonylContact O-C 3.27Å; P169-Y171 WeakPolarHBondContact O-CD2 3.37Å; P169-Y171 WeakPolarHBondContact O-CE2 3.32Å
170T88.3Confident90.8Very high83 Ų8345.4 Ų45.451%0.50924%0.235SC..THydrogen-bonded Turntrans-81-29.4-167.953.10000113.4E167 V172 N175E167-T170 PolarHBondContact O-N 3.43Å; E167-T170 PolarHBondContact O-OG1 3.16Å; T170-V172 VanDerWaalsContact C-N 3.28Å; T170-V172 PolarHBondContact O-N 2.84Å; T170-N175 PolarHBondContact O-ND2 2.69Å
171Y90.4Very high90.8Very high18 Ų1841.6 Ų41.67%0.07122%0.222CC..  trans46.148.3180-55.4-70.9000112.8E167 H168 P169 C173 L174 N175 R199 F202 A203E167-Y171 PolarHBondContact O-N 3Å; H168-Y171 HydrophobicContact CB-CE1 4.42Å; H168-Y171 PolarHBondContact CD2-OH 3.21Å; H168-Y171 VanDerWaalsContact CD2-OH 3.29Å; P169-Y171 WeakPolarHBondContact O-CD2 3.37Å; P169-Y171 WeakPolarHBondContact O-CE2 3.32Å; Y171-C173 PolarHBondContact O-N 2.86Å; Y171-L174 HydrophobicContact CD1-CD1 4.19Å; Y171-L174 PolarHBondContact O-N 3Å; Y171-L174 VanDerWaalsContact O-N 3.15Å; Y171-N175 PolarHBondContact O-N 3.1Å; Y171-N175 PolarHBondContact O-ND2 3.04Å; Y171-R199 HydrophobicContact CD2-CG 4.04Å; Y171-R199 HydrophobicContact CG-CG 4.04Å; Y171-F202 HydrophobicContact CE1-CB 3.66Å; Y171-F202 HydrophobicContact CE1-CD2 4.37Å; Y171-F202 HydrophobicContact CE1-CG 4.43Å; Y171-A203 PolarHBondContact OH-N 2.87Å
172V93.9Very high90.8Very high72 Ų7248.2 Ų48.244%0.43625%0.247SC..Hα-helixtrans-59.1-47.1-167.6-174.60000111I117 E167 T170 L174 N175 K176I117-V172 HydrophobicContact CD1-CG1 4.27Å; E167-V172 WeakPolarHBondContact OE2-CB 3.39Å; E167-V172 PolarHBondContact OE2-N 2.81Å; T170-V172 VanDerWaalsContact C-N 3.28Å; T170-V172 PolarHBondContact O-N 2.84Å; V172-L174 PolarHBondContact O-N 3.47Å; V172-N175 PolarHBondContact O-N 3.14Å; V172-K176 VanDerWaalsContact O-CB 3.31Å; V172-K176 WeakPolarHBondContact O-CB 3.47Å; V172-K176 PolarHBondContact O-N 3.48Å
173C94.2Very high90.8Very high0 Ų052.6 Ų52.60%026%0.264CS..Hα-helixtrans-61-43178.5-70.20000112.9L120 F165 E167 Y171 L177L120-C173 HydrophobicContact CD2-CB 3.9Å; L120-C173 VanDerWaalsContact CD2-O 3.28Å; L120-C173 WeakPolarHBondContact CD2-O 3.26Å; F165-C173 HydrophobicContact CD1-CB 3.7Å; F165-C173 HydrophobicContact CE1-CB 4.09Å; E167-C173 PolarHBondContact OE1-SG 3.38Å; E167-C173 PolarHBondContact OE2-N 2.77Å; Y171-C173 PolarHBondContact O-N 2.86Å; C173-L177 PolarHBondContact O-N 3.41Å; C173-L177 VanDerWaalsContact O-N 3.13Å
174L94.7Very high90.8Very high0 Ų050.9 Ų50.90%026%0.256CS..Hα-helixtrans-69.3-44.2-179.8-67.2171.1000111.4L158 F165 Y171 V172 K176 L177 I178 A195 V198 R199 F202L158-L174 HydrophobicContact CD2-CD2 3.9Å; F165-L174 HydrophobicContact CB-CD1 3.98Å; F165-L174 HydrophobicContact CB-CD2 3.77Å; F165-L174 HydrophobicContact CB-CG 3.77Å; F165-L174 HydrophobicContact CD1-CD2 3.73Å; F165-L174 HydrophobicContact CD1-CG 4.09Å; F165-L174 HydrophobicContact CG-CD2 3.89Å; F165-L174 HydrophobicContact CG-CG 4.29Å; Y171-L174 HydrophobicContact CD1-CD1 4.19Å; Y171-L174 PolarHBondContact O-N 3Å; Y171-L174 VanDerWaalsContact O-N 3.15Å; V172-L174 PolarHBondContact O-N 3.47Å; L174-K176 VanDerWaalsContact C-N 3.35Å; L174-K176 PolarHBondContact O-N 3.38Å; L174-L177 PolarHBondContact O-N 3.34Å; L174-I178 WeakPolarHBondContact O-CD1 3.34Å; L174-I178 VanDerWaalsContact O-CG1 3.23Å; L174-I178 WeakPolarHBondContact O-CG1 3.37Å; L174-I178 PolarHBondContact O-N 3.05Å; L174-A195 HydrophobicContact CD2-CB 4.22Å; L174-V198 HydrophobicContact CD1-CG1 4.13Å; L174-V198 HydrophobicContact CD2-CB 4.32Å; L174-V198 HydrophobicContact CD2-CG1 4.13Å; L174-R199 HydrophobicContact CB-CB 4.47Å; L174-R199 HydrophobicContact CD1-CB 3.79Å; L174-R199 HydrophobicContact CD1-CG 4.23Å; L174-F202 HydrophobicContact CD1-CD2 4.24Å
175N94.7Very high90.1Very high48 Ų4859 Ų5926%0.25729%0.286SS..Hα-helixtrans-62.6-43.7177.9-71.3-30.9000111T170 Y171 V172 L177 I178 D179 R199T170-N175 PolarHBondContact O-ND2 2.69Å; Y171-N175 PolarHBondContact O-N 3.1Å; Y171-N175 PolarHBondContact O-ND2 3.04Å; V172-N175 PolarHBondContact O-N 3.14Å; N175-L177 VanDerWaalsContact C-N 3.3Å; N175-L177 PolarHBondContact O-N 3.42Å; N175-I178 PolarHBondContact O-N 3.46Å; N175-I178 VanDerWaalsContact O-N 3.16Å; N175-D179 WeakPolarHBondContact O-CB 3.31Å; N175-D179 VanDerWaalsContact O-CG 3.32Å; N175-D179 PolarHBondContact O-N 3.43Å; N175-R199 PolarHBondContact OD1-NH1 3.07Å
176K94.7Very high89.5Confident86 Ų8666 Ų6637%0.37432%0.323SS..Hα-helixtrans-58.3-40.4175.4-169.3173.6-173.7172.10112.6I117 L120 S121 L124 V172 L174 F180I117-K176 HydrophobicContact CD1-CD 3.86Å; L120-K176 HydrophobicContact CD2-CB 4.38Å; L120-K176 HydrophobicContact CD2-CD 4.45Å; S121-K176 PolarHBondContact OG-NZ 3.01Å; L124-K176 HydrophobicContact CD1-CD 4.17Å; L124-K176 HydrophobicContact CD1-CG 3.87Å; V172-K176 VanDerWaalsContact O-CB 3.31Å; V172-K176 WeakPolarHBondContact O-CB 3.47Å; V172-K176 PolarHBondContact O-N 3.48Å; L174-K176 VanDerWaalsContact C-N 3.35Å; L174-K176 PolarHBondContact O-N 3.38Å; K176-F180 WeakPolarHBondContact O-CB 3.43Å; K176-F180 PolarHBondContact O-N 3.13Å
177L94.3Very high89.4Confident2 Ų265.5 Ų65.51%0.0132%0.32CS..Hα-helixtrans-71-38.8177.1-175.759.4000112.4L124 L154 L158 C173 L174 N175 S181 A195L124-L177 HydrophobicContact CD2-CD1 4.11Å; L154-L177 HydrophobicContact CD1-CD1 4.39Å; L158-L177 HydrophobicContact CD1-CD2 3.8Å; L158-L177 HydrophobicContact CD2-CD2 4.3Å; L158-L177 HydrophobicContact CG-CD2 4.4Å; C173-L177 PolarHBondContact O-N 3.41Å; C173-L177 VanDerWaalsContact O-N 3.13Å; L174-L177 PolarHBondContact O-N 3.34Å; N175-L177 VanDerWaalsContact C-N 3.3Å; N175-L177 PolarHBondContact O-N 3.42Å; L177-S181 WeakPolarHBondContact O-CB 3.5Å; L177-S181 PolarHBondContact O-N 2.92Å; L177-A195 HydrophobicContact CB-CB 4.44Å; L177-A195 HydrophobicContact CD2-CB 3.9Å; L177-A195 HydrophobicContact CG-CB 4.18Å
178I94Very high89.7Confident8 Ų863.1 Ų63.14%0.04131%0.309CS..Hα-helixtrans-63-47.3175.1-69.4163.6000110.2L174 N175 S181 R182 A195 A196L174-I178 WeakPolarHBondContact O-CD1 3.34Å; L174-I178 VanDerWaalsContact O-CG1 3.23Å; L174-I178 WeakPolarHBondContact O-CG1 3.37Å; L174-I178 PolarHBondContact O-N 3.05Å; N175-I178 PolarHBondContact O-N 3.46Å; N175-I178 VanDerWaalsContact O-N 3.16Å; I178-S181 PolarHBondContact O-N 2.63Å; I178-S181 PolarHBondContact O-OG 2.98Å; I178-R182 WeakPolarHBondContact O-CG 3.31Å; I178-R182 PolarHBondContact O-N 3.07Å; I178-R182 VanDerWaalsContact O-N 3.07Å; I178-A195 HydrophobicContact CD1-CB 4.48Å; I178-A195 HydrophobicContact CG1-CB 3.86Å; I178-A196 HydrophobicContact CD1-CB 4.19Å
179D94.3Very high90.1Very high76 Ų7660.4 Ų60.441%0.40630%0.298SS..Hα-helixtrans-65.5-42.7-179.3-66-28.1000111.2N175 S181 R182 E183N175-D179 WeakPolarHBondContact O-CB 3.31Å; N175-D179 VanDerWaalsContact O-CG 3.32Å; N175-D179 PolarHBondContact O-N 3.43Å; D179-S181 VanDerWaalsContact C-N 3.31Å; D179-S181 PolarHBondContact O-N 2.69Å; D179-R182 WeakPolarHBondContact O-CB 3.45Å; D179-R182 PolarHBondContact O-N 3.19Å; D179-R182 VanDerWaalsContact O-N 3.09Å; D179-R182 IonicContact OD1-NH1 2.56Å; D179-R182 PolarHBondContact OD1-NH1 3.07Å; D179-R182 VanDerWaalsContact OD1-NH1 3.13Å; D179-E183 PolarHBondContact O-N 3.32Å; D179-E183 VanDerWaalsContact O-N 3.14Å
180F94.3Very high90.6Very high18 Ų1860 Ų608%0.07929%0.287CS..Hα-helixtrans-60.3-38.2172.9-172.4-101000113L124 L127 H128 L131 K176 R182 E183 H184 L188L124-F180 HydrophobicContact CD1-CB 4.4Å; L124-F180 HydrophobicContact CD1-CG 4.48Å; L124-F180 HydrophobicContact CD2-CB 4.27Å; L124-F180 HydrophobicContact CD2-CD1 3.51Å; L124-F180 HydrophobicContact CD2-CD2 4.34Å; L124-F180 HydrophobicContact CD2-CE1 3.8Å; L124-F180 HydrophobicContact CD2-CG 3.78Å; L124-F180 HydrophobicContact CD2-CZ 4.34Å; L127-F180 HydrophobicContact CB-CE1 4.1Å; L127-F180 HydrophobicContact CB-CZ 3.97Å; L127-F180 HydrophobicContact CD1-CE1 4.34Å; H128-F180 HydrophobicContact CB-CE2 4.04Å; H128-F180 HydrophobicContact CB-CZ 4.26Å; L131-F180 HydrophobicContact CD1-CE1 4.39Å; L131-F180 HydrophobicContact CD1-CZ 4.26Å; K176-F180 WeakPolarHBondContact O-CB 3.43Å; K176-F180 PolarHBondContact O-N 3.13Å; F180-R182 VanDerWaalsContact C-N 3.31Å; F180-R182 PolarHBondContact O-N 3.44Å; F180-E183 PolarHBondContact O-N 2.94Å; F180-H184 AromaticContact CE1-CD2 3.87Å; F180-H184 AromaticContact CE2-CD2 3.8Å; F180-H184 AromaticContact CE2-NE2 3.76Å; F180-H184 AromaticContact CZ-CD2 3.6Å; F180-H184 AromaticContact CZ-NE2 3.77Å; F180-H184 PolarHBondContact O-N 3.23Å; F180-L188 HydrophobicContact CD1-CD1 3.64Å; F180-L188 HydrophobicContact CE1-CD1 3.4Å; F180-L188 HydrophobicContact CZ-CD1 4.5Å
181S93.2Very high90.7Very high7 Ų756.1 Ų56.15%0.04926%0.263CS..Hα-helixtrans-65.3-35.2176.174.70000112.3L177 I178 D179 H184 R185 G192L177-S181 WeakPolarHBondContact O-CB 3.5Å; L177-S181 PolarHBondContact O-N 2.92Å; I178-S181 PolarHBondContact O-N 2.63Å; I178-S181 PolarHBondContact O-OG 2.98Å; D179-S181 VanDerWaalsContact C-N 3.31Å; D179-S181 PolarHBondContact O-N 2.69Å; S181-H184 CarbonylContact O-C 3.51Å; S181-H184 VanDerWaalsContact O-C 3.31Å; S181-H184 PolarHBondContact O-N 3.31Å; S181-R185 PolarHBondContact O-N 3.23Å; S181-G192 VanDerWaalsContact OG-CA 3.23Å; S181-G192 WeakPolarHBondContact OG-CA 3.34Å
182R92.6Very high90.8Very high145 Ų14555.6 Ų55.655%0.54726%0.263SS..Hα-helixtrans-70.7-30.6178.5-71166.8172174.3-8.3112.9I178 D179 F180 H184 R185I178-R182 WeakPolarHBondContact O-CG 3.31Å; I178-R182 PolarHBondContact O-N 3.07Å; I178-R182 VanDerWaalsContact O-N 3.07Å; D179-R182 WeakPolarHBondContact O-CB 3.45Å; D179-R182 PolarHBondContact O-N 3.19Å; D179-R182 VanDerWaalsContact O-N 3.09Å; D179-R182 IonicContact OD1-NH1 2.56Å; D179-R182 PolarHBondContact OD1-NH1 3.07Å; D179-R182 VanDerWaalsContact OD1-NH1 3.13Å; F180-R182 VanDerWaalsContact C-N 3.31Å; F180-R182 PolarHBondContact O-N 3.44Å; R182-H184 VanDerWaalsContact C-N 3.27Å; R182-R185 WeakPolarHBondContact O-CG 3.15Å
183E90.5Very high90.8Very high131 Ų13158.8 Ų58.861%0.61227%0.273SS*.Hα-helixtrans-68.1-29.1173.5-69.2175.4-173.900112.2D179 F180D179-E183 PolarHBondContact O-N 3.32Å; D179-E183 VanDerWaalsContact O-N 3.14Å; F180-E183 PolarHBondContact O-N 2.94Å
184H86.9Confident90.8Very high20 Ų2062.3 Ų62.39%0.09329%0.289CS..THydrogen-bonded Turntrans-117.550.3-176.8-63-56.3000112.4H128 L131 F180 S181 R182 L187 L188H128-H184 AromaticContact ND1-NE2 3.83Å; L131-H184 HydrophobicContact CD1-CB 4.22Å; L131-H184 VanDerWaalsContact CD1-CD2 3.49Å; L131-H184 WeakPolarHBondContact CD1-CD2 3.05Å; F180-H184 AromaticContact CE1-CD2 3.87Å; F180-H184 AromaticContact CE2-CD2 3.8Å; F180-H184 AromaticContact CE2-NE2 3.76Å; F180-H184 AromaticContact CZ-CD2 3.6Å; F180-H184 AromaticContact CZ-NE2 3.77Å; F180-H184 PolarHBondContact O-N 3.23Å; S181-H184 CarbonylContact O-C 3.51Å; S181-H184 VanDerWaalsContact O-C 3.31Å; S181-H184 PolarHBondContact O-N 3.31Å; R182-H184 VanDerWaalsContact C-N 3.27Å; H184-L187 PolarHBondContact O-N 3.37Å; H184-L188 HydrophobicContact CB-CD1 4.04Å; H184-L188 HydrophobicContact CB-CG 4.35Å; H184-L188 PolarHBondContact O-N 3.34Å
185R76.6Confident90.7Very high182 Ų18262.3 Ų62.369%0.68729%0.289SS*.THydrogen-bonded Turntrans-48148.5178.7-58.1-163.6-178.9-157.11.6112.6S181 R182 L187S181-R185 PolarHBondContact O-N 3.23Å; R182-R185 WeakPolarHBondContact O-CG 3.15Å; R185-L187 PolarHBondContact O-N 3.1Å; R185-L187 VanDerWaalsContact O-N 3.16Å
186N79.8Confident90.7Very high146 Ų14661.6 Ų61.678%0.78129%0.289SS*.THydrogen-bonded Turntrans72.5-22.3-176.1-47.1-49.3000115.3D189N186-D189 WeakPolarHBondContact CA-OD2 3.12Å; N186-D189 PolarHBondContact N-OD1 3.3Å; N186-D189 VanDerWaalsContact N-OD1 3.15Å; N186-D189 PolarHBondContact N-OD2 3.18Å
187L84.9Confident90.7Very high73 Ų7360.1 Ų60.138%0.38229%0.293SS..THydrogen-bonded Turntrans-99.6-36-178.7-67.5176.6000113L131 F147 H184 R185 F190L131-L187 HydrophobicContact CD2-CD1 3.72Å; F147-L187 HydrophobicContact CZ-CB 4.43Å; H184-L187 PolarHBondContact O-N 3.37Å; R185-L187 PolarHBondContact O-N 3.1Å; R185-L187 VanDerWaalsContact O-N 3.16Å; L187-F190 WeakPolarHBondContact O-CE1 3.07Å
188L90.2Very high90.6Very high2 Ų260.2 Ų60.21%0.0129%0.294CS..SBendtrans-119.310.9-173.5-61-178.5000113.6L131 F147 F180 H184 F190 L191 G192L131-L188 HydrophobicContact CD1-CD1 4.07Å; F147-L188 HydrophobicContact CE2-CD2 3.91Å; F147-L188 HydrophobicContact CZ-CD2 3.79Å; F180-L188 HydrophobicContact CD1-CD1 3.64Å; F180-L188 HydrophobicContact CE1-CD1 3.4Å; F180-L188 HydrophobicContact CZ-CD1 4.5Å; H184-L188 HydrophobicContact CB-CD1 4.04Å; H184-L188 HydrophobicContact CB-CG 4.35Å; H184-L188 PolarHBondContact O-N 3.34Å; L188-F190 VanDerWaalsContact C-N 3.26Å; L188-F190 PolarHBondContact O-N 2.7Å; L188-L191 HydrophobicContact CD2-CD1 4.07Å; L188-L191 WeakPolarHBondContact O-CB 3.33Å; L188-L191 PolarHBondContact O-N 3.32Å; L188-G192 PolarHBondContact O-N 2.88Å
189D88.9Confident90.5Very high58 Ų5863.9 Ų63.931%0.3131%0.307SS..Hα-helixtrans-56.2-41.3-175.9-61.8-17.5000111.6N186 L191 G192 E193N186-D189 WeakPolarHBondContact CA-OD2 3.12Å; N186-D189 PolarHBondContact N-OD1 3.3Å; N186-D189 VanDerWaalsContact N-OD1 3.15Å; N186-D189 PolarHBondContact N-OD2 3.18Å; D189-L191 VanDerWaalsContact C-N 3.28Å; D189-L191 PolarHBondContact O-N 3.22Å; D189-G192 PolarHBondContact O-N 3.18Å; D189-G192 VanDerWaalsContact O-N 3.11Å; D189-E193 WeakPolarHBondContact O-CB 3.46Å; D189-E193 WeakPolarHBondContact O-CG 3.02Å; D189-E193 PolarHBondContact O-N 3.19Å
190F90.8Very high90.4Very high84 Ų8463.3 Ų63.337%0.36831%0.309SS..Hα-helixtrans-61.2-31.7176.973-85.9000113.8C151 L187 L188 K194C151-F190 HydrophobicContact CB-CE2 4.33Å; C151-F190 HydrophobicContact CB-CZ 3.73Å; L187-F190 WeakPolarHBondContact O-CE1 3.07Å; L188-F190 VanDerWaalsContact C-N 3.26Å; L188-F190 PolarHBondContact O-N 2.7Å; F190-K194 WeakPolarHBondContact O-CB 3.05Å; F190-K194 PolarHBondContact O-N 3.25Å
191L91.4Very high90.2Very high2 Ų266.2 Ų66.21%0.0132%0.323CS..Hα-helixtrans-76.2-41.2174.1-70.1-179.9000110.7L154 R155 L188 D189 K194 A195L154-L191 HydrophobicContact CB-CD1 4.15Å; L154-L191 HydrophobicContact CB-CD2 4.05Å; L154-L191 HydrophobicContact CD1-CD1 3.76Å; R155-L191 HydrophobicContact CB-CD2 4.17Å; L188-L191 HydrophobicContact CD2-CD1 4.07Å; L188-L191 WeakPolarHBondContact O-CB 3.33Å; L188-L191 PolarHBondContact O-N 3.32Å; D189-L191 VanDerWaalsContact C-N 3.28Å; D189-L191 PolarHBondContact O-N 3.22Å; L191-K194 PolarHBondContact O-N 3.2Å; L191-A195 WeakPolarHBondContact O-CB 3.44Å; L191-A195 PolarHBondContact O-N 3.22Å
192G92.1Very high90.1Very high7 Ų766.4 Ų66.47%0.07232%0.323CS..Hα-helixtrans-59.2-47.3175.800000112.2S181 L188 D189 A195 A196S181-G192 VanDerWaalsContact OG-CA 3.23Å; S181-G192 WeakPolarHBondContact OG-CA 3.34Å; L188-G192 PolarHBondContact O-N 2.88Å; D189-G192 PolarHBondContact O-N 3.18Å; D189-G192 VanDerWaalsContact O-N 3.11Å; G192-A195 PolarHBondContact O-N 3.46Å; G192-A196 WeakPolarHBondContact O-CB 3.39Å; G192-A196 PolarHBondContact O-N 2.68Å
193E93.5Very high89.9Confident139 Ų13962.2 Ų62.265%0.6532%0.319SS*.Hα-helixtrans-60.6-45.1175-73.1174.3-173.500111.8D189 A196 A197D189-E193 WeakPolarHBondContact O-CB 3.46Å; D189-E193 WeakPolarHBondContact O-CG 3.02Å; D189-E193 PolarHBondContact O-N 3.19Å; E193-A196 PolarHBondContact O-N 2.87Å; E193-A197 WeakPolarHBondContact O-CB 3.14Å; E193-A197 PolarHBondContact O-N 3.42Å
194K93.9Very high89.7Confident75 Ų7564.1 Ų64.133%0.32632%0.321SS..Hα-helixtrans-63.4-44177.3-177.761.1176.8174.50111.7L158 T159 F190 L191 A197 V198L158-K194 HydrophobicContact CB-CG 4.19Å; L158-K194 HydrophobicContact CD1-CB 4.28Å; L158-K194 HydrophobicContact CD1-CG 3.85Å; T159-K194 WeakPolarHBondContact OG1-CE 3.43Å; F190-K194 WeakPolarHBondContact O-CB 3.05Å; F190-K194 PolarHBondContact O-N 3.25Å; L191-K194 PolarHBondContact O-N 3.2Å; K194-A197 PolarHBondContact O-N 3.09Å; K194-V198 WeakPolarHBondContact O-CG2 3.37Å; K194-V198 PolarHBondContact O-N 3.23Å
195A93.7Very high89.5Confident0 Ų067.3 Ų67.30%034%0.336CS..Hα-helixtrans-64-42.2177.500000111.6L158 L174 L177 I178 L191 G192 V198 R199L158-A195 HydrophobicContact CD1-CB 4.45Å; L174-A195 HydrophobicContact CD2-CB 4.22Å; L177-A195 HydrophobicContact CB-CB 4.44Å; L177-A195 HydrophobicContact CD2-CB 3.9Å; L177-A195 HydrophobicContact CG-CB 4.18Å; I178-A195 HydrophobicContact CD1-CB 4.48Å; I178-A195 HydrophobicContact CG1-CB 3.86Å; L191-A195 WeakPolarHBondContact O-CB 3.44Å; L191-A195 PolarHBondContact O-N 3.22Å; G192-A195 PolarHBondContact O-N 3.46Å; A195-V198 PolarHBondContact O-N 2.83Å; A195-R199 PolarHBondContact O-N 3.25Å
196A94Very high89.5Confident32 Ų3261.1 Ų61.126%0.26432%0.323SS..Hα-helixtrans-63.2-40.8174.700000112.1I178 G192 E193 R199 S200I178-A196 HydrophobicContact CD1-CB 4.19Å; G192-A196 WeakPolarHBondContact O-CB 3.39Å; G192-A196 PolarHBondContact O-N 2.68Å; E193-A196 PolarHBondContact O-N 2.87Å; A196-R199 PolarHBondContact O-N 3.09Å; A196-S200 PolarHBondContact O-N 2.89Å; A196-S200 PolarHBondContact O-OG 2.84Å; A196-S200 VanDerWaalsContact O-OG 3.1Å
197A94.4Very high88.8Confident56 Ų5657.7 Ų57.746%0.46332%0.323SS..Hα-helixtrans-62.9-43.4175.900000112.2E193 K194 S200 Q201E193-A197 WeakPolarHBondContact O-CB 3.14Å; E193-A197 PolarHBondContact O-N 3.42Å; K194-A197 PolarHBondContact O-N 3.09Å; A197-S200 PolarHBondContact O-N 3.34Å; A197-Q201 PolarHBondContact O-N 3.33Å
198V92.3Very high87.7Confident4 Ų460.5 Ų60.52%0.02433%0.334CS..Hα-helixtrans-63.2-43.6175.4172.60000110.9L174 K194 A195 S200 Q201 F202L174-V198 HydrophobicContact CD1-CG1 4.13Å; L174-V198 HydrophobicContact CD2-CB 4.32Å; L174-V198 HydrophobicContact CD2-CG1 4.13Å; K194-V198 WeakPolarHBondContact O-CG2 3.37Å; K194-V198 PolarHBondContact O-N 3.23Å; A195-V198 PolarHBondContact O-N 2.83Å; V198-S200 PolarHBondContact O-N 3.01Å; V198-Q201 WeakPolarHBondContact O-CB 2.92Å; V198-Q201 PolarHBondContact O-N 2.83Å; V198-F202 HydrophobicContact CG1-CD2 3.86Å; V198-F202 HydrophobicContact CG1-CE2 3.4Å; V198-F202 HydrophobicContact CG1-CZ 4.11Å; V198-F202 PolarHBondContact O-N 2.89Å
199R92.8Very high85.7Confident84 Ų8465.4 Ų65.432%0.31737%0.368SS..Hα-helixtrans-59.5-45.7176.1-168.4-177.867.7171.14.9112Y171 L174 N175 A195 A196 Q201 F202 A203Y171-R199 HydrophobicContact CD2-CG 4.04Å; Y171-R199 HydrophobicContact CG-CG 4.04Å; L174-R199 HydrophobicContact CB-CB 4.47Å; L174-R199 HydrophobicContact CD1-CB 3.79Å; L174-R199 HydrophobicContact CD1-CG 4.23Å; N175-R199 PolarHBondContact OD1-NH1 3.07Å; A195-R199 PolarHBondContact O-N 3.25Å; A196-R199 PolarHBondContact O-N 3.09Å; R199-Q201 VanDerWaalsContact C-N 3.3Å; R199-Q201 PolarHBondContact O-N 3.2Å; R199-F202 PolarHBondContact O-N 3.38Å; R199-A203 WeakPolarHBondContact O-CB 3.47Å; R199-A203 PolarHBondContact O-N 3.33Å
200S91.7Very high83.8Confident64 Ų6467.9 Ų67.945%0.44839%0.388SS..Hα-helixtrans-65-33.9177.3-63.80000112.3A196 A197 V198 R204A196-S200 PolarHBondContact O-N 2.89Å; A196-S200 PolarHBondContact O-OG 2.84Å; A196-S200 VanDerWaalsContact O-OG 3.1Å; A197-S200 PolarHBondContact O-N 3.34Å; V198-S200 PolarHBondContact O-N 3.01Å; S200-R204 WeakPolarHBondContact O-CG 3.38Å; S200-R204 PolarHBondContact O-N 3.45Å
201Q90.8Very high81.5Confident80 Ų8068 Ų6837%0.37440%0.397SS..Hα-helixtrans-62.1-53.3172.9177.4-179.5-8.200111A197 V198 R199 A203 R204 E205A197-Q201 PolarHBondContact O-N 3.33Å; V198-Q201 WeakPolarHBondContact O-CB 2.92Å; V198-Q201 PolarHBondContact O-N 2.83Å; R199-Q201 VanDerWaalsContact C-N 3.3Å; R199-Q201 PolarHBondContact O-N 3.2Å; Q201-A203 VanDerWaalsContact C-N 3.33Å; Q201-A203 PolarHBondContact O-N 3.44Å; Q201-R204 PolarHBondContact O-N 2.82Å; Q201-R204 VanDerWaalsContact O-N 3.12Å; Q201-E205 WeakPolarHBondContact CG-OE1 3.37Å; Q201-E205 PolarHBondContact NE2-OE1 3.31Å; Q201-E205 WeakPolarHBondContact O-CG 3.47Å; Q201-E205 PolarHBondContact O-N 2.81Å; Q201-E205 VanDerWaalsContact O-N 3.08Å
202F89.6Confident79Confident11 Ų1171.5 Ų71.55%0.04842%0.421CS..Hα-helixtrans-63.2-37.1-180-67.8-42.2000113.3P162 F165 N166 Y171 L174 V198 R199 R204 E205 A206P162-F202 HydrophobicContact CB-CZ 4.01Å; P162-F202 WeakPolarHBondContact O-CE2 3.5Å; P162-F202 WeakPolarHBondContact O-CZ 3.44Å; F165-F202 HydrophobicContact CB-CE2 4.19Å; N166-F202 HydrophobicContact CB-CD1 4.26Å; N166-F202 HydrophobicContact CB-CD2 4.2Å; N166-F202 HydrophobicContact CB-CE1 4.05Å; N166-F202 HydrophobicContact CB-CE2 3.96Å; N166-F202 HydrophobicContact CB-CG 4.35Å; N166-F202 HydrophobicContact CB-CZ 3.89Å; Y171-F202 HydrophobicContact CE1-CB 3.66Å; Y171-F202 HydrophobicContact CE1-CD2 4.37Å; Y171-F202 HydrophobicContact CE1-CG 4.43Å; L174-F202 HydrophobicContact CD1-CD2 4.24Å; V198-F202 HydrophobicContact CG1-CD2 3.86Å; V198-F202 HydrophobicContact CG1-CE2 3.4Å; V198-F202 HydrophobicContact CG1-CZ 4.11Å; V198-F202 PolarHBondContact O-N 2.89Å; R199-F202 PolarHBondContact O-N 3.38Å; F202-R204 VanDerWaalsContact C-N 3.28Å; F202-R204 PolarHBondContact O-N 3.05Å; F202-E205 PolarHBondContact O-N 3.48Å; F202-A206 WeakPolarHBondContact O-CB 3.36Å; F202-A206 PolarHBondContact O-N 3.41Å
203A88Confident76.5Confident56 Ų5677.3 Ų77.346%0.46344%0.44SS..Hα-helixtrans-61.4-35.317500000112.7Y171 R199 Q201Y171-A203 PolarHBondContact OH-N 2.87Å; R199-A203 WeakPolarHBondContact O-CB 3.47Å; R199-A203 PolarHBondContact O-N 3.33Å; Q201-A203 VanDerWaalsContact C-N 3.33Å; Q201-A203 PolarHBondContact O-N 3.44Å
204R87.2Confident73.9Confident172 Ų17274 Ų7465%0.64943%0.427SS*.Hα-helixtrans-72.8-35.4174.5-69.5-177.6-53.6-175.36.2112.8S200 Q201 F202 Q208S200-R204 WeakPolarHBondContact O-CG 3.38Å; S200-R204 PolarHBondContact O-N 3.45Å; Q201-R204 PolarHBondContact O-N 2.82Å; Q201-R204 VanDerWaalsContact O-N 3.12Å; F202-R204 VanDerWaalsContact C-N 3.28Å; F202-R204 PolarHBondContact O-N 3.05Å; R204-Q208 PolarHBondContact O-NE2 3Å
205E83.2Confident71.1Confident87 Ų8773.6 Ų73.641%0.40743%0.428SS..Hα-helixtrans-73.7-36.2179.3-70.7172.1-169.600111.8Q201 F202 G207 Q208Q201-E205 WeakPolarHBondContact CG-OE1 3.37Å; Q201-E205 PolarHBondContact NE2-OE1 3.31Å; Q201-E205 WeakPolarHBondContact O-CG 3.47Å; Q201-E205 PolarHBondContact O-N 2.81Å; Q201-E205 VanDerWaalsContact O-N 3.08Å; F202-E205 PolarHBondContact O-N 3.48Å; E205-G207 PolarHBondContact O-N 3.42Å; E205-Q208 PolarHBondContact O-N 3.09Å; E205-Q208 VanDerWaalsContact O-O 3.12Å
206A76.8Confident68.3Low51 Ų5178.9 Ų78.942%0.42146%0.46SS..Hα-helixtrans-65.8-26178.100000113.7H168 F202 Q208H168-A206 WeakPolarHBondContact CD2-CB 3.38Å; H168-A206 WeakPolarHBondContact NE2-CB 2.9Å; F202-A206 WeakPolarHBondContact O-CB 3.36Å; F202-A206 PolarHBondContact O-N 3.41Å; A206-Q208 VanDerWaalsContact C-N 3.27Å
207G63.7Low65.5Low75 Ų7580 Ų8077%0.77348%0.475SS*.THydrogen-bonded Turntrans-79.2-7.1172.500000114.1E205E205-G207 PolarHBondContact O-N 3.42Å
208Q62.8Low62.6Low131 Ų13184 Ų8461%0.61249%0.488SS*.SBendtrans-102.7140.4177-66.4169.54800108.9R204 E205 A206R204-Q208 PolarHBondContact O-NE2 3Å; E205-Q208 PolarHBondContact O-N 3.09Å; E205-Q208 VanDerWaalsContact O-O 3.12Å; A206-Q208 VanDerWaalsContact C-N 3.27Å
209S47.3Very low60Low105 Ų10587 Ų8773%0.73450%0.503SS*.  trans-52.3138.5170.954.90000109.1
210P49.3Very low57.6Low110 Ų11086 Ų8671%0.71451%0.509SS*.  trans-46134.7179.7-24.730.5000109.7C212P210-C212 PolarHBondContact O-N 3.34Å
211P42.7Very low55.1Low87 Ų8792.6 Ų92.657%0.56552%0.524SS*.  trans-52.6116.4171-19.428.6000106.7W213P211-W213 HydrophobicContact CB-CD2 4.41Å; P211-W213 HydrophobicContact CB-CZ2 4.05Å; P211-W213 HydrophobicContact CG-CZ2 4.16Å; P211-W213 PolarHBondContact O-N 2.87Å; P211-W213 PolarHBondContact O-NE1 2.67Å
212C40.4Very low52.7Low75 Ų7593.3 Ų93.351%0.50753%0.534SS..  trans-70.185.9179.7-164.90000106.8P210 I214 D215P210-C212 PolarHBondContact O-N 3.34Å; C212-I214 PolarHBondContact O-N 3.43Å; C212-I214 VanDerWaalsContact SG-C 3.53Å; C212-I214 PolarHBondContact SG-O 3.49Å; C212-D215 WeakPolarHBondContact SG-CA 3.36Å
213W38.3Very low50.5Low129 Ų12994.7 Ų94.749%0.48954%0.543SS..SBendtrans-64.1-21.4-175.4-61.998.4000111.6P211 K260P211-W213 HydrophobicContact CB-CD2 4.41Å; P211-W213 HydrophobicContact CB-CZ2 4.05Å; P211-W213 HydrophobicContact CG-CZ2 4.16Å; P211-W213 PolarHBondContact O-N 2.87Å; P211-W213 PolarHBondContact O-NE1 2.67Å; W213-K260 HydrophobicContact CE3-CD 4.21Å; W213-K260 HydrophobicContact CZ3-CD 3.64Å
214I39Very low48.4Very low71 Ų7195.2 Ų95.236%0.36454%0.538SS..SBendtrans-133.7115.7166.1-62.2169.6000105.1C212 T216 A289 D292C212-I214 PolarHBondContact O-N 3.43Å; C212-I214 VanDerWaalsContact SG-C 3.53Å; C212-I214 PolarHBondContact SG-O 3.49Å; I214-T216 HydrophobicContact CG2-CG2 4.33Å; I214-T216 PolarHBondContact O-N 3.26Å; I214-A289 HydrophobicContact CD1-CB 4.27Å; I214-D292 HydrophobicContact CD1-CB 3.66Å
215D34.7Very low46.2Very low65 Ų6591.5 Ų91.535%0.34853%0.531SS..  trans-59.182.2172.4-153.98.4000109.5C212 G217 R521C212-D215 WeakPolarHBondContact SG-CA 3.36Å; D215-G217 VanDerWaalsContact C-N 3.28Å; D215-G217 PolarHBondContact O-N 3.29Å; D215-R521 IonicContact OD2-CZ 3.27Å; D215-R521 IonicContact OD2-NH1 3.04Å; D215-R521 PolarHBondContact OD2-NH1 2.97Å; D215-R521 IonicContact OD2-NH2 3.01Å
216T34.7Very low44.3Very low111 Ų11194.8 Ų94.868%0.68154%0.541SS*.  trans-72.286.2-179.638.80000108.3I214 L218I214-T216 HydrophobicContact CG2-CG2 4.33Å; I214-T216 PolarHBondContact O-N 3.26Å; T216-L218 VanDerWaalsContact C-N 3.3Å; T216-L218 PolarHBondContact O-N 3.05Å
217G36.2Very low42.6Very low55 Ų5596 Ų9657%0.56754%0.543SS*.SBendtrans77.3-11.9153.400000118.3D215 I219D215-G217 VanDerWaalsContact C-N 3.28Å; D215-G217 PolarHBondContact O-N 3.29Å; G217-I219 PolarHBondContact O-N 3.36Å
218L33.7Very low41.6Very low142 Ų14295.8 Ų95.874%0.74353%0.533SS*.  trans-97.293.4173.9-73.1169.9000110.2T216 S220T216-L218 VanDerWaalsContact C-N 3.3Å; T216-L218 PolarHBondContact O-N 3.05Å; L218-S220 PolarHBondContact O-N 3.21Å; L218-S220 VanDerWaalsContact O-N 3.1Å
219I38.3Very low40.5Very low67 Ų6795.2 Ų95.234%0.34454%0.535SS..  trans-51.1116168-56.2179.4000108.1G217 R221 V223 L224 F600G217-I219 PolarHBondContact O-N 3.36Å; I219-R221 PolarHBondContact O-N 3.43Å; I219-V223 HydrophobicContact CG2-CB 3.43Å; I219-V223 VanDerWaalsContact CG2-CB 3.43Å; I219-V223 HydrophobicContact CG2-CG1 3.44Å; I219-V223 VanDerWaalsContact CG2-CG1 3.44Å; I219-L224 HydrophobicContact CB-CD1 4.02Å; I219-L224 HydrophobicContact CD1-CD1 4.04Å; I219-L224 HydrophobicContact CG2-CB 4.1Å; I219-L224 HydrophobicContact CG2-CD1 3.92Å; I219-F600 HydrophobicContact CD1-CE1 3.81Å; I219-F600 HydrophobicContact CD1-CE2 4.33Å; I219-F600 HydrophobicContact CD1-CZ 3.5Å; I219-F600 HydrophobicContact CG1-CE1 4.4Å; I219-F600 HydrophobicContact CG1-CZ 3.95Å
220S41Very low40.1Very low63 Ų6393.2 Ų93.244%0.44153%0.531SS..  trans-48.8142.3171.4169.20000110L218 T222 V223 L224L218-S220 PolarHBondContact O-N 3.21Å; L218-S220 VanDerWaalsContact O-N 3.1Å; S220-T222 PolarHBondContact O-N 2.9Å; S220-V223 CarbonylContact O-C 3.55Å; S220-V223 WeakPolarHBondContact O-CA 3.2Å; S220-V223 WeakPolarHBondContact O-CB 3.23Å; S220-V223 PolarHBondContact O-N 2.86Å; S220-L224 PolarHBondContact O-N 3.03Å
221R38.6Very low39.7Very low201 Ų20190.7 Ų90.776%0.75852%0.515SS*.Hα-helixtrans-46.6-39.5179.1-164.689.7172.6-158.1-1111.8I219 V223 L224 D225I219-R221 PolarHBondContact O-N 3.43Å; R221-V223 VanDerWaalsContact C-N 3.34Å; R221-V223 PolarHBondContact O-N 3.41Å; R221-L224 WeakPolarHBondContact O-CB 3.22Å; R221-L224 PolarHBondContact O-N 2.9Å; R221-D225 PolarHBondContact O-N 2.81Å
222T41.3Very low39.7Very low96 Ų9688.2 Ų88.259%0.58950%0.499SS*.Hα-helixtrans-64.8-34.8177.3-36.90000113.2S220 Y226S220-T222 PolarHBondContact O-N 2.9Å; T222-Y226 WeakPolarHBondContact O-CB 3.26Å; T222-Y226 PolarHBondContact O-N 2.93Å
223V43.2Very low39.7Very low39 Ų3990.7 Ų90.724%0.23652%0.517CS..Hα-helixtrans-78.8-32.2176.3-177.40000110.4I219 S220 R221 Y226 V227 L518I219-V223 HydrophobicContact CG2-CB 3.43Å; I219-V223 VanDerWaalsContact CG2-CB 3.43Å; I219-V223 HydrophobicContact CG2-CG1 3.44Å; I219-V223 VanDerWaalsContact CG2-CG1 3.44Å; S220-V223 CarbonylContact O-C 3.55Å; S220-V223 WeakPolarHBondContact O-CA 3.2Å; S220-V223 WeakPolarHBondContact O-CB 3.23Å; S220-V223 PolarHBondContact O-N 2.86Å; R221-V223 VanDerWaalsContact C-N 3.34Å; R221-V223 PolarHBondContact O-N 3.41Å; V223-Y226 PolarHBondContact O-N 2.99Å; V223-V227 HydrophobicContact CG1-CG2 4.23Å; V223-V227 WeakPolarHBondContact O-CB 3.29Å; V223-V227 VanDerWaalsContact O-CG2 3.24Å; V223-V227 WeakPolarHBondContact O-CG2 3.48Å; V223-V227 PolarHBondContact O-N 3.22Å; V223-L518 HydrophobicContact CG1-CD2 3.45Å; V223-L518 VanDerWaalsContact CG1-CD2 3.45Å; V223-L518 HydrophobicContact CG2-CD2 4.4Å
224L44.8Very low39.6Very low68 Ų6888.8 Ų88.836%0.35652%0.522SS..Hα-helixtrans-65.9-43.5174.6-15378000111I219 S220 R221 Y226 V227 A228 F600I219-L224 HydrophobicContact CB-CD1 4.02Å; I219-L224 HydrophobicContact CD1-CD1 4.04Å; I219-L224 HydrophobicContact CG2-CB 4.1Å; I219-L224 HydrophobicContact CG2-CD1 3.92Å; S220-L224 PolarHBondContact O-N 3.03Å; R221-L224 WeakPolarHBondContact O-CB 3.22Å; R221-L224 PolarHBondContact O-N 2.9Å; L224-Y226 VanDerWaalsContact C-N 3.28Å; L224-Y226 PolarHBondContact O-N 3.3Å; L224-V227 PolarHBondContact O-N 2.89Å; L224-A228 WeakPolarHBondContact O-CB 3.42Å; L224-A228 PolarHBondContact O-N 3.47Å; L224-F600 HydrophobicContact CD1-CD1 3.93Å; L224-F600 HydrophobicContact CD1-CE1 3.48Å; L224-F600 VanDerWaalsContact CD1-CE1 3.48Å
225D41Very low39.9Very low93 Ų9393.9 Ų93.950%0.49754%0.538SS..Hα-helixtrans-63.4-34.7173.3-68.6-21.8000111.5R221 N229R221-D225 PolarHBondContact O-N 2.81Å; D225-N229 PolarHBondContact O-N 2.93Å; D225-N229 PolarHBondContact O-ND2 3.44Å; D225-N229 VanDerWaalsContact O-ND2 3.17Å
226Y42Very low40.9Very low156 Ų15692.9 Ų92.961%0.61253%0.533SS*.Hα-helixtrans-72.9-35.3177.2-120.5-96.3000113.8T222 V223 L224T222-Y226 WeakPolarHBondContact O-CB 3.26Å; T222-Y226 PolarHBondContact O-N 2.93Å; V223-Y226 PolarHBondContact O-N 2.99Å; L224-Y226 VanDerWaalsContact C-N 3.28Å; L224-Y226 PolarHBondContact O-N 3.3Å
227V42Very low42.4Very low78 Ų7890.7 Ų90.747%0.47352%0.517SS..Hα-helixtrans-78.9-36.2177.4172.90000111V223 L224 N229 G230V223-V227 HydrophobicContact CG1-CG2 4.23Å; V223-V227 WeakPolarHBondContact O-CB 3.29Å; V223-V227 VanDerWaalsContact O-CG2 3.24Å; V223-V227 WeakPolarHBondContact O-CG2 3.48Å; V223-V227 PolarHBondContact O-N 3.22Å; L224-V227 PolarHBondContact O-N 2.89Å; V227-N229 PolarHBondContact O-N 3.25Å; V227-G230 PolarHBondContact O-N 3.11Å
228A42.9Very low44.3Very low69 Ų6988.9 Ų88.957%0.5749%0.494SS*.Hα-helixtrans-62.8-28.617500000112.5L224 G230L224-A228 WeakPolarHBondContact O-CB 3.42Å; L224-A228 PolarHBondContact O-N 3.47Å; A228-G230 PolarHBondContact O-N 3.38Å; A228-G230 VanDerWaalsContact O-N 3.1Å
229N39.7Very low46Very low120 Ų12084.1 Ų84.164%0.64247%0.471SS*.THydrogen-bonded Turntrans-77.418.2175.9-69.2-15.5000114.3D225 V227 S231D225-N229 PolarHBondContact O-N 2.93Å; D225-N229 PolarHBondContact O-ND2 3.44Å; D225-N229 VanDerWaalsContact O-ND2 3.17Å; V227-N229 PolarHBondContact O-N 3.25Å; N229-S231 PolarHBondContact O-N 2.9Å; N229-S231 PolarHBondContact O-OG 3.49Å
230G37.6Very low47.7Very low63 Ų6388.3 Ų88.365%0.64949%0.488SS*.THydrogen-bonded Turntrans65.610.5163.800000116.5V227 A228V227-G230 PolarHBondContact O-N 3.11Å; A228-G230 PolarHBondContact O-N 3.38Å; A228-G230 VanDerWaalsContact O-N 3.1Å
231S41.8Very low49.3Very low56 Ų5686.1 Ų86.139%0.39247%0.474SS..  trans-107.314.4-161.8-62.70000115N229 Y235N229-S231 PolarHBondContact O-N 2.9Å; N229-S231 PolarHBondContact O-OG 3.49Å; S231-Y235 WeakPolarHBondContact O-CD2 3.43Å; S231-Y235 WeakPolarHBondContact O-CE2 3.45Å
232V41.9Very low51.4Low36 Ų3680 Ų8022%0.21846%0.457CS..SBendtrans-127.4-17.4-170.9-169.20000114.9C234 L518V232-C234 PolarHBondContact O-N 2.83Å; V232-C234 VanDerWaalsContact O-N 3.15Å; V232-L518 HydrophobicContact CG1-CB 4.47Å
233S42Very low53.2Low127 Ų12776.7 Ų76.789%0.88844%0.437SS*.THydrogen-bonded Turntrans-70.8-6.6172.6-172.80000113.4
234C36.2Very low54.9Low89 Ų8976.9 Ų76.960%0.60144%0.436SS*.THydrogen-bonded Turntrans-1162.2-166.448.90000116.3V232V232-C234 PolarHBondContact O-N 2.83Å; V232-C234 VanDerWaalsContact O-N 3.15Å
235Y44Very low56.8Low178 Ų17876.4 Ų76.470%0.69843%0.43SS*.SBendtrans-105.6-16.5-168.6-78-85.6000117.2S231S231-Y235 WeakPolarHBondContact O-CD2 3.43Å; S231-Y235 WeakPolarHBondContact O-CE2 3.45Å
236L55.7Low58.9Low44 Ų4472 Ų7223%0.2341%0.407CS..  trans-135.795.8169.4-102.897.5000109.7L238 A241 Y245 I246 W519L236-L238 PolarHBondContact O-N 2.72Å; L236-A241 HydrophobicContact CD2-CB 3.6Å; L236-A241 HydrophobicContact CG-CB 4.09Å; L236-Y245 HydrophobicContact CD1-CE1 4.39Å; L236-Y245 HydrophobicContact CD2-CD1 4.3Å; L236-Y245 HydrophobicContact CD2-CE1 4.02Å; L236-I246 HydrophobicContact CD2-CG1 4.44Å; L236-W519 HydrophobicContact CB-CD2 4Å; L236-W519 HydrophobicContact CB-CG 3.88Å; L236-W519 HydrophobicContact CB-CZ2 4.37Å; L236-W519 HydrophobicContact CD2-CD2 4.22Å; L236-W519 HydrophobicContact CD2-CE3 4.36Å; L236-W519 HydrophobicContact CD2-CZ2 4.43Å; L236-W519 PolarHBondContact O-NE1 3.48Å
237D66.6Low60.7Low65 Ų6564.7 Ų64.735%0.34838%0.379SS..  trans-73.5119.7158.6-176.8-21.9000107.2T239 H240 A241D237-T239 PolarHBondContact O-N 2.74Å; D237-T239 WeakPolarHBondContact OD1-CB 3.27Å; D237-T239 PolarHBondContact OD1-N 3.11Å; D237-T239 PolarHBondContact OD1-OG1 3.44Å; D237-T239 PolarHBondContact OD2-OG1 2.88Å; D237-H240 HydrophobicContact CB-CB 4.21Å; D237-H240 CarbonylContact O-C 3.57Å; D237-H240 PolarHBondContact O-N 2.91Å; D237-H240 IonicContact OD2-CD2 2.75Å; D237-H240 PolarHBondContact OD2-CD2 3.07Å; D237-A241 WeakPolarHBondContact O-CB 3.3Å; D237-A241 PolarHBondContact O-N 3.36Å
238L75.2Confident62.7Low17 Ų1762.9 Ų62.99%0.08937%0.365CS..THydrogen-bonded Turntrans-50.1-32.3178.2-179.274.1000112L236 H240 I246 I319 A322 W323 W519L236-L238 PolarHBondContact O-N 2.72Å; L238-H240 VanDerWaalsContact C-N 3.34Å; L238-I246 HydrophobicContact CD1-CD1 3.77Å; L238-I319 HydrophobicContact CD2-CB 4.42Å; L238-I319 HydrophobicContact CD2-CG2 3.77Å; L238-A322 HydrophobicContact CD2-CB 4.2Å; L238-A322 HydrophobicContact CG-CB 3.88Å; L238-W323 HydrophobicContact CD1-CD2 4.29Å; L238-W323 HydrophobicContact CD1-CH2 4.28Å; L238-W323 HydrophobicContact CD1-CZ2 3.93Å; L238-W323 HydrophobicContact CD2-CD2 4.31Å; L238-W323 HydrophobicContact CD2-CG 4.3Å; L238-W323 HydrophobicContact CD2-CZ2 4.26Å; L238-W323 VanDerWaalsContact CD2-NE1 3.27Å; L238-W519 HydrophobicContact CD1-CH2 4.11Å; L238-W519 HydrophobicContact CD1-CZ2 4.28Å
239T69.7Low64.8Low41 Ų4160 Ų6025%0.25234%0.34SS..THydrogen-bonded Turntrans-78.7-15.9-179.368.30000113.9D237 K318 I319D237-T239 PolarHBondContact O-N 2.74Å; D237-T239 WeakPolarHBondContact OD1-CB 3.27Å; D237-T239 PolarHBondContact OD1-N 3.11Å; D237-T239 PolarHBondContact OD1-OG1 3.44Å; D237-T239 PolarHBondContact OD2-OG1 2.88Å; T239-K318 HydrophobicContact CG2-CB 3.92Å; T239-I319 HydrophobicContact CG2-CG1 4.24Å
240H73.5Confident67.1Low155 Ų15554.4 Ų54.472%0.71831%0.31SS*.THydrogen-bonded Turntrans-112.1-15.3177.5-70-66.8000113.8D237 L238D237-H240 HydrophobicContact CB-CB 4.21Å; D237-H240 CarbonylContact O-C 3.57Å; D237-H240 PolarHBondContact O-N 2.91Å; D237-H240 IonicContact OD2-CD2 2.75Å; D237-H240 PolarHBondContact OD2-CD2 3.07Å; L238-H240 VanDerWaalsContact C-N 3.34Å
241A75.7Confident69.3Low17 Ų1751.8 Ų51.814%0.1428%0.281CS..SBendtrans-68.3144.7177.300000111.7L236 D237 P243 I246L236-A241 HydrophobicContact CD2-CB 3.6Å; L236-A241 HydrophobicContact CG-CB 4.09Å; D237-A241 WeakPolarHBondContact O-CB 3.3Å; D237-A241 PolarHBondContact O-N 3.36Å; A241-P243 WeakPolarHBondContact O-CD 3.33Å; A241-I246 HydrophobicContact CB-CD1 3.68Å; A241-I246 HydrophobicContact CB-CG1 4.25Å
242D82Confident71.4Confident73 Ų7349.5 Ų49.539%0.3927%0.265SS..  trans-64.6117173.3-177.6-2.8000109.7L244 Y245 I246D242-L244 PolarHBondContact O-N 3.09Å; D242-L244 VanDerWaalsContact O-N 3.15Å; D242-L244 WeakPolarHBondContact OD1-CB 3.33Å; D242-L244 PolarHBondContact OD1-N 3.43Å; D242-Y245 WeakPolarHBondContact O-CB 3.27Å; D242-Y245 PolarHBondContact O-N 3.34Å; D242-I246 PolarHBondContact O-N 3.36Å
243P78.8Confident73.6Confident26 Ų2649 Ų4917%0.16926%0.262CS..Hα-helixtrans-59.2-27.7179.6-23.734.6000113.2A241 A247 L325 V326 V329A241-P243 WeakPolarHBondContact O-CD 3.33Å; P243-A247 VanDerWaalsContact O-CB 3.31Å; P243-A247 WeakPolarHBondContact O-CB 3.28Å; P243-A247 PolarHBondContact O-N 3.2Å; P243-L325 HydrophobicContact CB-CB 3.84Å; P243-L325 HydrophobicContact CG-CB 3.85Å; P243-L325 HydrophobicContact CG-CD1 4.24Å; P243-V326 HydrophobicContact CB-CG2 3.96Å; P243-V329 HydrophobicContact CB-CG2 4.48Å
244L79.8Confident75.8Confident44 Ų4444.1 Ų44.123%0.2323%0.226CC..Hα-helixtrans-66.9-47.1174.7175.761.7000111.1D242 I246 A247 E248 V329D242-L244 PolarHBondContact O-N 3.09Å; D242-L244 VanDerWaalsContact O-N 3.15Å; D242-L244 WeakPolarHBondContact OD1-CB 3.33Å; D242-L244 PolarHBondContact OD1-N 3.43Å; L244-I246 VanDerWaalsContact C-N 3.34Å; L244-I246 PolarHBondContact O-N 3.24Å; L244-A247 WeakPolarHBondContact O-CB 3.38Å; L244-A247 PolarHBondContact O-N 3.15Å; L244-E248 HydrophobicContact CD1-CG 4.02Å; L244-E248 VanDerWaalsContact CD1-OE1 3.3Å; L244-E248 WeakPolarHBondContact CD1-OE1 3.36Å; L244-E248 HydrophobicContact CG-CG 4.33Å; L244-E248 WeakPolarHBondContact CG-OE1 3.4Å; L244-E248 WeakPolarHBondContact O-CB 3.36Å; L244-E248 VanDerWaalsContact O-CG 3.23Å; L244-E248 WeakPolarHBondContact O-CG 3.33Å; L244-E248 PolarHBondContact O-N 3.37Å; L244-V329 HydrophobicContact CB-CG1 3.84Å; L244-V329 HydrophobicContact CD1-CG1 3.22Å; L244-V329 HydrophobicContact CG-CG1 4.1Å
245Y85Confident78.2Confident57 Ų5740.2 Ų40.222%0.22420%0.2CC..Hα-helixtrans-59.2-44.7178.1170.3-100.7000111.7L236 D242 A247 E248 Q249 D513 F516L236-Y245 HydrophobicContact CD1-CE1 4.39Å; L236-Y245 HydrophobicContact CD2-CD1 4.3Å; L236-Y245 HydrophobicContact CD2-CE1 4.02Å; D242-Y245 WeakPolarHBondContact O-CB 3.27Å; D242-Y245 PolarHBondContact O-N 3.34Å; Y245-A247 PolarHBondContact O-N 2.91Å; Y245-E248 PolarHBondContact O-N 3.09Å; Y245-Q249 HydrophobicContact CD2-CG 4.2Å; Y245-Q249 HydrophobicContact CE1-CG 4.37Å; Y245-Q249 HydrophobicContact CE2-CG 3.87Å; Y245-Q249 WeakPolarHBondContact O-CG 3.24Å; Y245-Q249 PolarHBondContact O-N 3.14Å; Y245-D513 VanDerWaalsContact OH-CG 3.32Å; Y245-D513 PolarHBondContact OH-OD2 2.96Å; Y245-F516 HydrophobicContact CE1-CB 4.5Å; Y245-F516 AromaticContact CE1-CD2 3.85Å; Y245-F516 HydrophobicContact CE1-CD2 3.85Å
246I83.9Confident80.4Confident1 Ų134.9 Ų34.91%0.00518%0.181CC..Hα-helixtrans-61.2-47.1175.8-62.1170.5000110.7L236 L238 A241 D242 L244 E248 Q249 L250 W323 V326 F516 W519L236-I246 HydrophobicContact CD2-CG1 4.44Å; L238-I246 HydrophobicContact CD1-CD1 3.77Å; A241-I246 HydrophobicContact CB-CD1 3.68Å; A241-I246 HydrophobicContact CB-CG1 4.25Å; D242-I246 PolarHBondContact O-N 3.36Å; L244-I246 VanDerWaalsContact C-N 3.34Å; L244-I246 PolarHBondContact O-N 3.24Å; I246-E248 VanDerWaalsContact C-N 3.3Å; I246-E248 PolarHBondContact O-N 2.68Å; I246-Q249 PolarHBondContact O-N 2.82Å; I246-L250 HydrophobicContact CG2-CD1 3.91Å; I246-L250 HydrophobicContact CG2-CG 4.33Å; I246-L250 WeakPolarHBondContact O-CG 3.28Å; I246-L250 PolarHBondContact O-N 2.88Å; I246-W323 HydrophobicContact CG2-CZ3 4.27Å; I246-V326 HydrophobicContact CB-CG1 4.33Å; I246-V326 HydrophobicContact CB-CG2 3.91Å; I246-V326 HydrophobicContact CD1-CG2 4.08Å; I246-V326 HydrophobicContact CG2-CG1 3.83Å; I246-V326 HydrophobicContact CG2-CG2 3.88Å; I246-F516 HydrophobicContact CB-CE2 4.25Å; I246-F516 HydrophobicContact CG1-CE2 4.22Å; I246-F516 HydrophobicContact CG2-CE2 4.06Å; I246-F516 HydrophobicContact CG2-CZ 4.23Å; I246-W519 HydrophobicContact CD1-CH2 4.17Å; I246-W519 HydrophobicContact CG1-CH2 4.42Å
247A81.2Confident82Confident3 Ų333.8 Ų33.83%0.02518%0.176CC..Hα-helixtrans-59.4-41.8178.300000111.9P243 L244 Y245 T251 V326 V329 S330P243-A247 VanDerWaalsContact O-CB 3.31Å; P243-A247 WeakPolarHBondContact O-CB 3.28Å; P243-A247 PolarHBondContact O-N 3.2Å; L244-A247 WeakPolarHBondContact O-CB 3.38Å; L244-A247 PolarHBondContact O-N 3.15Å; Y245-A247 PolarHBondContact O-N 2.91Å; A247-T251 VanDerWaalsContact O-CB 3.28Å; A247-T251 WeakPolarHBondContact O-CB 3.32Å; A247-T251 PolarHBondContact O-N 3.05Å; A247-T251 PolarHBondContact O-OG1 3.48Å; A247-V326 HydrophobicContact CB-CG1 4.14Å; A247-V329 HydrophobicContact CB-CB 4.43Å; A247-V329 HydrophobicContact CB-CG1 4.42Å; A247-S330 VanDerWaalsContact CB-OG 3.29Å; A247-S330 WeakPolarHBondContact CB-OG 3.23Å
248E84.1Confident83.1Confident39 Ų3930.8 Ų30.818%0.18216%0.16CC..Hα-helixtrans-62.7-48.6177.9-75178.2-179.400112.1L244 Y245 I246 T251 C252 R333 I510L244-E248 HydrophobicContact CD1-CG 4.02Å; L244-E248 VanDerWaalsContact CD1-OE1 3.3Å; L244-E248 WeakPolarHBondContact CD1-OE1 3.36Å; L244-E248 HydrophobicContact CG-CG 4.33Å; L244-E248 WeakPolarHBondContact CG-OE1 3.4Å; L244-E248 WeakPolarHBondContact O-CB 3.36Å; L244-E248 VanDerWaalsContact O-CG 3.23Å; L244-E248 WeakPolarHBondContact O-CG 3.33Å; L244-E248 PolarHBondContact O-N 3.37Å; Y245-E248 PolarHBondContact O-N 3.09Å; I246-E248 VanDerWaalsContact C-N 3.3Å; I246-E248 PolarHBondContact O-N 2.68Å; E248-T251 PolarHBondContact O-N 3Å; E248-C252 WeakPolarHBondContact O-CB 3.33Å; E248-C252 PolarHBondContact O-N 2.91Å; E248-R333 VanDerWaalsContact CG-CZ 3.46Å; E248-R333 IonicContact OE1-CZ 3.8Å; E248-R333 IonicContact OE1-NE 3.62Å; E248-R333 PolarHBondContact OE1-NE 3.47Å; E248-R333 IonicContact OE1-NH1 2.74Å; E248-R333 IonicContact OE1-NH2 3.57Å; E248-R333 PolarHBondContact OE1-NH2 2.81Å; E248-R333 IonicContact OE2-NH2 3.9Å; E248-I510 HydrophobicContact CB-CD1 4.4Å; E248-I510 HydrophobicContact CB-CG2 4.01Å
249Q87Confident83.8Confident10 Ų1033.9 Ų33.95%0.04717%0.174CC..Hα-helixtrans-69.2-36.3-177.6-66.6-59.6-43.500112.8Y245 I246 C252 T253 E511 F516Y245-Q249 HydrophobicContact CD2-CG 4.2Å; Y245-Q249 HydrophobicContact CE1-CG 4.37Å; Y245-Q249 HydrophobicContact CE2-CG 3.87Å; Y245-Q249 WeakPolarHBondContact O-CG 3.24Å; Y245-Q249 PolarHBondContact O-N 3.14Å; I246-Q249 PolarHBondContact O-N 2.82Å; Q249-C252 WeakPolarHBondContact O-CB 3.47Å; Q249-C252 PolarHBondContact O-N 3.11Å; Q249-T253 PolarHBondContact O-N 2.68Å; Q249-T253 PolarHBondContact O-OG1 3.41Å; Q249-T253 VanDerWaalsContact O-OG1 3.07Å; Q249-E511 PolarHBondContact NE2-O 3.29Å; Q249-F516 HydrophobicContact CB-CB 4.13Å; Q249-F516 HydrophobicContact CB-CD1 3.35Å; Q249-F516 HydrophobicContact CB-CD2 3.64Å; Q249-F516 HydrophobicContact CB-CE1 3.54Å; Q249-F516 HydrophobicContact CB-CE2 3.81Å; Q249-F516 HydrophobicContact CB-CG 3.4Å; Q249-F516 VanDerWaalsContact CB-CG 3.4Å; Q249-F516 HydrophobicContact CB-CZ 3.77Å; Q249-F516 HydrophobicContact CG-CB 3.93Å; Q249-F516 HydrophobicContact CG-CD1 4.13Å; Q249-F516 HydrophobicContact CG-CD2 3.87Å; Q249-F516 HydrophobicContact CG-CE2 4.43Å; Q249-F516 HydrophobicContact CG-CG 3.69Å
250L86.6Confident84.8Confident1 Ų136.9 Ų36.91%0.00518%0.183CC..Hα-helixtrans-66-44.7170.6-65.3175.3000111.1I246 C252 T253 D254 V297 W323 V326 F378 F516 F520I246-L250 HydrophobicContact CG2-CD1 3.91Å; I246-L250 HydrophobicContact CG2-CG 4.33Å; I246-L250 WeakPolarHBondContact O-CG 3.28Å; I246-L250 PolarHBondContact O-N 2.88Å; L250-C252 VanDerWaalsContact C-N 3.28Å; L250-C252 PolarHBondContact O-N 2.91Å; L250-T253 PolarHBondContact O-N 3.4Å; L250-D254 PolarHBondContact O-N 3.35Å; L250-V297 HydrophobicContact CD1-CG1 4.5Å; L250-V297 HydrophobicContact CD2-CG2 4.04Å; L250-W323 HydrophobicContact CD1-CZ3 4.24Å; L250-V326 HydrophobicContact CD1-CG1 4.4Å; L250-F378 HydrophobicContact CB-CE1 3.51Å; L250-F378 HydrophobicContact CB-CE2 4.23Å; L250-F378 HydrophobicContact CB-CZ 3.22Å; L250-F378 HydrophobicContact CD1-CD1 4.47Å; L250-F378 HydrophobicContact CD1-CE1 3.81Å; L250-F378 HydrophobicContact CD1-CZ 4.34Å; L250-F378 HydrophobicContact CG-CE1 4.24Å; L250-F378 HydrophobicContact CG-CZ 4.39Å; L250-F516 HydrophobicContact CD2-CE1 3.92Å; L250-F516 HydrophobicContact CD2-CZ 3.8Å; L250-F516 HydrophobicContact CG-CE1 4.27Å; L250-F516 HydrophobicContact CG-CZ 3.83Å; L250-F520 HydrophobicContact CD2-CD2 3.93Å; L250-F520 HydrophobicContact CD2-CE2 3.68Å; L250-F520 HydrophobicContact CD2-CZ 4.13Å
251T85.4Confident85.6Confident9 Ų929.7 Ų29.76%0.05515%0.15CC..Hα-helixtrans-60.3-39.6176.7-56.30000111.4A247 E248 D254 A255 F378 Y508 I510A247-T251 VanDerWaalsContact O-CB 3.28Å; A247-T251 WeakPolarHBondContact O-CB 3.32Å; A247-T251 PolarHBondContact O-N 3.05Å; A247-T251 PolarHBondContact O-OG1 3.48Å; E248-T251 PolarHBondContact O-N 3Å; T251-D254 PolarHBondContact O-N 2.67Å; T251-A255 WeakPolarHBondContact O-CB 3.46Å; T251-A255 PolarHBondContact O-N 3.24Å; T251-F378 WeakPolarHBondContact OG1-CE2 3.47Å; T251-Y508 HydrophobicContact CG2-CD1 4.06Å; T251-Y508 HydrophobicContact CG2-CD2 4.43Å; T251-Y508 HydrophobicContact CG2-CE1 3.66Å; T251-Y508 HydrophobicContact CG2-CE2 4.07Å; T251-Y508 HydrophobicContact CG2-CG 4.43Å; T251-I510 HydrophobicContact CG2-CD1 4.04Å
252C86Confident86.4Confident7 Ų731 Ų315%0.04715%0.154CC..Hα-helixtrans-58.1-49.4176.1-177.80000110.7E248 Q249 L250 A255 E256 I510E248-C252 WeakPolarHBondContact O-CB 3.33Å; E248-C252 PolarHBondContact O-N 2.91Å; Q249-C252 WeakPolarHBondContact O-CB 3.47Å; Q249-C252 PolarHBondContact O-N 3.11Å; L250-C252 VanDerWaalsContact C-N 3.28Å; L250-C252 PolarHBondContact O-N 2.91Å; C252-A255 PolarHBondContact O-N 3.31Å; C252-E256 WeakPolarHBondContact O-CG 3.47Å; C252-E256 PolarHBondContact O-N 3.23Å; C252-I510 HydrophobicContact CB-CB 4.08Å; C252-I510 HydrophobicContact CB-CG2 3.84Å
253T86.8Confident86.9Confident25 Ų2527.8 Ų27.815%0.15314%0.137CC..Hα-helixtrans-62.4-46.5177.8-52.90000111.8Q249 L250 A255 E256 L257 Q293Q249-T253 PolarHBondContact O-N 2.68Å; Q249-T253 PolarHBondContact O-OG1 3.41Å; Q249-T253 VanDerWaalsContact O-OG1 3.07Å; L250-T253 PolarHBondContact O-N 3.4Å; T253-A255 PolarHBondContact O-N 3.4Å; T253-E256 PolarHBondContact O-N 3.28Å; T253-L257 HydrophobicContact CG2-CD1 4.45Å; T253-L257 WeakPolarHBondContact O-CG 3.48Å; T253-L257 PolarHBondContact O-N 3.14Å; T253-L257 VanDerWaalsContact O-N 3.11Å; T253-Q293 HydrophobicContact CG2-CG 4.2Å
254D87.6Confident87.5Confident25 Ų2527.6 Ų27.613%0.13413%0.134CC..Hα-helixtrans-66.5-37-179.5-68.9-11.2000112L250 T251 F258 Q293 F378 V457L250-D254 PolarHBondContact O-N 3.35Å; T251-D254 PolarHBondContact O-N 2.67Å; D254-F258 WeakPolarHBondContact O-CB 3.3Å; D254-F258 PolarHBondContact O-N 2.97Å; D254-Q293 WeakPolarHBondContact OD1-CG 3.31Å; D254-F378 WeakPolarHBondContact OD2-CZ 3.48Å; D254-V457 HydrophobicContact CB-CG1 4.19Å
255A87.9Confident88.1Confident7 Ų725.9 Ų25.96%0.05812%0.124CC..Hα-helixtrans-68.3-41.6176.300000112T251 C252 T253 L257 F258 E259 V457 Y508T251-A255 WeakPolarHBondContact O-CB 3.46Å; T251-A255 PolarHBondContact O-N 3.24Å; C252-A255 PolarHBondContact O-N 3.31Å; T253-A255 PolarHBondContact O-N 3.4Å; A255-L257 PolarHBondContact O-N 2.82Å; A255-F258 PolarHBondContact O-N 3.33Å; A255-E259 WeakPolarHBondContact O-CB 3.17Å; A255-E259 PolarHBondContact O-N 2.86Å; A255-V457 HydrophobicContact CB-CG2 3.86Å; A255-Y508 HydrophobicContact CB-CD2 3.62Å; A255-Y508 HydrophobicContact CB-CE2 4.19Å; A255-Y508 HydrophobicContact CB-CG 4.38Å
256E89.3Confident88.5Confident66 Ų6623.2 Ų23.231%0.30811%0.114SC..Hα-helixtrans-59.5-45.1174.8-78178.1-162.100111.5C252 T253 K260 R517C252-E256 WeakPolarHBondContact O-CG 3.47Å; C252-E256 PolarHBondContact O-N 3.23Å; T253-E256 PolarHBondContact O-N 3.28Å; E256-K260 WeakPolarHBondContact O-CD 3.38Å; E256-K260 WeakPolarHBondContact O-CG 3.38Å; E256-K260 PolarHBondContact O-N 3.4Å; E256-R517 IonicContact OE1-NH2 2.91Å; E256-R517 PolarHBondContact OE1-NH2 3.48Å; E256-R517 VanDerWaalsContact OE1-NH2 3.09Å; E256-R517 IonicContact OE2-NH2 2.6Å; E256-R517 PolarHBondContact OE2-NH2 2.94Å
257L88.9Confident89Confident22 Ų2223.1 Ų23.112%0.11511%0.114CC..Hα-helixtrans-66.7-44.7177.4-70.3172.7000111.6T253 A255 E259 K260 L261 A289 Q293T253-L257 HydrophobicContact CG2-CD1 4.45Å; T253-L257 WeakPolarHBondContact O-CG 3.48Å; T253-L257 PolarHBondContact O-N 3.14Å; T253-L257 VanDerWaalsContact O-N 3.11Å; A255-L257 PolarHBondContact O-N 2.82Å; L257-E259 VanDerWaalsContact C-N 3.35Å; L257-E259 PolarHBondContact O-N 3.46Å; L257-K260 CarbonylContact O-C 3.51Å; L257-K260 PolarHBondContact O-N 3.19Å; L257-K260 VanDerWaalsContact O-N 3.16Å; L257-L261 PolarHBondContact O-N 2.96Å; L257-L261 VanDerWaalsContact O-N 3.1Å; L257-A289 HydrophobicContact CD2-CB 4.04Å; L257-Q293 HydrophobicContact CD1-CB 3.33Å; L257-Q293 HydrophobicContact CD1-CG 3.59Å
258F90.2Very high89.4Confident1 Ų123.4 Ų23.40%0.00412%0.115CC..Hα-helixtrans-66.5-35.6-179.9-174.3-116.9000112.4D254 A255 K260 L261 V457 P458 L498 I501 Q502 A505D254-F258 WeakPolarHBondContact O-CB 3.3Å; D254-F258 PolarHBondContact O-N 2.97Å; A255-F258 PolarHBondContact O-N 3.33Å; F258-K260 VanDerWaalsContact C-N 3.27Å; F258-K260 PolarHBondContact O-N 3.48Å; F258-L261 HydrophobicContact CD2-CB 4.46Å; F258-L261 HydrophobicContact CD2-CD2 3.82Å; F258-L261 HydrophobicContact CE2-CD2 3.75Å; F258-L261 WeakPolarHBondContact O-CB 3.25Å; F258-L261 PolarHBondContact O-N 3.32Å; F258-V457 HydrophobicContact CB-CG1 3.95Å; F258-V457 HydrophobicContact CD1-CG1 4.37Å; F258-V457 HydrophobicContact CG-CG1 4.12Å; F258-P458 HydrophobicContact CD2-CG 4.46Å; F258-P458 HydrophobicContact CE1-CG 3.98Å; F258-P458 HydrophobicContact CE2-CG 3.7Å; F258-P458 HydrophobicContact CZ-CG 3.43Å; F258-P458 VanDerWaalsContact CZ-CG 3.43Å; F258-L498 HydrophobicContact CE2-CD1 3.65Å; F258-L498 HydrophobicContact CE2-CG 4.23Å; F258-L498 HydrophobicContact CZ-CD1 3.81Å; F258-L498 HydrophobicContact CZ-CG 4.36Å; F258-I501 HydrophobicContact CE1-CB 4.39Å; F258-I501 HydrophobicContact CE1-CG2 3.95Å; F258-I501 HydrophobicContact CZ-CB 4.36Å; F258-I501 HydrophobicContact CZ-CG2 4.2Å; F258-Q502 VanDerWaalsContact CE1-CA 3.41Å; F258-Q502 HydrophobicContact CE1-CB 3.98Å; F258-Q502 HydrophobicContact CE1-CG 4.4Å; F258-Q502 HydrophobicContact CZ-CB 4.15Å; F258-Q502 WeakPolarHBondContact O-CG 3.21Å; F258-Q502 PolarHBondContact O-NE2 3.44Å; F258-A505 HydrophobicContact CD1-CB 3.79Å; F258-A505 HydrophobicContact CE1-CB 4.34Å
259E90.2Very high89.6Confident82 Ų8222.8 Ų22.838%0.38312%0.115SC..Hα-helixtrans-62.4-35.2173.1177.6168-161.900112.3A255 L257 L261 Q502 R506A255-E259 WeakPolarHBondContact O-CB 3.17Å; A255-E259 PolarHBondContact O-N 2.86Å; L257-E259 VanDerWaalsContact C-N 3.35Å; L257-E259 PolarHBondContact O-N 3.46Å; E259-L261 VanDerWaalsContact C-N 3.33Å; E259-Q502 PolarHBondContact O-NE2 3.3Å; E259-R506 HydrophobicContact CG-CG 4.44Å; E259-R506 WeakPolarHBondContact OE1-CG 3.49Å; E259-R506 IonicContact OE1-CZ 2.63Å; E259-R506 IonicContact OE1-NE 3.94Å; E259-R506 PolarHBondContact OE1-NE 2.98Å; E259-R506 IonicContact OE1-NH2 2.69Å
260K90.2Very high89.6Confident104 Ų10424 Ų2445%0.45212%0.12SC..THydrogen-bonded Turntrans-83.7-6.3178.5-68.7164174.2172.60113.6W213 E256 L257 F258 I262W213-K260 HydrophobicContact CE3-CD 4.21Å; W213-K260 HydrophobicContact CZ3-CD 3.64Å; E256-K260 WeakPolarHBondContact O-CD 3.38Å; E256-K260 WeakPolarHBondContact O-CG 3.38Å; E256-K260 PolarHBondContact O-N 3.4Å; L257-K260 CarbonylContact O-C 3.51Å; L257-K260 PolarHBondContact O-N 3.19Å; L257-K260 VanDerWaalsContact O-N 3.16Å; F258-K260 VanDerWaalsContact C-N 3.27Å; F258-K260 PolarHBondContact O-N 3.48Å; K260-I262 PolarHBondContact O-N 3.02Å
261L91.6Very high89.7Confident5 Ų525.4 Ų25.43%0.02613%0.125CC..  trans-59.9121.1-178-175.170.2000111.7L257 F258 E259 C263 V287 L460 L498 Q502L257-L261 PolarHBondContact O-N 2.96Å; L257-L261 VanDerWaalsContact O-N 3.1Å; F258-L261 HydrophobicContact CD2-CB 4.46Å; F258-L261 HydrophobicContact CD2-CD2 3.82Å; F258-L261 HydrophobicContact CE2-CD2 3.75Å; F258-L261 WeakPolarHBondContact O-CB 3.25Å; F258-L261 PolarHBondContact O-N 3.32Å; E259-L261 VanDerWaalsContact C-N 3.33Å; L261-C263 PolarHBondContact O-N 3.36Å; L261-V287 HydrophobicContact CD1-CB 4.34Å; L261-V287 HydrophobicContact CD1-CG2 3.85Å; L261-L460 HydrophobicContact CD1-CD2 4.1Å; L261-L460 HydrophobicContact CD2-CD1 3.77Å; L261-L460 HydrophobicContact CD2-CD2 4.19Å; L261-L498 HydrophobicContact CD2-CD2 3.92Å; L261-L498 HydrophobicContact CD2-CG 4.42Å; L261-Q502 PolarHBondContact O-NE2 3.1Å
262I91.9Very high89.6Confident43 Ų4328.2 Ų28.222%0.22115%0.145CC..  trans-84107.3171.8-63.8173.3000107.9K260 Y264 Q265 T286K260-I262 PolarHBondContact O-N 3.02Å; I262-Y264 HydrophobicContact CG2-CD1 3.36Å; I262-Y264 HydrophobicContact CG2-CE1 3.05Å; I262-Y264 HydrophobicContact CG2-CE2 4.39Å; I262-Y264 HydrophobicContact CG2-CG 4.16Å; I262-Y264 PolarHBondContact O-N 2.94Å; I262-Q265 HydrophobicContact CB-CG 3.99Å; I262-Q265 HydrophobicContact CG2-CG 3.84Å; I262-Q265 WeakPolarHBondContact O-CB 3.36Å; I262-Q265 PolarHBondContact O-N 3.46Å; I262-Q265 VanDerWaalsContact O-N 3.15Å; I262-T286 HydrophobicContact CB-CG2 4.39Å; I262-T286 HydrophobicContact CD1-CG2 3.85Å; I262-T286 HydrophobicContact CG1-CG2 3.87Å; I262-T286 PolarHBondContact N-OG1 3.41Å
263C92.8Very high89.1Confident6 Ų631.3 Ų31.34%0.04116%0.159CC..G310 helixtrans-65.5-34.7-166.4-68.90000114.3L261 Q265 C266 I495 L498 K499L261-C263 PolarHBondContact O-N 3.36Å; C263-Q265 PolarHBondContact O-N 3.43Å; C263-C266 WeakPolarHBondContact O-CB 3.37Å; C263-C266 PolarHBondContact O-N 3.26Å; C263-I495 HydrophobicContact CB-CG2 3.78Å; C263-L498 HydrophobicContact CB-CD2 4.41Å; C263-K499 HydrophobicContact CB-CD 4.47Å; C263-K499 HydrophobicContact CB-CG 4.09Å; C263-K499 VanDerWaalsContact SG-CG 3.52Å
264Y92Very high88.6Confident23 Ų2333.1 Ų33.19%0.0916%0.163CC..G310 helixtrans-63.9-26.5177.776.3-103.2000112.8E108 R111 E163 I262 C266 Q267 F270E108-Y264 WeakPolarHBondContact O-CB 3.22Å; R111-Y264 VanDerWaalsContact NH1-CD1 3.35Å; E163-Y264 HydrophobicContact CG-CE1 3.92Å; E163-Y264 WeakPolarHBondContact CG-OH 3.48Å; E163-Y264 WeakPolarHBondContact OE1-CE1 3.48Å; I262-Y264 HydrophobicContact CG2-CD1 3.36Å; I262-Y264 HydrophobicContact CG2-CE1 3.05Å; I262-Y264 HydrophobicContact CG2-CE2 4.39Å; I262-Y264 HydrophobicContact CG2-CG 4.16Å; I262-Y264 PolarHBondContact O-N 2.94Å; Y264-C266 PolarHBondContact O-N 3Å; Y264-C266 VanDerWaalsContact O-N 3.13Å; Y264-Q267 WeakPolarHBondContact O-CB 3.39Å; Y264-Q267 WeakPolarHBondContact O-CG 3.49Å; Y264-Q267 PolarHBondContact O-N 2.87Å; Y264-F270 HydrophobicContact CD2-CD2 4.35Å; Y264-F270 HydrophobicContact CD2-CE2 4.12Å; Y264-F270 WeakPolarHBondContact O-CD2 3.46Å
265Q92.5Very high87.7Confident7 Ų736.5 Ų36.53%0.03318%0.181CC..G310 helixtrans-63.5-18.1175.7-64.9-176.5-8.800112I262 C263 Q267 C283 V284 N285 T286 V287I262-Q265 HydrophobicContact CB-CG 3.99Å; I262-Q265 HydrophobicContact CG2-CG 3.84Å; I262-Q265 WeakPolarHBondContact O-CB 3.36Å; I262-Q265 PolarHBondContact O-N 3.46Å; I262-Q265 VanDerWaalsContact O-N 3.15Å; C263-Q265 PolarHBondContact O-N 3.43Å; Q265-Q267 VanDerWaalsContact C-N 3.26Å; Q265-Q267 PolarHBondContact O-N 2.8Å; Q265-C283 WeakPolarHBondContact CG-O 3.28Å; Q265-V284 HydrophobicContact CB-CG1 4.34Å; Q265-N285 PolarHBondContact NE2-OD1 3Å; Q265-N285 PolarHBondContact OE1-OD1 2.99Å; Q265-T286 PolarHBondContact OE1-OG1 3.09Å; Q265-V287 HydrophobicContact CB-CG2 3.49Å; Q265-V287 VanDerWaalsContact CB-CG2 3.49Å
266C93.3Very high86.5Confident1 Ų142.1 Ų42.11%0.00720%0.204CC..G310 helixtrans-73-16.1175.2-60.40000112.8C263 Y264 L464 L467C263-C266 WeakPolarHBondContact O-CB 3.37Å; C263-C266 PolarHBondContact O-N 3.26Å; Y264-C266 PolarHBondContact O-N 3Å; Y264-C266 VanDerWaalsContact O-N 3.13Å; C266-L464 HydrophobicContact CB-CD2 3.81Å; C266-L467 HydrophobicContact CB-CD1 3.73Å; C266-L467 VanDerWaalsContact O-CD1 3.24Å; C266-L467 WeakPolarHBondContact O-CD1 3.19Å
267Q93Very high84.6Confident0 Ų043.9 Ų43.90%023%0.23CC..SBendtrans-60.7141.2177.5-64.4179.9-53.500110.2Y264 Q265 C269 F270 W271 E491 I495Y264-Q267 WeakPolarHBondContact O-CB 3.39Å; Y264-Q267 WeakPolarHBondContact O-CG 3.49Å; Y264-Q267 PolarHBondContact O-N 2.87Å; Q265-Q267 VanDerWaalsContact C-N 3.26Å; Q265-Q267 PolarHBondContact O-N 2.8Å; Q267-C269 PolarHBondContact O-N 2.95Å; Q267-F270 HydrophobicContact CB-CD2 4.07Å; Q267-F270 PolarHBondContact O-N 3.07Å; Q267-W271 PolarHBondContact O-N 3.23Å; Q267-E491 PolarHBondContact NE2-OE2 3.41Å; Q267-I495 HydrophobicContact CG-CD1 3.75Å
268S90.2Very high82.6Confident9 Ų950.3 Ų50.36%0.06327%0.265CS..Hα-helixtrans-55.7-36.7-175.5-179.90000112.8F270 W271 S272 D471S268-F270 PolarHBondContact O-N 3.49Å; S268-W271 PolarHBondContact O-N 3.18Å; S268-S272 WeakPolarHBondContact O-CB 3.44Å; S268-S272 PolarHBondContact O-N 3.13Å; S268-S272 PolarHBondContact O-OG 3.3Å; S268-D471 VanDerWaalsContact CB-CB 3.45Å; S268-D471 VanDerWaalsContact CB-CG 3.49Å; S268-D471 WeakPolarHBondContact CB-OD2 3.31Å; S268-D471 PolarHBondContact OG-OD2 3.49Å
269C87.3Confident80.5Confident25 Ų2553 Ų5317%0.16928%0.284CS..Hα-helixtrans-61.2-26.3177.461.50000113.9Q267 Q273Q267-C269 PolarHBondContact O-N 2.95Å; C269-Q273 VanDerWaalsContact O-CG 3.29Å; C269-Q273 WeakPolarHBondContact O-CG 3.42Å; C269-Q273 PolarHBondContact O-NE2 2.65Å
270F88.8Confident78.3Confident36 Ų3655.6 Ų55.616%0.15831%0.311CS..Hα-helixtrans-92-50.9171.9-61.5-74000110.9R111 Y264 Q267 S268 S272 Q273 V284R111-F270 HydrophobicContact CB-CE2 4.1Å; R111-F270 HydrophobicContact CB-CZ 3.53Å; Y264-F270 HydrophobicContact CD2-CD2 4.35Å; Y264-F270 HydrophobicContact CD2-CE2 4.12Å; Y264-F270 WeakPolarHBondContact O-CD2 3.46Å; Q267-F270 HydrophobicContact CB-CD2 4.07Å; Q267-F270 PolarHBondContact O-N 3.07Å; S268-F270 PolarHBondContact O-N 3.49Å; F270-S272 VanDerWaalsContact C-N 3.28Å; F270-S272 PolarHBondContact O-N 2.69Å; F270-Q273 PolarHBondContact O-N 3.45Å; F270-V284 HydrophobicContact CB-CG1 3.67Å
271W87.8Confident76.6Confident31 Ų3154.7 Ų54.712%0.11732%0.318CS..Hα-helixtrans-61.7-31.5-175-179.3-118.7000114.1Q267 S268 Q273 R274 V284 V287 V291 L464Q267-W271 PolarHBondContact O-N 3.23Å; S268-W271 PolarHBondContact O-N 3.18Å; W271-Q273 VanDerWaalsContact C-N 3.3Å; W271-R274 WeakPolarHBondContact O-CD 3.29Å; W271-R274 WeakPolarHBondContact O-CG 3.49Å; W271-R274 PolarHBondContact O-NH1 3.46Å; W271-V284 HydrophobicContact CE3-CB 4.49Å; W271-V287 HydrophobicContact CD2-CG1 4.18Å; W271-V287 HydrophobicContact CE3-CB 4.15Å; W271-V287 HydrophobicContact CE3-CG1 3.46Å; W271-V287 VanDerWaalsContact CE3-CG1 3.46Å; W271-V287 HydrophobicContact CH2-CG1 4.17Å; W271-V287 HydrophobicContact CZ3-CB 4.1Å; W271-V287 HydrophobicContact CZ3-CG1 3.46Å; W271-V287 VanDerWaalsContact CZ3-CG1 3.46Å; W271-V291 HydrophobicContact CH2-CB 4.14Å; W271-V291 HydrophobicContact CH2-CG1 4.17Å; W271-V291 HydrophobicContact CH2-CG2 3.79Å; W271-V291 HydrophobicContact CZ2-CG2 4.2Å; W271-L464 HydrophobicContact CD2-CD1 4.35Å; W271-L464 HydrophobicContact CD2-CD2 4.43Å; W271-L464 HydrophobicContact CG-CD2 4.18Å; W271-L464 HydrophobicContact CZ2-CD1 4.11Å
272S83.2Confident75.3Confident68 Ų6857.9 Ų57.948%0.47634%0.335SS..G310 helixtrans-69.7-25.8174.360.90000113.2S268 F270 R274S268-S272 WeakPolarHBondContact O-CB 3.44Å; S268-S272 PolarHBondContact O-N 3.13Å; S268-S272 PolarHBondContact O-OG 3.3Å; F270-S272 VanDerWaalsContact C-N 3.28Å; F270-S272 PolarHBondContact O-N 2.69Å; S272-R274 VanDerWaalsContact C-N 3.32Å; S272-R274 PolarHBondContact O-N 3.4Å
273Q76.2Confident74.3Confident72 Ų7257.7 Ų57.734%0.33634%0.337SS..G310 helixtrans-86.8-0.4-176.6-59.9-167.550.600113.7C269 F270 W271 N275 K276C269-Q273 VanDerWaalsContact O-CG 3.29Å; C269-Q273 WeakPolarHBondContact O-CG 3.42Å; C269-Q273 PolarHBondContact O-NE2 2.65Å; F270-Q273 PolarHBondContact O-N 3.45Å; W271-Q273 VanDerWaalsContact C-N 3.3Å; Q273-N275 PolarHBondContact O-N 3.39Å; Q273-K276 HydrophobicContact CB-CD 4.18Å; Q273-K276 HydrophobicContact CG-CD 4.25Å; Q273-K276 PolarHBondContact O-N 2.88Å
274R76.6Confident73.8Confident62 Ų6257.4 Ų57.423%0.23434%0.335CS..G310 helixtrans-53.3-22.9-175.971.6-177.8-179.2-83.7-0.7115.6W271 S272 V284W271-R274 WeakPolarHBondContact O-CD 3.29Å; W271-R274 WeakPolarHBondContact O-CG 3.49Å; W271-R274 PolarHBondContact O-NH1 3.46Å; S272-R274 VanDerWaalsContact C-N 3.32Å; S272-R274 PolarHBondContact O-N 3.4Å; R274-V284 HydrophobicContact CB-CG2 3.84Å
275N67.8Low73.5Confident97 Ų9758.6 Ų58.652%0.51934%0.343SS..G310 helixtrans-100.8-1.2-176.6-70-12000113.8Q273 A277 V627Q273-N275 PolarHBondContact O-N 3.39Å; N275-A277 PolarHBondContact O-N 3.21Å; N275-V627 PolarHBondContact ND2-O 2.97Å
276K63.7Low73.4Confident124 Ų12459.1 Ų59.154%0.53935%0.346SS..  trans-76.2114.9-178.9-68-176.4-1771760109.7Q273 N278 S279Q273-K276 HydrophobicContact CB-CD 4.18Å; Q273-K276 HydrophobicContact CG-CD 4.25Å; Q273-K276 PolarHBondContact O-N 2.88Å; K276-N278 PolarHBondContact O-N 3.18Å; K276-S279 PolarHBondContact O-N 2.97Å
277A49.1Very low73.4Confident103 Ų10359 Ų5985%0.85135%0.346SS*.THydrogen-bonded Turntrans-60.3-11.3-175.700000115.5N275N275-A277 PolarHBondContact O-N 3.21Å
278N47.4Very low73.2Confident157 Ų15762 Ų6284%0.8436%0.357SS*.THydrogen-bonded Turntrans-97.19.1-174.2-72.1-4.4000114.7K276 S280K276-N278 PolarHBondContact O-N 3.18Å; N278-S280 PolarHBondContact O-N 3.33Å
279S44.8Very low73.1Confident58 Ų5862 Ų6241%0.40636%0.357SS..  trans-93.186.1178.8-63.50000110.7K276 S281K276-S279 PolarHBondContact O-N 2.97Å; S279-S281 WeakPolarHBondContact CB-O 3.13Å; S279-S281 PolarHBondContact O-N 3.37Å
280S45Very low73.1Confident136 Ų13661.7 Ų61.795%0.95136%0.355SS*.SBendtrans-59.5-3166.950.40000114N278N278-S280 PolarHBondContact O-N 3.33Å
281S53.5Low73Confident86 Ų8661.4 Ų61.460%0.60136%0.356SS*.SBendtrans-124119.7170.3178.10000108.4S279 C283S279-S281 WeakPolarHBondContact CB-O 3.13Å; S279-S281 PolarHBondContact O-N 3.37Å; S281-C283 VanDerWaalsContact C-N 3.26Å; S281-C283 PolarHBondContact O-N 3.34Å
282D64.5Low72.9Confident72 Ų7262.8 Ų62.839%0.38537%0.366SS..  trans-71.680.4179.4-171.710.7000111.3V284 N285 R288D282-V284 PolarHBondContact O-N 3.21Å; D282-N285 HydrophobicContact CB-CB 4.08Å; D282-N285 PolarHBondContact O-N 3.43Å; D282-N285 VanDerWaalsContact OD2-CA 3.28Å; D282-N285 WeakPolarHBondContact OD2-CA 3.28Å; D282-N285 VanDerWaalsContact OD2-CB 3.22Å; D282-N285 WeakPolarHBondContact OD2-CB 3.47Å; D282-R288 IonicContact OD1-CZ 2.81Å; D282-R288 IonicContact OD1-NH1 3.9Å; D282-R288 PolarHBondContact OD1-NH1 3.04Å; D282-R288 IonicContact OD1-NH2 2.77Å; D282-R288 PolarHBondContact OD1-NH2 3.16Å; D282-R288 IonicContact OD2-CZ 2.75Å; D282-R288 IonicContact OD2-NH1 3.5Å; D282-R288 PolarHBondContact OD2-NH1 2.78Å
283C71.5Confident73.1Confident38 Ų3860.8 Ų60.826%0.25735%0.349SS..THydrogen-bonded Turntrans-60.7-10.3-172.363.70000115.3Q265 S281Q265-C283 WeakPolarHBondContact CG-O 3.28Å; S281-C283 VanDerWaalsContact C-N 3.26Å; S281-C283 PolarHBondContact O-N 3.34Å
284V82.7Confident73.4Confident0 Ų060.1 Ų60.10%035%0.345CS..THydrogen-bonded Turntrans-134.428.4-178.6-65.80000112.6Q265 F270 W271 R274 D282 T286 V287 R288Q265-V284 HydrophobicContact CB-CG1 4.34Å; F270-V284 HydrophobicContact CB-CG1 3.67Å; W271-V284 HydrophobicContact CE3-CB 4.49Å; R274-V284 HydrophobicContact CB-CG2 3.84Å; D282-V284 PolarHBondContact O-N 3.21Å; V284-T286 VanDerWaalsContact C-N 3.32Å; V284-T286 PolarHBondContact O-N 2.97Å; V284-V287 PolarHBondContact O-N 3.14Å; V284-R288 WeakPolarHBondContact O-CB 3.33Å; V284-R288 PolarHBondContact O-N 3.46Å
285N84.6Confident73.6Confident49 Ų4960 Ų6026%0.26235%0.349SS..Hα-helixtrans-50.2-44.5-176.460.5-14.1000114.3Q265 D282 A289Q265-N285 PolarHBondContact NE2-OD1 3Å; Q265-N285 PolarHBondContact OE1-OD1 2.99Å; D282-N285 HydrophobicContact CB-CB 4.08Å; D282-N285 PolarHBondContact O-N 3.43Å; D282-N285 VanDerWaalsContact OD2-CA 3.28Å; D282-N285 WeakPolarHBondContact OD2-CA 3.28Å; D282-N285 VanDerWaalsContact OD2-CB 3.22Å; D282-N285 WeakPolarHBondContact OD2-CB 3.47Å; N285-A289 WeakPolarHBondContact O-CB 3.35Å; N285-A289 PolarHBondContact O-N 2.67Å
286T91.5Very high74.3Confident17 Ų1755.9 Ų55.910%0.10433%0.329CS..Hα-helixtrans-75.3-35.9-176.368.90000113I262 Q265 V284 T290I262-T286 HydrophobicContact CB-CG2 4.39Å; I262-T286 HydrophobicContact CD1-CG2 3.85Å; I262-T286 HydrophobicContact CG1-CG2 3.87Å; I262-T286 PolarHBondContact N-OG1 3.41Å; Q265-T286 PolarHBondContact OE1-OG1 3.09Å; V284-T286 VanDerWaalsContact C-N 3.32Å; V284-T286 PolarHBondContact O-N 2.97Å; T286-T290 PolarHBondContact O-N 2.91Å; T286-T290 PolarHBondContact O-OG1 3.01Å
287V91.3Very high75.2Confident0 Ų050.4 Ų50.40%031%0.305CS..Hα-helixtrans-67-45.6174.2-176.10000109.5L261 Q265 W271 V284 A289 T290 V291 L460 L464L261-V287 HydrophobicContact CD1-CB 4.34Å; L261-V287 HydrophobicContact CD1-CG2 3.85Å; Q265-V287 HydrophobicContact CB-CG2 3.49Å; Q265-V287 VanDerWaalsContact CB-CG2 3.49Å; W271-V287 HydrophobicContact CD2-CG1 4.18Å; W271-V287 HydrophobicContact CE3-CB 4.15Å; W271-V287 HydrophobicContact CE3-CG1 3.46Å; W271-V287 VanDerWaalsContact CE3-CG1 3.46Å; W271-V287 HydrophobicContact CH2-CG1 4.17Å; W271-V287 HydrophobicContact CZ3-CB 4.1Å; W271-V287 HydrophobicContact CZ3-CG1 3.46Å; W271-V287 VanDerWaalsContact CZ3-CG1 3.46Å; V284-V287 PolarHBondContact O-N 3.14Å; V287-A289 PolarHBondContact O-N 3.26Å; V287-T290 PolarHBondContact O-N 3.5Å; V287-V291 HydrophobicContact CG1-CG2 4.44Å; V287-V291 WeakPolarHBondContact O-CG2 3.05Å; V287-V291 PolarHBondContact O-N 3.32Å; V287-L460 HydrophobicContact CG1-CD2 4.05Å; V287-L464 HydrophobicContact CG1-CD1 4.29Å; V287-L464 HydrophobicContact CG1-CD2 4.2Å
288R89.6Confident76.6Confident62 Ų6246.8 Ų46.823%0.23428%0.276CS..Hα-helixtrans-61.5-44.8177.7-164.2-174.6-60.189.7-3.6110.9D282 V284 T290 V291 D292D282-R288 IonicContact OD1-CZ 2.81Å; D282-R288 IonicContact OD1-NH1 3.9Å; D282-R288 PolarHBondContact OD1-NH1 3.04Å; D282-R288 IonicContact OD1-NH2 2.77Å; D282-R288 PolarHBondContact OD1-NH2 3.16Å; D282-R288 IonicContact OD2-CZ 2.75Å; D282-R288 IonicContact OD2-NH1 3.5Å; D282-R288 PolarHBondContact OD2-NH1 2.78Å; V284-R288 WeakPolarHBondContact O-CB 3.33Å; V284-R288 PolarHBondContact O-N 3.46Å; R288-T290 VanDerWaalsContact C-N 3.28Å; R288-T290 PolarHBondContact O-N 2.93Å; R288-V291 PolarHBondContact O-N 3.48Å; R288-V291 VanDerWaalsContact O-N 3.14Å; R288-D292 WeakPolarHBondContact CG-OD2 3.45Å; R288-D292 VanDerWaalsContact O-CB 3.29Å; R288-D292 WeakPolarHBondContact O-CB 3.34Å; R288-D292 VanDerWaalsContact O-CG 3.27Å; R288-D292 PolarHBondContact O-N 3.11Å
289A88.7Confident77.9Confident8 Ų843.7 Ų43.77%0.06625%0.253CS..Hα-helixtrans-57-42.4177.400000112.7I214 L257 N285 V287 Q293I214-A289 HydrophobicContact CD1-CB 4.27Å; L257-A289 HydrophobicContact CD2-CB 4.04Å; N285-A289 WeakPolarHBondContact O-CB 3.35Å; N285-A289 PolarHBondContact O-N 2.67Å; V287-A289 PolarHBondContact O-N 3.26Å; A289-Q293 WeakPolarHBondContact O-CB 3.45Å; A289-Q293 PolarHBondContact O-N 3.06Å; A289-Q293 VanDerWaalsContact O-N 3.08Å
290T87.6Confident79.7Confident19 Ų1942.3 Ų42.312%0.11724%0.238CC..Hα-helixtrans-66-42.6176.9-53.10000112.1T286 V287 R288 F294 L460T286-T290 PolarHBondContact O-N 2.91Å; T286-T290 PolarHBondContact O-OG1 3.01Å; V287-T290 PolarHBondContact O-N 3.5Å; R288-T290 VanDerWaalsContact C-N 3.28Å; R288-T290 PolarHBondContact O-N 2.93Å; T290-F294 PolarHBondContact O-N 3.46Å; T290-L460 HydrophobicContact CG2-CD2 3.91Å
291V85.4Confident81.3Confident30 Ų3036 Ų3618%0.18219%0.194CC..Hα-helixtrans-70.6-38.7179.1170.90000111.8W271 V287 R288 F294 N295 L464W271-V291 HydrophobicContact CH2-CB 4.14Å; W271-V291 HydrophobicContact CH2-CG1 4.17Å; W271-V291 HydrophobicContact CH2-CG2 3.79Å; W271-V291 HydrophobicContact CZ2-CG2 4.2Å; V287-V291 HydrophobicContact CG1-CG2 4.44Å; V287-V291 WeakPolarHBondContact O-CG2 3.05Å; V287-V291 PolarHBondContact O-N 3.32Å; R288-V291 PolarHBondContact O-N 3.48Å; R288-V291 VanDerWaalsContact O-N 3.14Å; V291-F294 WeakPolarHBondContact O-CB 3.32Å; V291-F294 PolarHBondContact O-N 3.01Å; V291-N295 WeakPolarHBondContact CG1-ND2 3.49Å; V291-N295 WeakPolarHBondContact O-CB 3.41Å; V291-N295 PolarHBondContact O-N 3.39Å; V291-N295 PolarHBondContact O-ND2 2.88Å; V291-L464 HydrophobicContact CG2-CD1 4.36Å
292D85.9Confident82.3Confident60 Ų6032.7 Ų32.732%0.32117%0.17SC..Hα-helixtrans-68.2-40.4179.5-75.2-11000111.5I214 R288 N295 A296I214-D292 HydrophobicContact CD1-CB 3.66Å; R288-D292 WeakPolarHBondContact CG-OD2 3.45Å; R288-D292 VanDerWaalsContact O-CB 3.29Å; R288-D292 WeakPolarHBondContact O-CB 3.34Å; R288-D292 VanDerWaalsContact O-CG 3.27Å; R288-D292 PolarHBondContact O-N 3.11Å; D292-N295 PolarHBondContact O-N 3.12Å; D292-A296 WeakPolarHBondContact O-CB 3.1Å; D292-A296 PolarHBondContact O-N 2.91Å
293Q86.9Confident82.9Confident26 Ų2629.2 Ų29.212%0.12115%0.152CC..Hα-helixtrans-60.7-46.4171.8172.460.911.800111.4T253 D254 L257 A289 N295 A296 V297T253-Q293 HydrophobicContact CG2-CG 4.2Å; D254-Q293 WeakPolarHBondContact OD1-CG 3.31Å; L257-Q293 HydrophobicContact CD1-CB 3.33Å; L257-Q293 HydrophobicContact CD1-CG 3.59Å; A289-Q293 WeakPolarHBondContact O-CB 3.45Å; A289-Q293 PolarHBondContact O-N 3.06Å; A289-Q293 VanDerWaalsContact O-N 3.08Å; Q293-N295 VanDerWaalsContact C-N 3.32Å; Q293-N295 PolarHBondContact O-N 2.6Å; Q293-A296 WeakPolarHBondContact O-CB 3.45Å; Q293-A296 PolarHBondContact O-N 3.15Å; Q293-V297 WeakPolarHBondContact O-CG2 3.24Å; Q293-V297 PolarHBondContact O-N 3.01Å
294F83.4Confident83.2Confident58 Ų5827.9 Ų27.925%0.25414%0.143SC..Hα-helixtrans-56.9-47.3175.2174-89.9000111.6T290 V291 A296 V297 A298 G379 Y459T290-F294 PolarHBondContact O-N 3.46Å; V291-F294 WeakPolarHBondContact O-CB 3.32Å; V291-F294 PolarHBondContact O-N 3.01Å; F294-A296 VanDerWaalsContact C-N 3.34Å; F294-A296 PolarHBondContact O-N 3.43Å; F294-V297 PolarHBondContact O-N 3.24Å; F294-A298 PolarHBondContact O-N 2.94Å; F294-G379 WeakPolarHBondContact CE2-O 3.32Å; F294-G379 WeakPolarHBondContact CZ-O 3.34Å; F294-Y459 HydrophobicContact CD1-CE2 4.43Å; F294-Y459 HydrophobicContact CD2-CD2 4.23Å; F294-Y459 HydrophobicContact CD2-CE2 4.13Å; F294-Y459 AromaticContact CE1-CE2 3.95Å; F294-Y459 HydrophobicContact CE1-CE2 3.95Å; F294-Y459 AromaticContact CE2-CD2 3.76Å; F294-Y459 HydrophobicContact CE2-CD2 3.76Å; F294-Y459 AromaticContact CE2-CE2 3.58Å; F294-Y459 HydrophobicContact CE2-CE2 3.58Å; F294-Y459 HydrophobicContact CZ-CD2 4.13Å; F294-Y459 AromaticContact CZ-CE2 3.48Å; F294-Y459 HydrophobicContact CZ-CE2 3.48Å; F294-Y459 VanDerWaalsContact CZ-CE2 3.48Å
295N81.6Confident82.8Confident59 Ų5928.2 Ų28.232%0.31615%0.145SC..Hα-helixtrans-65.9-36.8178.3-69.1-29.3000111.8V291 D292 Q293 A298 R299V291-N295 WeakPolarHBondContact CG1-ND2 3.49Å; V291-N295 WeakPolarHBondContact O-CB 3.41Å; V291-N295 PolarHBondContact O-N 3.39Å; V291-N295 PolarHBondContact O-ND2 2.88Å; D292-N295 PolarHBondContact O-N 3.12Å; Q293-N295 VanDerWaalsContact C-N 3.32Å; Q293-N295 PolarHBondContact O-N 2.6Å; N295-A298 PolarHBondContact O-N 3.49Å; N295-R299 WeakPolarHBondContact O-CB 3.28Å; N295-R299 WeakPolarHBondContact O-CG 3.48Å; N295-R299 PolarHBondContact O-N 3.17Å
296A82.2Confident82.3Confident12 Ų1225.9 Ų25.910%0.09913%0.132CC..Hα-helixtrans-64.1-42.3177.200000111.9D292 Q293 F294 R300D292-A296 WeakPolarHBondContact O-CB 3.1Å; D292-A296 PolarHBondContact O-N 2.91Å; Q293-A296 WeakPolarHBondContact O-CB 3.45Å; Q293-A296 PolarHBondContact O-N 3.15Å; F294-A296 VanDerWaalsContact C-N 3.34Å; F294-A296 PolarHBondContact O-N 3.43Å; A296-R300 WeakPolarHBondContact O-CB 3.31Å; A296-R300 WeakPolarHBondContact O-CD 3.43Å; A296-R300 VanDerWaalsContact O-CG 3.28Å; A296-R300 WeakPolarHBondContact O-CG 3.33Å; A296-R300 PolarHBondContact O-N 3Å; A296-R300 PolarHBondContact O-NH1 3.04Å
297V82.1Confident81.3Confident8 Ų827.9 Ų27.95%0.04814%0.138CC..Hα-helixtrans-61.4-50.2172175.60000109.9L250 Q293 F294 R299 R300 V301 F520L250-V297 HydrophobicContact CD1-CG1 4.5Å; L250-V297 HydrophobicContact CD2-CG2 4.04Å; Q293-V297 WeakPolarHBondContact O-CG2 3.24Å; Q293-V297 PolarHBondContact O-N 3.01Å; F294-V297 PolarHBondContact O-N 3.24Å; V297-R299 PolarHBondContact O-N 2.75Å; V297-R300 PolarHBondContact O-N 3.22Å; V297-V301 HydrophobicContact CG1-CG2 4.38Å; V297-V301 VanDerWaalsContact O-CG2 3.23Å; V297-V301 WeakPolarHBondContact O-CG2 3.5Å; V297-V301 PolarHBondContact O-N 2.86Å; V297-F520 HydrophobicContact CB-CZ 4.34Å; V297-F520 HydrophobicContact CG2-CE2 4.13Å; V297-F520 HydrophobicContact CG2-CZ 3.6Å
298A78Confident80.2Confident28 Ų2830.2 Ų30.223%0.23115%0.151CC..Hα-helixtrans-59.5-46.3-179.100000112.6F294 N295 V301 V302F294-A298 PolarHBondContact O-N 2.94Å; N295-A298 PolarHBondContact O-N 3.49Å; A298-V301 PolarHBondContact O-N 3.05Å; A298-V302 WeakPolarHBondContact O-CG2 3.37Å; A298-V302 PolarHBondContact O-N 3.32Å; A298-V302 VanDerWaalsContact O-N 3.13Å
299R75.7Confident78.9Confident92 Ų9228.2 Ų28.235%0.34715%0.145SC..Hα-helixtrans-65.3-41178.3-71.1-169.7-49.4-90.7-4.4112.2N295 V297 V302 S303 D525N295-R299 WeakPolarHBondContact O-CB 3.28Å; N295-R299 WeakPolarHBondContact O-CG 3.48Å; N295-R299 PolarHBondContact O-N 3.17Å; V297-R299 PolarHBondContact O-N 2.75Å; R299-V302 PolarHBondContact O-N 3.42Å; R299-S303 WeakPolarHBondContact O-CB 3.42Å; R299-S303 PolarHBondContact O-N 3.23Å; R299-S303 PolarHBondContact O-OG 3Å; R299-D525 VanDerWaalsContact CB-OD1 3.23Å; R299-D525 WeakPolarHBondContact CB-OD1 3.19Å; R299-D525 WeakPolarHBondContact CD-OD1 3.13Å; R299-D525 IonicContact CZ-OD1 2.68Å; R299-D525 IonicContact CZ-OD2 3.4Å; R299-D525 IonicContact NE-OD1 3.82Å; R299-D525 PolarHBondContact NE-OD1 3.29Å; R299-D525 IonicContact NE-OD2 3.59Å; R299-D525 IonicContact NH2-OD1 2.99Å; R299-D525 IonicContact NH2-OD2 2.81Å; R299-D525 PolarHBondContact NH2-OD2 2.73Å
300R82.2Confident77.6Confident28 Ų2834 Ų3411%0.10617%0.17CC..Hα-helixtrans-65.8-37.6177.3-77167.5171.966.68112.6A296 V297 S304 F520 L523 D525A296-R300 WeakPolarHBondContact O-CB 3.31Å; A296-R300 WeakPolarHBondContact O-CD 3.43Å; A296-R300 VanDerWaalsContact O-CG 3.28Å; A296-R300 WeakPolarHBondContact O-CG 3.33Å; A296-R300 PolarHBondContact O-N 3Å; A296-R300 PolarHBondContact O-NH1 3.04Å; V297-R300 PolarHBondContact O-N 3.22Å; R300-S304 VanDerWaalsContact O-CB 3.25Å; R300-S304 WeakPolarHBondContact O-CB 3.38Å; R300-S304 PolarHBondContact O-N 3.07Å; R300-S304 PolarHBondContact O-OG 3.47Å; R300-F520 HydrophobicContact CB-CE2 4.5Å; R300-F520 VanDerWaalsContact CD-CZ 3.44Å; R300-F520 WeakPolarHBondContact CD-O 3.39Å; R300-F520 PolarHBondContact NE-O 3.18Å; R300-L523 HydrophobicContact CB-CB 4.24Å; R300-L523 HydrophobicContact CB-CD1 4.25Å; R300-L523 HydrophobicContact CG-CB 3.92Å; R300-D525 IonicContact CZ-OD2 3.74Å; R300-D525 IonicContact NH1-OD2 3.87Å; R300-D525 PolarHBondContact NH1-OD2 3.4Å; R300-D525 IonicContact NH2-OD2 2.91Å
301V79.3Confident76.7Confident5 Ų537.3 Ų37.33%0.0318%0.184CC..Hα-helixtrans-59.1-53.6172.7172.20000110V297 A298 S304 V305 W323 V382V297-V301 HydrophobicContact CG1-CG2 4.38Å; V297-V301 VanDerWaalsContact O-CG2 3.23Å; V297-V301 WeakPolarHBondContact O-CG2 3.5Å; V297-V301 PolarHBondContact O-N 2.86Å; A298-V301 PolarHBondContact O-N 3.05Å; V301-S304 PolarHBondContact O-N 3.38Å; V301-S304 PolarHBondContact O-OG 3.26Å; V301-V305 WeakPolarHBondContact O-CG2 3.14Å; V301-V305 PolarHBondContact O-N 3.25Å; V301-W323 HydrophobicContact CB-CD2 4.4Å; V301-W323 HydrophobicContact CG1-CB 4.39Å; V301-W323 HydrophobicContact CG1-CD2 4.25Å; V301-W323 HydrophobicContact CG1-CG 3.96Å; V301-W323 HydrophobicContact CG2-CD2 3.68Å; V301-W323 HydrophobicContact CG2-CE3 3.76Å; V301-W323 HydrophobicContact CG2-CG 4.26Å; V301-W323 HydrophobicContact CG2-CH2 4.02Å; V301-W323 HydrophobicContact CG2-CZ2 3.93Å; V301-W323 HydrophobicContact CG2-CZ3 3.93Å; V301-V382 HydrophobicContact CG1-CG2 4.2Å
302V73.7Confident76.1Confident15 Ų1543.9 Ų43.99%0.09121%0.21CC..Hα-helixtrans-61.8-48.3179.8176.90000111.3A298 R299 S304 V305 V306 F386 C531A298-V302 WeakPolarHBondContact O-CG2 3.37Å; A298-V302 PolarHBondContact O-N 3.32Å; A298-V302 VanDerWaalsContact O-N 3.13Å; R299-V302 PolarHBondContact O-N 3.42Å; V302-S304 VanDerWaalsContact C-N 3.34Å; V302-S304 PolarHBondContact O-N 2.78Å; V302-V305 WeakPolarHBondContact O-CB 3.49Å; V302-V305 PolarHBondContact O-N 3.16Å; V302-V305 VanDerWaalsContact O-N 3.1Å; V302-V306 PolarHBondContact O-N 3.02Å; V302-F386 HydrophobicContact CG1-CD2 4.41Å; V302-C531 HydrophobicContact CG1-CB 3.93Å
303S77.9Confident75.5Confident0 Ų042.4 Ų42.40%021%0.205CC..Hα-helixtrans-59.4-43-179.2-59.90000111.7R299 V305 V306 Y307 P524 L526R299-S303 WeakPolarHBondContact O-CB 3.42Å; R299-S303 PolarHBondContact O-N 3.23Å; R299-S303 PolarHBondContact O-OG 3Å; S303-V305 PolarHBondContact O-N 3.4Å; S303-V306 PolarHBondContact O-N 3.46Å; S303-Y307 WeakPolarHBondContact O-CB 3.28Å; S303-Y307 PolarHBondContact O-N 3.13Å; S303-P524 WeakPolarHBondContact CB-O 3.17Å; S303-P524 PolarHBondContact OG-O 2.98Å; S303-L526 WeakPolarHBondContact OG-CB 3.39Å; S303-L526 PolarHBondContact OG-N 3.24Å
304S77.1Confident74.9Confident10 Ų1046.3 Ų46.37%0.0722%0.219CC..Hα-helixtrans-60.8-28.3178.170.20000113.4R300 V301 V302 I319 W323R300-S304 VanDerWaalsContact O-CB 3.25Å; R300-S304 WeakPolarHBondContact O-CB 3.38Å; R300-S304 PolarHBondContact O-N 3.07Å; R300-S304 PolarHBondContact O-OG 3.47Å; V301-S304 PolarHBondContact O-N 3.38Å; V301-S304 PolarHBondContact O-OG 3.26Å; V302-S304 VanDerWaalsContact C-N 3.34Å; V302-S304 PolarHBondContact O-N 2.78Å; S304-I319 WeakPolarHBondContact O-CD1 3.28Å; S304-W323 PolarHBondContact OG-NE1 3.07Å
305V75.1Confident74.6Confident6 Ų646.6 Ų46.64%0.03622%0.219CC..Hα-helixtrans-79-39.4177.8177.90000111.6V301 V302 S303 R316 I319 V320 F390V301-V305 WeakPolarHBondContact O-CG2 3.14Å; V301-V305 PolarHBondContact O-N 3.25Å; V302-V305 WeakPolarHBondContact O-CB 3.49Å; V302-V305 PolarHBondContact O-N 3.16Å; V302-V305 VanDerWaalsContact O-N 3.1Å; S303-V305 PolarHBondContact O-N 3.4Å; V305-R316 WeakPolarHBondContact O-CD 3.29Å; V305-I319 HydrophobicContact CG2-CG2 3.79Å; V305-V320 HydrophobicContact CG1-CG2 4Å; V305-V320 HydrophobicContact CG2-CG2 3.81Å; V305-F390 HydrophobicContact CG1-CD2 4.42Å; V305-F390 HydrophobicContact CG1-CE2 4.15Å
306V72.8Confident74.2Confident1 Ų144.2 Ų44.21%0.00621%0.205CC..Hα-helixtrans-92.7-21.7-174.5-56.70000114.3V302 S303 N308 I309 F390 L526 C531 L534 I538V302-V306 PolarHBondContact O-N 3.02Å; S303-V306 PolarHBondContact O-N 3.46Å; V306-N308 VanDerWaalsContact C-N 3.29Å; V306-N308 PolarHBondContact O-N 3.04Å; V306-I309 WeakPolarHBondContact O-CG1 3.36Å; V306-F390 HydrophobicContact CG1-CE2 3.92Å; V306-F390 HydrophobicContact CG1-CZ 3.92Å; V306-L526 HydrophobicContact CG2-CD1 3.89Å; V306-C531 HydrophobicContact CG2-CB 4.4Å; V306-L534 HydrophobicContact CB-CB 4.18Å; V306-L534 HydrophobicContact CG2-CB 4.45Å; V306-L534 HydrophobicContact CG2-CD1 4.21Å; V306-I538 HydrophobicContact CB-CD1 4.46Å
307Y71.1Confident73.7Confident59 Ų5943.8 Ų43.823%0.23120%0.202CC..SBendtrans-65.7-32.7-175.3-176.7-100.2000112.5S303 I309 P524 L526 L589 R593S303-Y307 WeakPolarHBondContact O-CB 3.28Å; S303-Y307 PolarHBondContact O-N 3.13Å; Y307-I309 VanDerWaalsContact C-N 3.27Å; Y307-I309 PolarHBondContact O-N 3.34Å; Y307-P524 HydrophobicContact CD1-CG 3.72Å; Y307-P524 HydrophobicContact CD2-CB 3.81Å; Y307-P524 HydrophobicContact CD2-CG 3.78Å; Y307-P524 HydrophobicContact CE1-CG 4.09Å; Y307-P524 HydrophobicContact CE2-CB 4.34Å; Y307-P524 HydrophobicContact CE2-CG 4.17Å; Y307-P524 HydrophobicContact CG-CB 3.98Å; Y307-P524 HydrophobicContact CG-CG 3.55Å; Y307-L526 HydrophobicContact CD2-CD1 4.42Å; Y307-L589 HydrophobicContact CD2-CD2 3.74Å; Y307-L589 HydrophobicContact CE2-CD2 3.61Å; Y307-R593 PolarHBondContact OH-NE 3.06Å; Y307-R593 PolarHBondContact OH-NH2 3.19Å
308N68.2Low73.5Confident48 Ų4846.9 Ų46.926%0.25722%0.215SC..  trans-87.461.9179.7-65.1-41.4000111.4V306 H310 E311 Y315V306-N308 VanDerWaalsContact C-N 3.29Å; V306-N308 PolarHBondContact O-N 3.04Å; N308-H310 VanDerWaalsContact C-N 3.28Å; N308-H310 PolarHBondContact O-N 3.27Å; N308-E311 HydrophobicContact CB-CB 4.08Å; N308-E311 HydrophobicContact CB-CG 3.81Å; N308-E311 WeakPolarHBondContact O-CB 3.33Å; N308-E311 PolarHBondContact O-N 3.15Å; N308-Y315 HydrophobicContact CB-CE1 4.37Å
309I61.9Low73.4Confident21 Ų2145.8 Ų45.811%0.10821%0.205CC..THydrogen-bonded Turntrans-57.4-40.7-174.4-57.8176.2000112.2V306 Y307 E311 L534 I538 C585 L589V306-I309 WeakPolarHBondContact O-CG1 3.36Å; Y307-I309 VanDerWaalsContact C-N 3.27Å; Y307-I309 PolarHBondContact O-N 3.34Å; I309-E311 PolarHBondContact O-N 2.88Å; I309-L534 HydrophobicContact CD1-CD1 4.23Å; I309-L534 HydrophobicContact CD1-CD2 3.39Å; I309-L534 HydrophobicContact CD1-CG 4.24Å; I309-L534 HydrophobicContact CG1-CD2 4.37Å; I309-I538 HydrophobicContact CB-CG1 4.39Å; I309-I538 HydrophobicContact CG1-CD1 4.31Å; I309-I538 HydrophobicContact CG1-CG1 4.45Å; I309-I538 HydrophobicContact CG2-CG1 3.95Å; I309-C585 HydrophobicContact CD1-CB 3.71Å; I309-C585 HydrophobicContact CG2-CB 4.07Å; I309-L589 HydrophobicContact CD1-CD1 3.34Å; I309-L589 HydrophobicContact CD1-CG 3.86Å; I309-L589 HydrophobicContact CG1-CD1 4.03Å
310H62.1Low73.3Confident128 Ų12842 Ų4259%0.59319%0.192SC*.THydrogen-bonded Turntrans-77.8-9.7-175.3-60.3-57.7000113.4N308 N586N308-H310 VanDerWaalsContact C-N 3.28Å; N308-H310 PolarHBondContact O-N 3.27Å; H310-N586 PolarHBondContact CE1-OD1 2.67Å; H310-N586 PolarHBondContact NE2-OD1 2.74Å
311E69.5Low72.9Confident89 Ų8941.5 Ų41.542%0.41619%0.193SC..SBendtrans-78.8149.7-179.4-73-65.4166.500111.9N308 I309 Y315 R316N308-E311 HydrophobicContact CB-CB 4.08Å; N308-E311 HydrophobicContact CB-CG 3.81Å; N308-E311 WeakPolarHBondContact O-CB 3.33Å; N308-E311 PolarHBondContact O-N 3.15Å; I309-E311 PolarHBondContact O-N 2.88Å; E311-Y315 HydrophobicContact CB-CD1 3.61Å; E311-Y315 HydrophobicContact CB-CE1 4.45Å; E311-Y315 HydrophobicContact CB-CG 4.13Å; E311-Y315 HydrophobicContact CG-CD1 3.54Å; E311-Y315 HydrophobicContact CG-CE1 3.94Å; E311-Y315 HydrophobicContact CG-CG 4.16Å; E311-R316 PolarHBondContact O-NH1 2.96Å
312K71Confident72.8Confident169 Ų16941.8 Ų41.874%0.73520%0.196SC*.  trans-66.9154.6178.7-64.7-177.8-178.5178.50110.7Y314 Y315 R316K312-Y314 PolarHBondContact O-N 3.35Å; K312-Y315 PolarHBondContact O-N 2.95Å; K312-R316 PolarHBondContact O-N 3.32Å
313S74.7Confident73.2Confident29 Ų2941.9 Ų41.920%0.20320%0.195CC..Hα-helixtrans-49.1-35.6175.4-52.70000113.1Y315 R316 A317S313-Y315 PolarHBondContact O-N 3.02Å; S313-R316 PolarHBondContact O-N 3.23Å; S313-R316 PolarHBondContact OG-NH2 3.27Å; S313-A317 WeakPolarHBondContact O-CB 3.31Å; S313-A317 PolarHBondContact O-N 2.94Å
314Y74.8Confident73Confident108 Ų10842.6 Ų42.642%0.42420%0.198SC..Hα-helixtrans-59.1-42.5175176.9-101.6000113.8K312 A317 K318K312-Y314 PolarHBondContact O-N 3.35Å; Y314-A317 WeakPolarHBondContact O-CB 3.47Å; Y314-A317 PolarHBondContact O-N 3.15Å; Y314-K318 HydrophobicContact CE1-CD 4.16Å; Y314-K318 VanDerWaalsContact CZ-CE 3.44Å; Y314-K318 PolarHBondContact O-N 3.39Å; Y314-K318 VanDerWaalsContact O-N 3.11Å; Y314-K318 WeakPolarHBondContact OH-CE 3.29Å
315Y75Confident72.8Confident63 Ų6345 Ų4525%0.24721%0.21CC..Hα-helixtrans-69.7-41.6178.7-177.9-99.7000111.3N308 E311 K312 S313 A317 K318 I319N308-Y315 HydrophobicContact CB-CE1 4.37Å; E311-Y315 HydrophobicContact CB-CD1 3.61Å; E311-Y315 HydrophobicContact CB-CE1 4.45Å; E311-Y315 HydrophobicContact CB-CG 4.13Å; E311-Y315 HydrophobicContact CG-CD1 3.54Å; E311-Y315 HydrophobicContact CG-CE1 3.94Å; E311-Y315 HydrophobicContact CG-CG 4.16Å; K312-Y315 PolarHBondContact O-N 2.95Å; S313-Y315 PolarHBondContact O-N 3.02Å; Y315-A317 PolarHBondContact O-N 3.36Å; Y315-K318 WeakPolarHBondContact O-CB 3.43Å; Y315-K318 PolarHBondContact O-N 3.33Å; Y315-I319 HydrophobicContact CD1-CD1 4Å; Y315-I319 HydrophobicContact CE1-CD1 3.58Å; Y315-I319 HydrophobicContact CE1-CG1 4.21Å; Y315-I319 PolarHBondContact O-N 2.86Å; Y315-I319 VanDerWaalsContact O-N 3.12Å
316R74.6Confident72.8Confident9 Ų945 Ų453%0.03421%0.21CC..Hα-helixtrans-58.9-38171.5-67.5-169.7-63.8-87.41.7111.8V305 E311 K312 S313 K318 I319 V320 T393V305-R316 WeakPolarHBondContact O-CD 3.29Å; E311-R316 PolarHBondContact O-NH1 2.96Å; K312-R316 PolarHBondContact O-N 3.32Å; S313-R316 PolarHBondContact O-N 3.23Å; S313-R316 PolarHBondContact OG-NH2 3.27Å; R316-K318 VanDerWaalsContact C-N 3.3Å; R316-K318 PolarHBondContact O-N 3.23Å; R316-I319 PolarHBondContact O-N 3.05Å; R316-V320 WeakPolarHBondContact O-CG2 3.31Å; R316-V320 PolarHBondContact O-N 3.11Å; R316-T393 HydrophobicContact CB-CG2 3.64Å; R316-T393 PolarHBondContact NE-OG1 3.39Å
317A72.4Confident72.6Confident4 Ų445.8 Ų45.83%0.03322%0.217CC..Hα-helixtrans-64.6-3317600000112.3S313 Y314 Y315 S321 T393 E396 I397S313-A317 WeakPolarHBondContact O-CB 3.31Å; S313-A317 PolarHBondContact O-N 2.94Å; Y314-A317 WeakPolarHBondContact O-CB 3.47Å; Y314-A317 PolarHBondContact O-N 3.15Å; Y315-A317 PolarHBondContact O-N 3.36Å; A317-S321 VanDerWaalsContact O-CB 3.26Å; A317-S321 WeakPolarHBondContact O-CB 3.5Å; A317-S321 PolarHBondContact O-N 2.64Å; A317-S321 PolarHBondContact O-OG 2.91Å; A317-T393 HydrophobicContact CB-CG2 4.01Å; A317-E396 HydrophobicContact CB-CB 3.87Å; A317-I397 HydrophobicContact CB-CG1 4.18Å
318K77.4Confident72.4Confident73 Ų7344.3 Ų44.332%0.31721%0.212SC..Hα-helixtrans-64.9-45.6171.1-71.9-175.4170.5179.30112.2T239 Y314 Y315 R316 S321 A322T239-K318 HydrophobicContact CG2-CB 3.92Å; Y314-K318 HydrophobicContact CE1-CD 4.16Å; Y314-K318 VanDerWaalsContact CZ-CE 3.44Å; Y314-K318 PolarHBondContact O-N 3.39Å; Y314-K318 VanDerWaalsContact O-N 3.11Å; Y314-K318 WeakPolarHBondContact OH-CE 3.29Å; Y315-K318 WeakPolarHBondContact O-CB 3.43Å; Y315-K318 PolarHBondContact O-N 3.33Å; R316-K318 VanDerWaalsContact C-N 3.3Å; R316-K318 PolarHBondContact O-N 3.23Å; K318-S321 PolarHBondContact O-N 3.02Å; K318-A322 WeakPolarHBondContact O-CB 3.46Å; K318-A322 PolarHBondContact O-N 3.16Å
319I75.7Confident72.2Confident5 Ų543.7 Ų43.73%0.02621%0.21CC..Hα-helixtrans-58.9-48.9176-66.7178.3000110.6L238 T239 S304 V305 Y315 R316 S321 A322 W323L238-I319 HydrophobicContact CD2-CB 4.42Å; L238-I319 HydrophobicContact CD2-CG2 3.77Å; T239-I319 HydrophobicContact CG2-CG1 4.24Å; S304-I319 WeakPolarHBondContact O-CD1 3.28Å; V305-I319 HydrophobicContact CG2-CG2 3.79Å; Y315-I319 HydrophobicContact CD1-CD1 4Å; Y315-I319 HydrophobicContact CE1-CD1 3.58Å; Y315-I319 HydrophobicContact CE1-CG1 4.21Å; Y315-I319 PolarHBondContact O-N 2.86Å; Y315-I319 VanDerWaalsContact O-N 3.12Å; R316-I319 PolarHBondContact O-N 3.05Å; I319-S321 VanDerWaalsContact C-N 3.31Å; I319-S321 PolarHBondContact O-N 3.22Å; I319-A322 PolarHBondContact O-N 3.25Å; I319-W323 PolarHBondContact O-N 3.5Å; I319-W323 VanDerWaalsContact O-N 3.08Å
320V74Confident72Confident12 Ų1243.1 Ų43.17%0.07321%0.207CC..Hα-helixtrans-60-43.5176.8172.40000110.7V305 R316 A322 W323 I324 I397V305-V320 HydrophobicContact CG1-CG2 4Å; V305-V320 HydrophobicContact CG2-CG2 3.81Å; R316-V320 WeakPolarHBondContact O-CG2 3.31Å; R316-V320 PolarHBondContact O-N 3.11Å; V320-A322 PolarHBondContact O-N 3.32Å; V320-W323 PolarHBondContact O-N 2.94Å; V320-I324 HydrophobicContact CG1-CD1 3.75Å; V320-I324 HydrophobicContact CG1-CG1 4.41Å; V320-I324 VanDerWaalsContact O-CG1 3.22Å; V320-I324 WeakPolarHBondContact O-CG1 3.13Å; V320-I324 PolarHBondContact O-N 3.3Å; V320-I397 HydrophobicContact CG1-CD1 3.88Å
321S73.1Confident71.6Confident17 Ų1738.8 Ų38.812%0.11919%0.189CC..Hα-helixtrans-63.4-39.6177.8-62.60000112.5A317 K318 I319 I324 L325A317-S321 VanDerWaalsContact O-CB 3.26Å; A317-S321 WeakPolarHBondContact O-CB 3.5Å; A317-S321 PolarHBondContact O-N 2.64Å; A317-S321 PolarHBondContact O-OG 2.91Å; K318-S321 PolarHBondContact O-N 3.02Å; I319-S321 VanDerWaalsContact C-N 3.31Å; I319-S321 PolarHBondContact O-N 3.22Å; S321-I324 PolarHBondContact O-N 3.12Å; S321-L325 WeakPolarHBondContact O-CG 3.41Å; S321-L325 PolarHBondContact O-N 3.13Å
322A78.1Confident70.4Confident11 Ų1137.4 Ų37.49%0.09118%0.184CC..Hα-helixtrans-61.6-48.217600000111.2L238 K318 I319 V320 I324 L325 V326L238-A322 HydrophobicContact CD2-CB 4.2Å; L238-A322 HydrophobicContact CG-CB 3.88Å; K318-A322 WeakPolarHBondContact O-CB 3.46Å; K318-A322 PolarHBondContact O-N 3.16Å; I319-A322 PolarHBondContact O-N 3.25Å; V320-A322 PolarHBondContact O-N 3.32Å; A322-I324 VanDerWaalsContact C-N 3.33Å; A322-I324 PolarHBondContact O-N 3.32Å; A322-L325 WeakPolarHBondContact O-CB 3.42Å; A322-L325 PolarHBondContact O-N 3Å; A322-L325 VanDerWaalsContact O-N 3.1Å; A322-V326 WeakPolarHBondContact O-CG2 3.38Å; A322-V326 PolarHBondContact O-N 3.43Å
323W80.3Confident69.3Low18 Ų1833.8 Ų33.87%0.06817%0.166CC..Hα-helixtrans-63.3-36.1175.5-76.2122.3000113.5L238 I246 L250 V301 S304 I319 V320 L325 V326 A327 L523L238-W323 HydrophobicContact CD1-CD2 4.29Å; L238-W323 HydrophobicContact CD1-CH2 4.28Å; L238-W323 HydrophobicContact CD1-CZ2 3.93Å; L238-W323 HydrophobicContact CD2-CD2 4.31Å; L238-W323 HydrophobicContact CD2-CG 4.3Å; L238-W323 HydrophobicContact CD2-CZ2 4.26Å; L238-W323 VanDerWaalsContact CD2-NE1 3.27Å; I246-W323 HydrophobicContact CG2-CZ3 4.27Å; L250-W323 HydrophobicContact CD1-CZ3 4.24Å; V301-W323 HydrophobicContact CB-CD2 4.4Å; V301-W323 HydrophobicContact CG1-CB 4.39Å; V301-W323 HydrophobicContact CG1-CD2 4.25Å; V301-W323 HydrophobicContact CG1-CG 3.96Å; V301-W323 HydrophobicContact CG2-CD2 3.68Å; V301-W323 HydrophobicContact CG2-CE3 3.76Å; V301-W323 HydrophobicContact CG2-CG 4.26Å; V301-W323 HydrophobicContact CG2-CH2 4.02Å; V301-W323 HydrophobicContact CG2-CZ2 3.93Å; V301-W323 HydrophobicContact CG2-CZ3 3.93Å; S304-W323 PolarHBondContact OG-NE1 3.07Å; I319-W323 PolarHBondContact O-N 3.5Å; I319-W323 VanDerWaalsContact O-N 3.08Å; V320-W323 PolarHBondContact O-N 2.94Å; W323-L325 VanDerWaalsContact C-N 3.32Å; W323-V326 HydrophobicContact CE3-CB 4.3Å; W323-V326 HydrophobicContact CE3-CG1 4.35Å; W323-V326 HydrophobicContact CE3-CG2 4.39Å; W323-V326 HydrophobicContact CZ3-CG1 4.43Å; W323-V326 PolarHBondContact O-N 3.02Å; W323-A327 WeakPolarHBondContact O-CB 3.43Å; W323-A327 PolarHBondContact O-N 2.64Å; W323-L523 HydrophobicContact CZ2-CD1 4.38Å
324I74.2Confident67.7Low15 Ų1533.9 Ų33.98%0.07716%0.164CC..Hα-helixtrans-62.5-40.8172.9-70.1167.2000110.6V320 S321 A322 A327 Q328 A402 L405 F406V320-I324 HydrophobicContact CG1-CD1 3.75Å; V320-I324 HydrophobicContact CG1-CG1 4.41Å; V320-I324 VanDerWaalsContact O-CG1 3.22Å; V320-I324 WeakPolarHBondContact O-CG1 3.13Å; V320-I324 PolarHBondContact O-N 3.3Å; S321-I324 PolarHBondContact O-N 3.12Å; A322-I324 VanDerWaalsContact C-N 3.33Å; A322-I324 PolarHBondContact O-N 3.32Å; I324-A327 PolarHBondContact O-N 3.48Å; I324-Q328 PolarHBondContact O-N 3.47Å; I324-A402 HydrophobicContact CG2-CB 4.18Å; I324-L405 HydrophobicContact CG2-CB 4.46Å; I324-L405 HydrophobicContact CG2-CD2 3.71Å; I324-F406 HydrophobicContact CD1-CB 4.07Å; I324-F406 HydrophobicContact CD1-CD2 4.06Å; I324-F406 HydrophobicContact CD1-CG 4.41Å; I324-F406 HydrophobicContact CG1-CB 4.48Å; I324-F406 HydrophobicContact CG1-CD2 4.17Å
325L73.3Confident65.8Low61 Ų6132.5 Ų32.532%0.31917%0.17SC..Hα-helixtrans-66.5-44.4176.5-72.1171.9000111.8P243 S321 A322 W323 A327 Q328 V329P243-L325 HydrophobicContact CB-CB 3.84Å; P243-L325 HydrophobicContact CG-CB 3.85Å; P243-L325 HydrophobicContact CG-CD1 4.24Å; S321-L325 WeakPolarHBondContact O-CG 3.41Å; S321-L325 PolarHBondContact O-N 3.13Å; A322-L325 WeakPolarHBondContact O-CB 3.42Å; A322-L325 PolarHBondContact O-N 3Å; A322-L325 VanDerWaalsContact O-N 3.1Å; W323-L325 VanDerWaalsContact C-N 3.32Å; L325-A327 VanDerWaalsContact C-N 3.32Å; L325-A327 PolarHBondContact O-N 2.93Å; L325-Q328 WeakPolarHBondContact O-CB 3.43Å; L325-Q328 PolarHBondContact O-N 3.15Å; L325-V329 WeakPolarHBondContact O-CG2 3.28Å; L325-V329 PolarHBondContact O-N 2.95Å
326V74.8Confident64Low4 Ų435.5 Ų35.52%0.02419%0.19CC..Hα-helixtrans-54.3-51.3173.9173.10000109.8P243 I246 A247 L250 A322 W323 Q328 V329 S330P243-V326 HydrophobicContact CB-CG2 3.96Å; I246-V326 HydrophobicContact CB-CG1 4.33Å; I246-V326 HydrophobicContact CB-CG2 3.91Å; I246-V326 HydrophobicContact CD1-CG2 4.08Å; I246-V326 HydrophobicContact CG2-CG1 3.83Å; I246-V326 HydrophobicContact CG2-CG2 3.88Å; A247-V326 HydrophobicContact CB-CG1 4.14Å; L250-V326 HydrophobicContact CD1-CG1 4.4Å; A322-V326 WeakPolarHBondContact O-CG2 3.38Å; A322-V326 PolarHBondContact O-N 3.43Å; W323-V326 HydrophobicContact CE3-CB 4.3Å; W323-V326 HydrophobicContact CE3-CG1 4.35Å; W323-V326 HydrophobicContact CE3-CG2 4.39Å; W323-V326 HydrophobicContact CZ3-CG1 4.43Å; W323-V326 PolarHBondContact O-N 3.02Å; V326-Q328 VanDerWaalsContact C-N 3.29Å; V326-Q328 PolarHBondContact O-N 3.35Å; V326-V329 PolarHBondContact O-N 2.96Å; V326-S330 PolarHBondContact O-N 3.48Å; V326-S330 PolarHBondContact O-OG 3.24Å; V326-S330 VanDerWaalsContact O-OG 3.1Å
327A69.8Low62.3Low19 Ų1940.3 Ų40.316%0.15722%0.215CC..Hα-helixtrans-62.5-32.9177.300000113.2W323 I324 L325 N331W323-A327 WeakPolarHBondContact O-CB 3.43Å; W323-A327 PolarHBondContact O-N 2.64Å; I324-A327 PolarHBondContact O-N 3.48Å; L325-A327 VanDerWaalsContact C-N 3.32Å; L325-A327 PolarHBondContact O-N 2.93Å; A327-N331 PolarHBondContact O-N 3.34Å; A327-N331 PolarHBondContact O-ND2 3.13Å
328Q65.1Low60.4Low28 Ų2848.7 Ų48.713%0.13125%0.247CC..Hα-helixtrans-65.4-47.1175-161-178.5-68.900111.5I324 L325 V326 S330 N331 L332 L405I324-Q328 PolarHBondContact O-N 3.47Å; L325-Q328 WeakPolarHBondContact O-CB 3.43Å; L325-Q328 PolarHBondContact O-N 3.15Å; V326-Q328 VanDerWaalsContact C-N 3.29Å; V326-Q328 PolarHBondContact O-N 3.35Å; Q328-S330 VanDerWaalsContact C-N 3.33Å; Q328-N331 PolarHBondContact O-N 2.92Å; Q328-N331 VanDerWaalsContact O-N 3.11Å; Q328-L332 HydrophobicContact CG-CD1 3.79Å; Q328-L332 HydrophobicContact CG-CG 4.33Å; Q328-L332 VanDerWaalsContact NE2-CD1 3.3Å; Q328-L332 WeakPolarHBondContact O-CG 3.4Å; Q328-L332 PolarHBondContact O-N 3.29Å; Q328-L405 HydrophobicContact CB-CD2 3.37Å; Q328-L405 HydrophobicContact CG-CD1 3.75Å; Q328-L405 HydrophobicContact CG-CD2 3.44Å; Q328-L405 VanDerWaalsContact CG-CD2 3.44Å; Q328-L405 HydrophobicContact CG-CG 4.21Å; Q328-L405 VanDerWaalsContact OE1-CD2 3.31Å
329V64.5Low58.2Low34 Ų3447.7 Ų47.721%0.20626%0.258CS..Hα-helixtrans-68.6-38.4-174.7177.70000110.4P243 L244 A247 L325 V326 N331 L332 R333P243-V329 HydrophobicContact CB-CG2 4.48Å; L244-V329 HydrophobicContact CB-CG1 3.84Å; L244-V329 HydrophobicContact CD1-CG1 3.22Å; L244-V329 HydrophobicContact CG-CG1 4.1Å; A247-V329 HydrophobicContact CB-CB 4.43Å; A247-V329 HydrophobicContact CB-CG1 4.42Å; L325-V329 WeakPolarHBondContact O-CG2 3.28Å; L325-V329 PolarHBondContact O-N 2.95Å; V326-V329 PolarHBondContact O-N 2.96Å; V329-N331 PolarHBondContact O-N 2.84Å; V329-L332 PolarHBondContact O-N 3.45Å; V329-L332 VanDerWaalsContact O-N 3.09Å; V329-R333 PolarHBondContact O-N 3.29Å; V329-R333 VanDerWaalsContact O-N 3.11Å
330S57.8Low56Low9 Ų951.7 Ų51.76%0.06330%0.3CS..Hα-helixtrans-54.8-35.9169.5-600000113.2A247 V326 Q328 F378A247-S330 VanDerWaalsContact CB-OG 3.29Å; A247-S330 WeakPolarHBondContact CB-OG 3.23Å; V326-S330 PolarHBondContact O-N 3.48Å; V326-S330 PolarHBondContact O-OG 3.24Å; V326-S330 VanDerWaalsContact O-OG 3.1Å; Q328-S330 VanDerWaalsContact C-N 3.33Å; S330-F378 VanDerWaalsContact CB-CD2 3.48Å; S330-F378 WeakPolarHBondContact OG-CD2 3.47Å
331N52.8Low53.9Low37 Ų3758.9 Ų58.920%0.19833%0.331CS..Hα-helixtrans-82.4-25.2176.9-76.2-62.6000113.9A327 Q328 V329A327-N331 PolarHBondContact O-N 3.34Å; A327-N331 PolarHBondContact O-ND2 3.13Å; Q328-N331 PolarHBondContact O-N 2.92Å; Q328-N331 VanDerWaalsContact O-N 3.11Å; V329-N331 PolarHBondContact O-N 2.84Å
332L45.8Very low51.8Low61 Ų6168.2 Ų68.232%0.31937%0.369SS..Hα-helixtrans-89.9-22.2-174.2-79.4173.9000114.1Q328 V329 D334 S335 L336Q328-L332 HydrophobicContact CG-CD1 3.79Å; Q328-L332 HydrophobicContact CG-CG 4.33Å; Q328-L332 VanDerWaalsContact NE2-CD1 3.3Å; Q328-L332 WeakPolarHBondContact O-CG 3.4Å; Q328-L332 PolarHBondContact O-N 3.29Å; V329-L332 PolarHBondContact O-N 3.45Å; V329-L332 VanDerWaalsContact O-N 3.09Å; L332-D334 PolarHBondContact O-N 2.99Å; L332-S335 PolarHBondContact O-N 3.41Å; L332-L336 HydrophobicContact CB-CD1 4.08Å; L332-L336 PolarHBondContact O-N 3.01Å
333R46.9Very low49.4Very low93 Ų9377.8 Ų77.835%0.35140%0.403SS..THydrogen-bonded Turntrans-57.4-28.6173.6-115.1179.4167.5-144.9-5.7112E248 V329 S335 Q454E248-R333 VanDerWaalsContact CG-CZ 3.46Å; E248-R333 IonicContact OE1-CZ 3.8Å; E248-R333 IonicContact OE1-NE 3.62Å; E248-R333 PolarHBondContact OE1-NE 3.47Å; E248-R333 IonicContact OE1-NH1 2.74Å; E248-R333 IonicContact OE1-NH2 3.57Å; E248-R333 PolarHBondContact OE1-NH2 2.81Å; E248-R333 IonicContact OE2-NH2 3.9Å; V329-R333 PolarHBondContact O-N 3.29Å; V329-R333 VanDerWaalsContact O-N 3.11Å; R333-S335 VanDerWaalsContact C-N 3.34Å; R333-Q454 PolarHBondContact O-NE2 3.22Å
334D42.2Very low47Very low31 Ų3183 Ų8317%0.16643%0.432CS..THydrogen-bonded Turntrans-77.7-14.7174-70.3-1.4000113.8L332 Q454L332-D334 PolarHBondContact O-N 2.99Å; D334-Q454 PolarHBondContact O-OE1 3.4Å
335S35.1Very low45Very low78 Ų7887.3 Ų87.355%0.54546%0.459SS..THydrogen-bonded Turntrans-109.2-22-175.6-173.20000114.7L332 R333L332-S335 PolarHBondContact O-N 3.41Å; R333-S335 VanDerWaalsContact C-N 3.34Å
336L36.1Very low42.8Very low127 Ų12788.5 Ų88.567%0.66547%0.468SS*.SBendtrans-88.9-12.1-170-87.6159000115.3L332L332-L336 HydrophobicContact CB-CD1 4.08Å; L332-L336 PolarHBondContact O-N 3.01Å
337L39Very low40.5Very low109 Ų10990.8 Ų90.857%0.57149%0.493SS*.SBendtrans-91.1-5.4176.7-76.5160.8000113.6G339L337-G339 PolarHBondContact O-N 3.19Å
338Y33.2Very low38.6Very low180 Ų18093 Ų9371%0.70650%0.504SS*.SBendtrans-75.3-2.9179.1-112.9-91000115.1
339G30.1Very low36.8Very low52 Ų52100 Ų10054%0.53653%0.534SS..SBendtrans-130.4100.6177.300000110.2L337 K341L337-G339 PolarHBondContact O-N 3.19Å; G339-K341 PolarHBondContact O-N 3.45Å
340G29Very low35.1Very low89 Ų89101.7 Ų101.792%0.91854%0.542SS*.  trans-6154.9-176.900000116.7
341K30.3Very low33.7Very low164 Ų164104.9 Ų104.971%0.71356%0.558SS**  trans-127.5116.6158.9-70.3-172.3176.8-175.50106G339 R343G339-K341 PolarHBondContact O-N 3.45Å; K341-R343 HydrophobicContact CB-CG 4.29Å; K341-R343 PolarHBondContact O-N 3.07Å
342K29.7Very low32.6Very low213 Ų213111.1 Ų111.193%0.92659%0.586SS**  trans-5381.4150.8-80.7-178174.6179.60106.5D344K342-D344 PolarHBondContact O-N 3.21Å
343R27.9Very low31.8Very low212 Ų212115.9 Ų115.980%0.860%0.604SS**  trans-78.7114.5157.1-73.6-170-153.2171.77.6102.8K341 V345K341-R343 HydrophobicContact CB-CG 4.29Å; K341-R343 PolarHBondContact O-N 3.07Å; R343-V345 PolarHBondContact O-N 3.45Å
344D29.1Very low31Very low127 Ų127118.7 Ų118.768%0.67962%0.619SS**  trans-40.3141.3176.1-59-55.2000110.1K342 V346K342-D344 PolarHBondContact O-N 3.21Å; D344-V346 HydrophobicContact CB-CB 4.22Å; D344-V346 HydrophobicContact CB-CG2 3.44Å; D344-V346 VanDerWaalsContact CB-CG2 3.44Å; D344-V346 PolarHBondContact O-N 3.17Å
345V31.8Very low30.4Very low106 Ų106122.8 Ų122.864%0.64264%0.636SS**THydrogen-bonded Turntrans-67.652.3165.8-172.50000108.5R343 V348R343-V345 PolarHBondContact O-N 3.45Å; V345-V348 HydrophobicContact CG1-CB 3.97Å; V345-V348 HydrophobicContact CG1-CG2 3.45Å; V345-V348 VanDerWaalsContact CG1-CG2 3.45Å
346V27.9Very low29.9Very low85 Ų85126 Ų12652%0.51565%0.646SS.*THydrogen-bonded Turntrans-82-10.8168.9169.80000109.6D344 N350D344-V346 HydrophobicContact CB-CB 4.22Å; D344-V346 HydrophobicContact CB-CG2 3.44Å; D344-V346 VanDerWaalsContact CB-CG2 3.44Å; D344-V346 PolarHBondContact O-N 3.17Å; V346-N350 PolarHBondContact O-ND2 3.49Å
347G26.8Very low29.4Very low52 Ų52125.9 Ų125.954%0.53665%0.653SS.*THydrogen-bonded Turntrans-76.5-21.7175.700000115.4
348V28.9Very low29Very low65 Ų65129.8 Ų129.839%0.39467%0.668SS.*THydrogen-bonded Turntrans-87.6-36.1-179.6-173.20000110.9V345 N350 L351V345-V348 HydrophobicContact CG1-CB 3.97Å; V345-V348 HydrophobicContact CG1-CG2 3.45Å; V345-V348 VanDerWaalsContact CG1-CG2 3.45Å; V348-N350 PolarHBondContact O-N 3.06Å; V348-L351 PolarHBondContact O-N 3.38Å
349K28.4Very low28.7Very low177 Ų177125.6 Ų125.677%0.7767%0.665SS**THydrogen-bonded Turntrans-67.8-15171.7-68.2-171.6176.4-175.30114.4
350N28.1Very low28.5Very low69 Ų69133.1 Ų133.137%0.36968%0.677SS.*THydrogen-bonded Turntrans-95.7-2.2176.6-80.7-52000113.8V346 V348 E352 K353 F354V346-N350 PolarHBondContact O-ND2 3.49Å; V348-N350 PolarHBondContact O-N 3.06Å; N350-E352 VanDerWaalsContact C-N 3.34Å; N350-K353 PolarHBondContact O-N 2.95Å; N350-F354 VanDerWaalsContact O-CD2 3.22Å; N350-F354 WeakPolarHBondContact O-CD2 3.47Å; N350-F354 WeakPolarHBondContact O-CE2 3.32Å
351L29.3Very low28.5Very low75 Ų75137.8 Ų137.839%0.39367%0.668SS.*G310 helixtrans-76.1-20.4177.4-79.9164.2000113.3V348 K353 F354V348-L351 PolarHBondContact O-N 3.38Å; L351-K353 PolarHBondContact O-N 3.37Å; L351-F354 HydrophobicContact CD2-CD2 3.95Å; L351-F354 HydrophobicContact CD2-CE2 4.28Å; L351-F354 HydrophobicContact CD2-CG 4.32Å; L351-F354 PolarHBondContact O-N 3.33Å; L351-F354 VanDerWaalsContact O-N 3.14Å
352E29.4Very low28.6Very low168 Ų168136.9 Ų136.979%0.78567%0.671SS**G310 helixtrans-63.9-21.7171-74.3-176.3151.500113N350 F354N350-E352 VanDerWaalsContact C-N 3.34Å; E352-F354 VanDerWaalsContact C-N 3.35Å
353K29.7Very low28.4Very low162 Ų162137.3 Ų137.370%0.70467%0.667SS**G310 helixtrans-82.7-4.8175.2-71.6-178.3177.1178.60114.4N350 L351 F355N350-K353 PolarHBondContact O-N 2.95Å; L351-K353 PolarHBondContact O-N 3.37Å; K353-F355 VanDerWaalsContact C-N 3.34Å; K353-F355 PolarHBondContact O-N 3.02Å
354F28.8Very low28.5Very low151 Ų151133.4 Ų133.466%0.66267%0.669SS**G310 helixtrans-87.73.8-175.5-81.2-96.4000114.7N350 L351 E352N350-F354 VanDerWaalsContact O-CD2 3.22Å; N350-F354 WeakPolarHBondContact O-CD2 3.47Å; N350-F354 WeakPolarHBondContact O-CE2 3.32Å; L351-F354 HydrophobicContact CD2-CD2 3.95Å; L351-F354 HydrophobicContact CD2-CE2 4.28Å; L351-F354 HydrophobicContact CD2-CG 4.32Å; L351-F354 PolarHBondContact O-N 3.33Å; L351-F354 VanDerWaalsContact O-N 3.14Å; E352-F354 VanDerWaalsContact C-N 3.35Å
355F29.9Very low28.3Very low118 Ų118132.4 Ų132.452%0.51867%0.672SS.*G310 helixtrans-103.67.9-179.3-75.9-81000114.7K353K353-F355 VanDerWaalsContact C-N 3.34Å; K353-F355 PolarHBondContact O-N 3.02Å
356L24.9Very low28.3Very low145 Ų145137.5 Ų137.576%0.75969%0.686SS**SBendtrans-109.1136.3173.1-69.8170.9000110.9E358L356-E358 PolarHBondContact O-N 3.23Å
357P26Very low28.1Very low125 Ų125145.5 Ų145.581%0.81271%0.707SS**  trans-82104.6-179.231.8-28.4000109
358E29.4Very low28.1Very low191 Ų191146.5 Ų146.589%0.89372%0.717SS**  trans-142.2145.1168-123.4163.7-157.800114.1L356L356-E358 PolarHBondContact O-N 3.23Å
359S27.4Very low27.8Very low91 Ų91148.8 Ų148.864%0.63674%0.736SS**  trans-90152.7-149.666.10000114.3
360R26.3Very low27.7Very low211 Ų211150 Ų15080%0.79674%0.742SS**  trans79.9132.4149.3-74-168.4-95.9-166.4-5120.6
361Y29.7Very low27.5Very low186 Ų186152.6 Ų152.673%0.72977%0.765SS**  trans105.2106.4146.1-79.2-66.5000122.1
362N31Very low27.3Very low146 Ų146153.3 Ų153.378%0.78178%0.776SS**  trans66.9121137.5-74-7.7000124.1
363R26.2Very low27.3Very low222 Ų222150.9 Ų150.984%0.83878%0.775SS**  trans-78.5164.3161.2-71.8-175.6-179-178.92.6111.4
364P29.5Very low27.2Very low129 Ų129149.9 Ų149.984%0.83877%0.773SS**  -137.3160.4111.633.3-18.8000115.3
365S25.4Very low27.2Very low107 Ų107148.6 Ų148.675%0.74876%0.764SS**  trans-74.7151.9-177.872.30000113.8
366K31.9Very low27.2Very low212 Ų212144.8 Ų144.892%0.92275%0.75SS**  trans-155.8132.4139.9-108.2170.7-171.1-175.70111.2
367R24.2Very low27.6Very low253 Ų253138.1 Ų138.196%0.95572%0.716SS**  trans-73.5144.8178.1-63.2172.6-160.2-173.33.9109.8
368G26.4Very low27.8Very low74 Ų74133.1 Ų133.176%0.76368%0.681SS**  trans-168.992.6170.900000109
369S22.7Very low27.9Very low112 Ų112124.4 Ų124.478%0.78364%0.643SS**  trans-73117.8176.145.50000110.7
370F25.7Very low28Very low203 Ų203121.3 Ų121.389%0.8962%0.622SS**  trans-142117157.9-92.2-84.4000109.1S372F370-S372 PolarHBondContact O-N 3.47Å
371S23.3Very low28.4Very low124 Ų124114.5 Ų114.587%0.86760%0.598SS**  trans-80.5101.3175.7510000109.4
372S26.6Very low28.6Very low89 Ų89107.2 Ų107.262%0.62257%0.573SS**  trans-103.8143168.4-61.50000109.4F370 Q374F370-S372 PolarHBondContact O-N 3.47Å; S372-Q374 PolarHBondContact O-N 3.43Å
373P28.8Very low29Very low118 Ų118102.4 Ų102.477%0.76655%0.546SS*.  trans-67.2106.9-174.426.4-30.7000109.7R375P373-R375 PolarHBondContact O-N 2.84Å
374Q27.2Very low29.6Very low141 Ų14193.6 Ų93.666%0.65952%0.517SS*.  trans-69.9110.1-179.9-73.2-178.3-19.300109.9S372S372-Q374 PolarHBondContact O-N 3.43Å
375R29.9Very low30Very low124 Ų12494.5 Ų94.547%0.46850%0.504SS..  trans-83133.7167.5-67.7175.7-175.1-171.57.2107.9P373 T456P373-R375 PolarHBondContact O-N 2.84Å; R375-T456 HydrophobicContact CB-CG2 4.4Å; R375-T456 WeakPolarHBondContact CD-OG1 3.15Å; R375-T456 HydrophobicContact CG-CG2 4.35Å; R375-T456 PolarHBondContact NH1-OG1 3.22Å
376V29.6Very low30.6Very low37 Ų3790 Ų9022%0.22447%0.471CS..  trans-118.6109.5178.9-175.80000108.5N412 F413V376-N412 HydrophobicContact CG2-CB 4.36Å; V376-F413 HydrophobicContact CB-CZ 4.38Å; V376-F413 HydrophobicContact CG1-CE1 4.32Å; V376-F413 HydrophobicContact CG1-CE2 3.64Å; V376-F413 HydrophobicContact CG1-CZ 3.36Å
377V32Very low31.4Very low6 Ų680.5 Ų80.54%0.03643%0.43CS..  trans-107.5135.8168-1690000106.2T456 V457V377-T456 HydrophobicContact CG2-CG2 4.46Å; V377-V457 HydrophobicContact CG1-CB 4.18Å; V377-V457 WeakPolarHBondContact CG2-O 3.19Å
378F31.8Very low32.4Very low20 Ų2073.5 Ų73.59%0.08841%0.407CS..  trans7274.8-167.3-70-85.4000116.1L250 T251 D254 S330 A380L250-F378 HydrophobicContact CB-CE1 3.51Å; L250-F378 HydrophobicContact CB-CE2 4.23Å; L250-F378 HydrophobicContact CB-CZ 3.22Å; L250-F378 HydrophobicContact CD1-CD1 4.47Å; L250-F378 HydrophobicContact CD1-CE1 3.81Å; L250-F378 HydrophobicContact CD1-CZ 4.34Å; L250-F378 HydrophobicContact CG-CE1 4.24Å; L250-F378 HydrophobicContact CG-CZ 4.39Å; T251-F378 WeakPolarHBondContact OG1-CE2 3.47Å; D254-F378 WeakPolarHBondContact OD2-CZ 3.48Å; S330-F378 VanDerWaalsContact CB-CD2 3.48Å; S330-F378 WeakPolarHBondContact OG-CD2 3.47Å; F378-A380 VanDerWaalsContact C-N 3.28Å; F378-A380 PolarHBondContact O-N 3.21Å
379G30.7Very low33.4Very low8 Ų873.1 Ų73.18%0.08239%0.385CS..  trans-85.659.215800000112.4F294 K381F294-G379 WeakPolarHBondContact CE2-O 3.32Å; F294-G379 WeakPolarHBondContact CZ-O 3.34Å; G379-K381 PolarHBondContact O-N 3.12Å
380A29.1Very low34.9Very low26 Ų2668 Ų6822%0.21535%0.348CS..  trans-63.2101.915500000105.4F378 V382F378-A380 VanDerWaalsContact C-N 3.28Å; F378-A380 PolarHBondContact O-N 3.21Å; A380-V382 HydrophobicContact CB-CG2 4.1Å; A380-V382 PolarHBondContact O-N 2.8Å
381K34.7Very low36.6Very low67 Ų6764.2 Ų64.229%0.29133%0.331SS..  trans-7081.2173.7-166.3176.7-176.3-179.60107G379 E383 T384 C634G379-K381 PolarHBondContact O-N 3.12Å; K381-E383 HydrophobicContact CG-CB 4.11Å; K381-E383 PolarHBondContact O-N 3.04Å; K381-T384 PolarHBondContact O-N 2.86Å; K381-T384 PolarHBondContact O-OG1 3.1Å; K381-C634 PolarHBondContact NZ-O 3.12Å
382V34.3Very low38.3Very low34 Ų3463 Ų6321%0.20632%0.315CS..  trans-75.126170.1-162.20000110.3V301 A380 T384 V387 F406V301-V382 HydrophobicContact CG1-CG2 4.2Å; A380-V382 HydrophobicContact CB-CG2 4.1Å; A380-V382 PolarHBondContact O-N 2.8Å; V382-T384 VanDerWaalsContact C-N 3.26Å; V382-V387 HydrophobicContact CG1-CB 4.45Å; V382-V387 HydrophobicContact CG1-CG1 4.35Å; V382-V387 HydrophobicContact CG1-CG2 3.85Å; V382-F406 HydrophobicContact CB-CE2 3.83Å; V382-F406 HydrophobicContact CG1-CE2 3.84Å; V382-F406 WeakPolarHBondContact O-CZ 3.23Å
383E38.6Very low40Very low45 Ų4558.9 Ų58.921%0.2129%0.286CS..  trans-97.333.8159.2-73-175.5161.400110.1K381K381-E383 HydrophobicContact CG-CB 4.11Å; K381-E383 PolarHBondContact O-N 3.04Å
384T38.4Very low41.5Very low36 Ų3655.8 Ų55.822%0.22126%0.261CS..  trans-68.4132.4166.7-11.90000107.1K381 V382 F386 V387K381-T384 PolarHBondContact O-N 2.86Å; K381-T384 PolarHBondContact O-OG1 3.1Å; V382-T384 VanDerWaalsContact C-N 3.26Å; T384-F386 HydrophobicContact CG2-CD2 3.48Å; T384-F386 VanDerWaalsContact CG2-CD2 3.48Å; T384-F386 HydrophobicContact CG2-CE2 3.59Å; T384-F386 PolarHBondContact O-N 3.37Å; T384-V387 PolarHBondContact O-N 3.4Å
385R38.3Very low43Very low148 Ų14853 Ų5356%0.55826%0.263SS*.THydrogen-bonded Turntrans-43.9-28.1-179.6-84.6-179.5174.6-176.2-2.2113.5F388 F389 L637R385-F388 WeakPolarHBondContact O-CB 3.48Å; R385-F388 PolarHBondContact O-N 3.38Å; R385-F389 WeakPolarHBondContact O-CD2 3.45Å; R385-L637 HydrophobicContact CG-CD1 3.29Å
386F38.6Very low44.4Very low14 Ų1451.1 Ų51.16%0.06126%0.259CS..THydrogen-bonded Turntrans-66.1-36.6-179.3-44.2-58.6000113.8V302 T384 F388 F389 E528 Y532 S535V302-F386 HydrophobicContact CG1-CD2 4.41Å; T384-F386 HydrophobicContact CG2-CD2 3.48Å; T384-F386 VanDerWaalsContact CG2-CD2 3.48Å; T384-F386 HydrophobicContact CG2-CE2 3.59Å; T384-F386 PolarHBondContact O-N 3.37Å; F386-F388 VanDerWaalsContact C-N 3.27Å; F386-F388 PolarHBondContact O-N 2.79Å; F386-F389 PolarHBondContact O-N 3.26Å; F386-E528 HydrophobicContact CE2-CG 3.74Å; F386-E528 HydrophobicContact CZ-CG 3.57Å; F386-Y532 AromaticContact CD1-CD2 3.76Å; F386-Y532 HydrophobicContact CD1-CD2 3.76Å; F386-Y532 HydrophobicContact CD1-CG 4.33Å; F386-Y532 AromaticContact CE1-CD2 3.47Å; F386-Y532 HydrophobicContact CE1-CD2 3.47Å; F386-Y532 VanDerWaalsContact CE1-CD2 3.47Å; F386-Y532 AromaticContact CE1-CG 3.85Å; F386-Y532 HydrophobicContact CE1-CG 3.85Å; F386-S535 PolarHBondContact O-OG 3.21Å
387V47.8Very low45.8Very low11 Ų1150.4 Ų50.47%0.06725%0.254CS..G310 helixtrans-74.6-22179.8-174.80000111.9V382 T384 F389 F390 Q394V382-V387 HydrophobicContact CG1-CB 4.45Å; V382-V387 HydrophobicContact CG1-CG1 4.35Å; V382-V387 HydrophobicContact CG1-CG2 3.85Å; T384-V387 PolarHBondContact O-N 3.4Å; V387-F389 VanDerWaalsContact C-N 3.26Å; V387-F389 PolarHBondContact O-N 2.68Å; V387-F390 PolarHBondContact O-N 2.94Å; V387-Q394 PolarHBondContact O-NE2 2.95Å
388F45.2Very low46.6Very low106 Ų10655.1 Ų55.147%0.46528%0.283SS..G310 helixtrans-68.5-22.8172.1-86.5-86.1000113.4R385 F386 F390 L637R385-F388 WeakPolarHBondContact O-CB 3.48Å; R385-F388 PolarHBondContact O-N 3.38Å; F386-F388 VanDerWaalsContact C-N 3.27Å; F386-F388 PolarHBondContact O-N 2.79Å; F388-F390 VanDerWaalsContact C-N 3.31Å; F388-L637 HydrophobicContact CE2-CD2 4.32Å
389F47.3Very low47.9Very low67 Ų6756.6 Ų56.629%0.29430%0.296SS..G310 helixtrans-75-23.2176.2-84.4-76.9000112.9R385 F386 V387 K391 P541R385-F389 WeakPolarHBondContact O-CD2 3.45Å; F386-F389 PolarHBondContact O-N 3.26Å; V387-F389 VanDerWaalsContact C-N 3.26Å; V387-F389 PolarHBondContact O-N 2.68Å; F389-K391 VanDerWaalsContact C-N 3.26Å; F389-K391 PolarHBondContact O-N 3.26Å; F389-P541 HydrophobicContact CD1-CB 4.5Å; F389-P541 HydrophobicContact CD1-CG 4.12Å; F389-P541 HydrophobicContact CE1-CB 3.79Å; F389-P541 HydrophobicContact CE1-CG 3.58Å; F389-P541 HydrophobicContact CZ-CG 4.33Å
390F56Low49.3Very low3 Ų362.4 Ų62.41%0.01332%0.321CS..  trans-8357.8-177.7-65.4-62.8000114.3V305 V306 V387 F388 N392 T393 Q394 I538 E539V305-F390 HydrophobicContact CG1-CD2 4.42Å; V305-F390 HydrophobicContact CG1-CE2 4.15Å; V306-F390 HydrophobicContact CG1-CE2 3.92Å; V306-F390 HydrophobicContact CG1-CZ 3.92Å; V387-F390 PolarHBondContact O-N 2.94Å; F388-F390 VanDerWaalsContact C-N 3.31Å; F390-N392 PolarHBondContact O-N 3.03Å; F390-T393 PolarHBondContact O-N 3.35Å; F390-Q394 WeakPolarHBondContact O-CB 3.38Å; F390-Q394 VanDerWaalsContact O-CG 3.32Å; F390-Q394 WeakPolarHBondContact O-CG 3.21Å; F390-Q394 PolarHBondContact O-N 2.82Å; F390-I538 HydrophobicContact CD1-CG2 4.18Å; F390-I538 HydrophobicContact CE1-CB 3.7Å; F390-I538 HydrophobicContact CE1-CD1 3.98Å; F390-I538 HydrophobicContact CE1-CG1 4.47Å; F390-I538 HydrophobicContact CE1-CG2 3.49Å; F390-I538 VanDerWaalsContact CE1-CG2 3.49Å; F390-I538 HydrophobicContact CZ-CB 4.39Å; F390-I538 HydrophobicContact CZ-CD1 3.92Å; F390-I538 HydrophobicContact CZ-CG2 4.48Å; F390-E539 VanDerWaalsContact CA-OE1 3.29Å; F390-E539 WeakPolarHBondContact CA-OE1 3.34Å; F390-E539 VanDerWaalsContact CA-OE2 3.23Å; F390-E539 WeakPolarHBondContact CA-OE2 3.48Å; F390-E539 HydrophobicContact CD1-CB 4.31Å; F390-E539 HydrophobicContact CD1-CG 3.9Å; F390-E539 WeakPolarHBondContact CD1-OE1 3.38Å; F390-E539 HydrophobicContact CE1-CG 4.47Å
391K61.1Low50.4Low124 Ų12469 Ų6954%0.53934%0.34SS..Hα-helixtrans-57.1-38.5178-71.6-175.4179.1176.90112F389 Q394 A395 E539F389-K391 VanDerWaalsContact C-N 3.26Å; F389-K391 PolarHBondContact O-N 3.26Å; K391-Q394 PolarHBondContact O-N 3.19Å; K391-A395 WeakPolarHBondContact O-CB 3.49Å; K391-A395 PolarHBondContact O-N 3.34Å; K391-E539 PolarHBondContact N-OE2 3.36Å
392N58.8Low51.2Low98 Ų9866.3 Ų66.352%0.52433%0.33SS..Hα-helixtrans-70.5-43.3178.4-64.2-24.6000110.8F390 Q394 A395 E396 E539F390-N392 PolarHBondContact O-N 3.03Å; N392-Q394 VanDerWaalsContact C-N 3.31Å; N392-Q394 PolarHBondContact O-N 3.24Å; N392-A395 PolarHBondContact O-N 2.89Å; N392-E396 VanDerWaalsContact O-CG 3.31Å; N392-E396 WeakPolarHBondContact O-CG 3.46Å; N392-E396 PolarHBondContact O-N 3.37Å; N392-E396 VanDerWaalsContact O-N 3.09Å; N392-E539 WeakPolarHBondContact CB-OE1 3.23Å; N392-E539 PolarHBondContact N-OE1 3.19Å; N392-E539 PolarHBondContact N-OE2 3.35Å
393T61.8Low52.2Low3 Ų368.4 Ų68.42%0.01834%0.335CS..Hα-helixtrans-62.7-38.3175.8-490000111.8R316 A317 F390 E396 I397 E539R316-T393 HydrophobicContact CB-CG2 3.64Å; R316-T393 PolarHBondContact NE-OG1 3.39Å; A317-T393 HydrophobicContact CB-CG2 4.01Å; F390-T393 PolarHBondContact O-N 3.35Å; T393-E396 PolarHBondContact O-N 2.88Å; T393-I397 WeakPolarHBondContact O-CG1 3.29Å; T393-I397 PolarHBondContact O-N 3.37Å; T393-E539 PolarHBondContact N-OE1 2.88Å; T393-E539 PolarHBondContact OG1-OE1 3.47Å
394Q60.8Low53.3Low53 Ų5372.1 Ų72.125%0.24835%0.347CS..Hα-helixtrans-66.5-38.5175.8-72.2-179.111.400112.6V387 F390 K391 N392 E396 I397V387-Q394 PolarHBondContact O-NE2 2.95Å; F390-Q394 WeakPolarHBondContact O-CB 3.38Å; F390-Q394 VanDerWaalsContact O-CG 3.32Å; F390-Q394 WeakPolarHBondContact O-CG 3.21Å; F390-Q394 PolarHBondContact O-N 2.82Å; K391-Q394 PolarHBondContact O-N 3.19Å; N392-Q394 VanDerWaalsContact C-N 3.31Å; N392-Q394 PolarHBondContact O-N 3.24Å; Q394-E396 VanDerWaalsContact C-N 3.28Å; Q394-E396 PolarHBondContact O-N 2.89Å; Q394-I397 WeakPolarHBondContact O-CB 3.14Å; Q394-I397 PolarHBondContact O-N 2.96Å
395A58.1Low54.2Low83 Ų8371.6 Ų71.669%0.68634%0.343SS*.Hα-helixtrans-65-3317600000112.2K391 N392 I397K391-A395 WeakPolarHBondContact O-CB 3.49Å; K391-A395 PolarHBondContact O-N 3.34Å; N392-A395 PolarHBondContact O-N 2.89Å; A395-I397 VanDerWaalsContact C-N 3.27Å; A395-I397 PolarHBondContact O-N 2.83Å
396E59.4Low54.9Low85 Ų8566.8 Ų66.840%0.39733%0.326SS..THydrogen-bonded Turntrans-75.8-8.6176.3-69-68.6166.700113.8A317 N392 T393 Q394 T398A317-E396 HydrophobicContact CB-CB 3.87Å; N392-E396 VanDerWaalsContact O-CG 3.31Å; N392-E396 WeakPolarHBondContact O-CG 3.46Å; N392-E396 PolarHBondContact O-N 3.37Å; N392-E396 VanDerWaalsContact O-N 3.09Å; T393-E396 PolarHBondContact O-N 2.88Å; Q394-E396 VanDerWaalsContact C-N 3.28Å; Q394-E396 PolarHBondContact O-N 2.89Å; E396-T398 PolarHBondContact O-N 2.64Å
397I59.3Low55.7Low21 Ų2173.6 Ų73.611%0.10835%0.351CS..  trans-7283.3171.7-57.3174.2000108.3A317 V320 T393 Q394 A395 S399 A402A317-I397 HydrophobicContact CB-CG1 4.18Å; V320-I397 HydrophobicContact CG1-CD1 3.88Å; T393-I397 WeakPolarHBondContact O-CG1 3.29Å; T393-I397 PolarHBondContact O-N 3.37Å; Q394-I397 WeakPolarHBondContact O-CB 3.14Å; Q394-I397 PolarHBondContact O-N 2.96Å; A395-I397 VanDerWaalsContact C-N 3.27Å; A395-I397 PolarHBondContact O-N 2.83Å; I397-S399 PolarHBondContact O-N 2.82Å; I397-A402 HydrophobicContact CG2-CB 4.16Å
398T49.5Very low56Low106 Ų10680.8 Ų80.865%0.6538%0.377SS*.  trans-60-25.5-179.738.20000113.1E396 Q400E396-T398 PolarHBondContact O-N 2.64Å; T398-Q400 PolarHBondContact O-N 3Å; T398-Q400 VanDerWaalsContact O-N 3.14Å
399S58.5Low56Low51 Ų5176.8 Ų76.836%0.35736%0.361SS..  trans-79.798176.7-178.30000111.8I397 R401 A402 Y403I397-S399 PolarHBondContact O-N 2.82Å; S399-R401 PolarHBondContact O-N 3.42Å; S399-A402 WeakPolarHBondContact O-CB 3.37Å; S399-A402 PolarHBondContact O-N 2.81Å; S399-A402 PolarHBondContact OG-N 2.99Å; S399-A402 VanDerWaalsContact OG-N 3.09Å; S399-Y403 PolarHBondContact O-N 3.34Å
400Q59.2Low55.7Low129 Ų12974.2 Ų74.260%0.60335%0.354SS*.Hα-helixtrans-57.3-23.6171-154.1175.131.600112.3T398 R404T398-Q400 PolarHBondContact O-N 3Å; T398-Q400 VanDerWaalsContact O-N 3.14Å; Q400-R404 WeakPolarHBondContact O-CB 3.47Å; Q400-R404 WeakPolarHBondContact O-CG 3.43Å; Q400-R404 PolarHBondContact O-N 2.82Å; Q400-R404 VanDerWaalsContact O-N 3.09Å
401R52.7Low55.1Low166 Ų16676.1 Ų76.163%0.62637%0.37SS*.Hα-helixtrans-72.5-44.8173-174.4177179.4164.3-0.4111.7S399 R404 L405S399-R401 PolarHBondContact O-N 3.42Å; R401-R404 PolarHBondContact O-N 2.91Å; R401-L405 WeakPolarHBondContact O-CB 3.44Å; R401-L405 PolarHBondContact O-N 2.79Å
402A51.2Low54.2Low9 Ų972.5 Ų72.57%0.07436%0.356CS..Hα-helixtrans-61.8-44.417600000111I324 I397 S399 R404 L405 F406I324-A402 HydrophobicContact CG2-CB 4.18Å; I397-A402 HydrophobicContact CG2-CB 4.16Å; S399-A402 WeakPolarHBondContact O-CB 3.37Å; S399-A402 PolarHBondContact O-N 2.81Å; S399-A402 PolarHBondContact OG-N 2.99Å; S399-A402 VanDerWaalsContact OG-N 3.09Å; A402-R404 PolarHBondContact O-N 3.16Å; A402-L405 PolarHBondContact O-N 2.82Å; A402-F406 WeakPolarHBondContact O-CB 3.49Å; A402-F406 PolarHBondContact O-N 3.29Å
403Y56.1Low53.4Low79 Ų7970.8 Ų70.831%0.3134%0.344SS..Hα-helixtrans-64.6-40.7176.6-172.8-104.8000113.1S399 L405 F406 R407S399-Y403 PolarHBondContact O-N 3.34Å; Y403-L405 VanDerWaalsContact C-N 3.34Å; Y403-F406 PolarHBondContact O-N 2.81Å; Y403-R407 HydrophobicContact CE1-CG 4.47Å; Y403-R407 VanDerWaalsContact CE1-NE 3.28Å; Y403-R407 PolarHBondContact O-N 3Å; Y403-R407 VanDerWaalsContact O-N 3.08Å
404R61.7Low52.3Low123 Ų12372.9 Ų72.946%0.46436%0.359SS..Hα-helixtrans-65.4-37.7173.5-77174.9-166.8147.68.3112.1Q400 R401 A402 R408Q400-R404 WeakPolarHBondContact O-CB 3.47Å; Q400-R404 WeakPolarHBondContact O-CG 3.43Å; Q400-R404 PolarHBondContact O-N 2.82Å; Q400-R404 VanDerWaalsContact O-N 3.09Å; R401-R404 PolarHBondContact O-N 2.91Å; A402-R404 PolarHBondContact O-N 3.16Å; R404-R408 WeakPolarHBondContact O-CB 3.39Å; R404-R408 PolarHBondContact O-N 2.95Å
405L55.9Low51.1Low25 Ų2579.7 Ų79.713%0.13138%0.383CS..Hα-helixtrans-66.5-48.3176.5-171.386.4000110.7I324 Q328 R401 A402 Y403 R407 R408 V409I324-L405 HydrophobicContact CG2-CB 4.46Å; I324-L405 HydrophobicContact CG2-CD2 3.71Å; Q328-L405 HydrophobicContact CB-CD2 3.37Å; Q328-L405 HydrophobicContact CG-CD1 3.75Å; Q328-L405 HydrophobicContact CG-CD2 3.44Å; Q328-L405 VanDerWaalsContact CG-CD2 3.44Å; Q328-L405 HydrophobicContact CG-CG 4.21Å; Q328-L405 VanDerWaalsContact OE1-CD2 3.31Å; R401-L405 WeakPolarHBondContact O-CB 3.44Å; R401-L405 PolarHBondContact O-N 2.79Å; A402-L405 PolarHBondContact O-N 2.82Å; Y403-L405 VanDerWaalsContact C-N 3.34Å; L405-R407 VanDerWaalsContact C-N 3.28Å; L405-R407 PolarHBondContact O-N 3.4Å; L405-R408 CarbonylContact O-C 3.55Å; L405-R408 WeakPolarHBondContact O-CA 3.18Å; L405-R408 WeakPolarHBondContact O-CB 3.36Å; L405-R408 PolarHBondContact O-N 3.42Å; L405-V409 HydrophobicContact CG-CG2 4.22Å; L405-V409 WeakPolarHBondContact O-CG2 3.49Å; L405-V409 PolarHBondContact O-N 3.13Å
406F52.9Low49.9Very low47 Ų4776.9 Ų76.921%0.20636%0.362CS..Hα-helixtrans-50.1-49.4174.5177.3-94.9000111.2I324 V382 A402 Y403 R408 V409 G410I324-F406 HydrophobicContact CD1-CB 4.07Å; I324-F406 HydrophobicContact CD1-CD2 4.06Å; I324-F406 HydrophobicContact CD1-CG 4.41Å; I324-F406 HydrophobicContact CG1-CB 4.48Å; I324-F406 HydrophobicContact CG1-CD2 4.17Å; V382-F406 HydrophobicContact CB-CE2 3.83Å; V382-F406 HydrophobicContact CG1-CE2 3.84Å; V382-F406 WeakPolarHBondContact O-CZ 3.23Å; A402-F406 WeakPolarHBondContact O-CB 3.49Å; A402-F406 PolarHBondContact O-N 3.29Å; Y403-F406 PolarHBondContact O-N 2.81Å; F406-R408 PolarHBondContact O-N 2.98Å; F406-V409 PolarHBondContact O-N 3.27Å; F406-G410 PolarHBondContact O-N 2.92Å
407R57.5Low48.6Very low157 Ų15775.9 Ų75.959%0.59237%0.374SS*.Hα-helixtrans-63.9-35.6175.3-73.8-151.3-88.1175.2-8113.8Y403 L405 A411Y403-R407 HydrophobicContact CE1-CG 4.47Å; Y403-R407 VanDerWaalsContact CE1-NE 3.28Å; Y403-R407 PolarHBondContact O-N 3Å; Y403-R407 VanDerWaalsContact O-N 3.08Å; L405-R407 VanDerWaalsContact C-N 3.28Å; L405-R407 PolarHBondContact O-N 3.4Å; R407-A411 VanDerWaalsContact O-CB 3.29Å; R407-A411 WeakPolarHBondContact O-CB 3.37Å; R407-A411 PolarHBondContact O-N 2.99Å
408R52.4Low47.4Very low161 Ų16183.2 Ų83.261%0.60841%0.408SS*.Hα-helixtrans-69.8-42.6177.5-171.6-176.8-67.7169.3-3.4111.8R404 L405 F406 A411 N412R404-R408 WeakPolarHBondContact O-CB 3.39Å; R404-R408 PolarHBondContact O-N 2.95Å; L405-R408 CarbonylContact O-C 3.55Å; L405-R408 WeakPolarHBondContact O-CA 3.18Å; L405-R408 WeakPolarHBondContact O-CB 3.36Å; L405-R408 PolarHBondContact O-N 3.42Å; F406-R408 PolarHBondContact O-N 2.98Å; R408-A411 PolarHBondContact O-N 3.42Å; R408-N412 PolarHBondContact O-N 3.33Å; R408-N412 PolarHBondContact O-OD1 2.98Å
409V46.8Very low46.6Very low23 Ų2385.3 Ų85.314%0.13941%0.41CS..Hα-helixtrans-62.8-47.3176.3175.10000109.7L405 F406 A411 N412 F413L405-V409 HydrophobicContact CG-CG2 4.22Å; L405-V409 WeakPolarHBondContact O-CG2 3.49Å; L405-V409 PolarHBondContact O-N 3.13Å; F406-V409 PolarHBondContact O-N 3.27Å; V409-A411 VanDerWaalsContact C-N 3.32Å; V409-A411 PolarHBondContact O-N 3.36Å; V409-N412 PolarHBondContact O-N 3Å; V409-F413 HydrophobicContact CG1-CE2 4.27Å; V409-F413 WeakPolarHBondContact O-CD2 3.34Å
410G41.1Very low45.3Very low13 Ų1387.3 Ų87.313%0.13442%0.423CS..Hα-helixtrans-59.5-38.6173.900000113.7F406 N412 F413 S414F406-G410 PolarHBondContact O-N 2.92Å; G410-N412 PolarHBondContact O-N 2.81Å; G410-F413 PolarHBondContact O-N 3.07Å; G410-S414 PolarHBondContact O-N 2.89Å; G410-S414 PolarHBondContact O-OG 3.21Å
411A43.4Very low43.8Very low42 Ų4291.4 Ų91.435%0.34743%0.433SS..Hα-helixtrans-66.7-33.2177.300000113.7R407 R408 V409 F413 S414 R415R407-A411 VanDerWaalsContact O-CB 3.29Å; R407-A411 WeakPolarHBondContact O-CB 3.37Å; R407-A411 PolarHBondContact O-N 2.99Å; R408-A411 PolarHBondContact O-N 3.42Å; V409-A411 VanDerWaalsContact C-N 3.32Å; V409-A411 PolarHBondContact O-N 3.36Å; A411-F413 VanDerWaalsContact C-N 3.31Å; A411-F413 PolarHBondContact O-N 2.78Å; A411-S414 PolarHBondContact O-N 2.88Å; A411-R415 PolarHBondContact O-N 3.1Å
412N41.5Very low42.7Very low49 Ų4989.1 Ų89.126%0.26243%0.432SS..Hα-helixtrans-64.5-36.2176.9-74.1-5.4000111.7V376 R408 V409 G410 G416V376-N412 HydrophobicContact CG2-CB 4.36Å; R408-N412 PolarHBondContact O-N 3.33Å; R408-N412 PolarHBondContact O-OD1 2.98Å; V409-N412 PolarHBondContact O-N 3Å; G410-N412 PolarHBondContact O-N 2.81Å; N412-G416 VanDerWaalsContact O-CA 3.28Å; N412-G416 WeakPolarHBondContact O-CA 3.38Å; N412-G416 PolarHBondContact O-N 3.4Å
413F41.7Very low41.5Very low61 Ų6194.4 Ų94.427%0.26847%0.468SS..Hα-helixtrans-76.3-32.2173.1-72.5-79.4000112.6V376 V409 G410 A411 R415 G416V376-F413 HydrophobicContact CB-CZ 4.38Å; V376-F413 HydrophobicContact CG1-CE1 4.32Å; V376-F413 HydrophobicContact CG1-CE2 3.64Å; V376-F413 HydrophobicContact CG1-CZ 3.36Å; V409-F413 HydrophobicContact CG1-CE2 4.27Å; V409-F413 WeakPolarHBondContact O-CD2 3.34Å; G410-F413 PolarHBondContact O-N 3.07Å; A411-F413 VanDerWaalsContact C-N 3.31Å; A411-F413 PolarHBondContact O-N 2.78Å; F413-R415 VanDerWaalsContact C-N 3.34Å; F413-R415 PolarHBondContact O-N 3.47Å; F413-G416 PolarHBondContact O-N 3.37Å
414S38Very low40.1Very low47 Ų4794.2 Ų94.233%0.32948%0.479SS..Hα-helixtrans-69.9-27.8177.6-60.10000114.3G410 A411 I638G410-S414 PolarHBondContact O-N 2.89Å; G410-S414 PolarHBondContact O-OG 3.21Å; A411-S414 PolarHBondContact O-N 2.88Å; S414-I638 WeakPolarHBondContact OG-CD1 3.35Å; S414-I638 WeakPolarHBondContact OG-CG1 3.41Å
415R36.3Very low38.5Very low197 Ų19792.1 Ų92.174%0.74348%0.483SS*.Hα-helixtrans-100.6-13.1175.1-68.7-176.6174.5-156.4-2.3113.4A411 F413 G417A411-R415 PolarHBondContact O-N 3.1Å; F413-R415 VanDerWaalsContact C-N 3.34Å; F413-R415 PolarHBondContact O-N 3.47Å; R415-G417 PolarHBondContact O-N 2.84Å
416G33.7Very low37.1Very low24 Ų2495 Ų9525%0.24750%0.503CS..THydrogen-bonded Turntrans-76-9-165.700000117N412 F413 Q418N412-G416 VanDerWaalsContact O-CA 3.28Å; N412-G416 WeakPolarHBondContact O-CA 3.38Å; N412-G416 PolarHBondContact O-N 3.4Å; F413-G416 PolarHBondContact O-N 3.37Å; G416-Q418 PolarHBondContact O-N 2.92Å; G416-Q418 VanDerWaalsContact O-N 3.11Å
417G31.2Very low36Very low64 Ų6497.8 Ų97.866%0.6651%0.513SS*.THydrogen-bonded Turntrans-66.5-9.1179.600000115.5R415R415-G417 PolarHBondContact O-N 2.84Å
418Q34.4Very low34.8Very low175 Ų17593.6 Ų93.682%0.81851%0.512SS*.THydrogen-bonded Turntrans-130.8-3.6-179.2-70.2-179.1-7.700114.4G416G416-Q418 PolarHBondContact O-N 2.92Å; G416-Q418 VanDerWaalsContact O-N 3.11Å
419Q32.3Very low33.6Very low150 Ų15096.7 Ų96.770%0.70152%0.524SS*.THydrogen-bonded Turntrans-115.1-2.6-158.7-140.3145.92100115.7R421Q419-R421 PolarHBondContact O-N 3.16Å
420C31.8Very low32.6Very low92 Ų9297.5 Ų97.562%0.62254%0.536SS*.  trans-80.421.6163.8-68.70000113.1I422C420-I422 VanDerWaalsContact C-N 3.28Å; C420-I422 PolarHBondContact O-N 3.32Å
421R27.5Very low31.9Very low215 Ų215100.8 Ų100.881%0.81155%0.551SS**  trans-68.993.5161.4-79.8-178.2173.6166.90.5107.3Q419 S423Q419-R421 PolarHBondContact O-N 3.16Å; R421-S423 PolarHBondContact O-N 3.22Å
422I30Very low31.3Very low118 Ų11899.4 Ų99.461%0.60554%0.538SS*.  trans-49.4117.7146.4-60.2175.8000104C420 S424C420-I422 VanDerWaalsContact C-N 3.28Å; C420-I422 PolarHBondContact O-N 3.32Å; I422-S424 PolarHBondContact O-N 2.94Å
423S24.9Very low30.7Very low120 Ų120103.8 Ų103.884%0.83956%0.555SS**SBendtrans-60.780.3178.451.50000109.3R421R421-S423 PolarHBondContact O-N 3.22Å
424S27.4Very low30.2Very low75 Ų75104.6 Ų104.652%0.52456%0.562SS.*  trans-173.571.5171.155.80000108.9I422 P426I422-S424 PolarHBondContact O-N 2.94Å; S424-P426 WeakPolarHBondContact O-CD 3.36Å
425S27.8Very low29.8Very low80 Ų80103.7 Ų103.756%0.55956%0.56SS**  trans-85.7105.4146.4174.20000106Y427S425-Y427 PolarHBondContact O-N 2.81Å
426P27.2Very low29.4Very low84 Ų8496.1 Ų96.155%0.54554%0.537SS..THydrogen-bonded Turntrans-77.9-4.8-174.2-12.530.1000113.7S424S424-P426 WeakPolarHBondContact O-CD 3.36Å
427Y30.4Very low28.9Very low106 Ų106103.3 Ų103.342%0.41656%0.556SS.*THydrogen-bonded Turntrans-106.9-0.9-178.1-90.8-86.3000115.1S425 R429 V432S425-Y427 PolarHBondContact O-N 2.81Å; Y427-R429 VanDerWaalsContact C-N 3.34Å; Y427-R429 PolarHBondContact O-N 3.42Å; Y427-V432 HydrophobicContact CE1-CG2 4.33Å
428A30.7Very low29Very low70 Ų70107.8 Ų107.858%0.57956%0.564SS**THydrogen-bonded Turntrans-96.446.4170.500000112.6
429R27.5Very low28.8Very low226 Ų226105.5 Ų105.585%0.85355%0.553SS**THydrogen-bonded Turntrans156.795.1158.2-93.8176.9-89.7-159.3-4.9110.3Y427 N431Y427-R429 VanDerWaalsContact C-N 3.34Å; Y427-R429 PolarHBondContact O-N 3.42Å; R429-N431 VanDerWaalsContact C-N 3.33Å; R429-N431 PolarHBondContact O-N 2.9Å
430G26.5Very low28.6Very low39 Ų39101.9 Ų101.940%0.40254%0.539SS..THydrogen-bonded Turntrans55.522.7135.200000121S2 S3S2-G430 WeakPolarHBondContact CA-O 3.46Å; S2-G430 PolarHBondContact OG-O 3.34Å; S3-G430 PolarHBondContact N-O 3.21Å; S3-G430 CarbonylContact O-C 3.59Å; S3-G430 VanDerWaalsContact O-CA 3.31Å; S3-G430 WeakPolarHBondContact O-CA 3.47Å
431N27Very low28.5Very low83 Ų83104.5 Ų104.544%0.44455%0.546SS..  trans-138.183.9172.4-87.5-32.9000110.3M1 S2 R429 K433M1-N431 PolarHBondContact O-OD1 2.97Å; S2-N431 VanDerWaalsContact CA-OD1 3.28Å; S2-N431 WeakPolarHBondContact CA-OD1 3.24Å; R429-N431 VanDerWaalsContact C-N 3.33Å; R429-N431 PolarHBondContact O-N 2.9Å; N431-K433 PolarHBondContact O-N 3.2Å
432V30.3Very low28.6Very low13 Ų1398.6 Ų98.68%0.07954%0.537CS..  trans-6186.2155172.40000106.9S3 K21 Y427 D434S3-V432 VanDerWaalsContact CB-CG2 3.46Å; S3-V432 VanDerWaalsContact OG-CB 3.27Å; S3-V432 WeakPolarHBondContact OG-CB 3.38Å; S3-V432 WeakPolarHBondContact OG-CG2 3.4Å; S3-V432 PolarHBondContact OG-N 3.31Å; K21-V432 HydrophobicContact CD-CB 4.42Å; K21-V432 HydrophobicContact CD-CG1 3.99Å; K21-V432 WeakPolarHBondContact CE-O 3.4Å; K21-V432 PolarHBondContact NZ-O 3.14Å; K21-V432 VanDerWaalsContact NZ-O 3.07Å; Y427-V432 HydrophobicContact CE1-CG2 4.33Å; V432-D434 WeakPolarHBondContact CG1-OD1 3.19Å; V432-D434 PolarHBondContact O-N 2.96Å
433K28.8Very low28.6Very low140 Ų14096.5 Ų96.561%0.60953%0.533SS*.  trans-81.2102.7156.4-79.1-171.5175.7-176.70105.8N431N431-K433 PolarHBondContact O-N 3.2Å
434D31.2Very low28.8Very low79 Ų7998.5 Ų98.542%0.42253%0.529SS..  trans-52.5158.9172.2-70.7-2.8000110.8K21 V432 C436K21-D434 IonicContact NZ-OD1 2.66Å; K21-D434 PolarHBondContact NZ-OD1 2.9Å; K21-D434 IonicContact NZ-OD2 2.72Å; K21-D434 PolarHBondContact NZ-OD2 3.29Å; V432-D434 WeakPolarHBondContact CG1-OD1 3.19Å; V432-D434 PolarHBondContact O-N 2.96Å; D434-C436 PolarHBondContact O-N 3.26Å
435G29.1Very low28.9Very low27 Ų2798.7 Ų98.728%0.27853%0.527SS..SBendtrans-40.9118.6-174.800000115.2R51R51-G435 PolarHBondContact NH2-O 3.19Å
436C27.6Very low28.9Very low38 Ų38104.8 Ų104.826%0.25754%0.543SS..  trans-169.158.2144.4-163.60000108.7D434D434-C436 PolarHBondContact O-N 3.26Å
437W24.7Very low28.9Very low175 Ų175109 Ų10966%0.66356%0.556SS**THydrogen-bonded Turntrans-99.25.9179.6-68.5106.5000113.9
438I32.6Very low28.6Very low159 Ų159110.6 Ų110.682%0.81558%0.577SS**THydrogen-bonded Turntrans-100.4-18.3172.6-62.3-177000112.6
439Q30.2Very low28.3Very low127 Ų127115 Ų11559%0.59359%0.585SS**THydrogen-bonded Turntrans-111.3-14-178.3-81.7172.1-31.400115.3S442 S443Q439-S442 PolarHBondContact O-N 3.48Å; Q439-S442 PolarHBondContact O-OG 2.84Å; Q439-S443 WeakPolarHBondContact O-CB 3.42Å; Q439-S443 PolarHBondContact O-N 2.82Å; Q439-S443 PolarHBondContact O-OG 3.49Å
440N28.1Very low28.2Very low74 Ų74111.1 Ų111.140%0.39659%0.587SS.*SBendtrans-89.7-7.1-178.2-88-35.7000115.5S442N440-S442 VanDerWaalsContact C-N 3.33Å
441L30.3Very low28.6Very low147 Ų147114.3 Ų114.377%0.7760%0.595SS**THydrogen-bonded Turntrans-79.2-17.4164.6-98.685.6000112.8
442S29.2Very low29Very low91 Ų91117.2 Ų117.264%0.63661%0.605SS**THydrogen-bonded Turntrans-98.2-10176.754.70000113.9Q439 N440Q439-S442 PolarHBondContact O-N 3.48Å; Q439-S442 PolarHBondContact O-OG 2.84Å; N440-S442 VanDerWaalsContact C-N 3.33Å
443S29.3Very low29.8Very low73 Ų73120.6 Ų120.651%0.5163%0.626SS.*THydrogen-bonded Turntrans-114.2-8.6-169-47.30000114.5Q439Q439-S443 WeakPolarHBondContact O-CB 3.42Å; Q439-S443 PolarHBondContact O-N 2.82Å; Q439-S443 PolarHBondContact O-OG 3.49Å
444Q28.2Very low31.2Very low163 Ų163116 Ų11676%0.76261%0.607SS**SBendtrans-106.652.8173.3-75.7-169.9-10.100111.7
445T30.8Very low32.9Very low78 Ų78112.4 Ų112.448%0.47959%0.588SS.*  trans-144.343.7164.5-22.30000110.9Q447T445-Q447 PolarHBondContact O-N 2.76Å
446K26.9Very low35.2Very low208 Ų208111.7 Ų111.790%0.90458%0.578SS**  trans-85.761.2158.9-78.1-172.3177.7-178.50109.3
447Q26.6Very low37.6Very low173 Ų173110.4 Ų110.481%0.80857%0.569SS**SBendtrans-166.484.7161.3-104.5175.617.900107.2T445 Q449T445-Q447 PolarHBondContact O-N 2.76Å; Q447-Q449 PolarHBondContact O-N 2.95Å
448T24.3Very low40.4Very low140 Ų140103.2 Ų103.286%0.85955%0.545SS*.SBendtrans3671.5142.4-28.80000118.4
449Q24.3Very low42.8Very low161 Ų16199.8 Ų99.875%0.75252%0.523SS*.  trans-166.4119.2147.6-107.4168.432.900108.5Q447 L451Q447-Q449 PolarHBondContact O-N 2.95Å; Q449-L451 PolarHBondContact O-N 3.36Å
450T25.7Very low45.6Very low145 Ų14594.1 Ų94.189%0.8950%0.496SS*.  trans-65.592.3175.147.70000109.9E452T450-E452 PolarHBondContact O-N 3.05Å; T450-E452 VanDerWaalsContact O-N 3.09Å
451L35.6Very low48.2Very low107 Ų10791.2 Ų91.256%0.5648%0.484SS*.  trans-70.194.8169.1-86.7149000108.7Q449 V453Q449-L451 PolarHBondContact O-N 3.36Å; L451-V453 PolarHBondContact O-N 3.18Å; L451-V453 VanDerWaalsContact O-N 3.16Å
452E35.6Very low50.6Low143 Ų14386.2 Ų86.267%0.66846%0.459SS*.  trans-62.5112.9165.4-78.8-172.2157.100108.6T450 Q454T450-E452 PolarHBondContact O-N 3.05Å; T450-E452 VanDerWaalsContact O-N 3.09Å; E452-Q454 PolarHBondContact O-N 3.46Å; E452-Q454 VanDerWaalsContact O-N 3.16Å
453V46.9Very low53.5Low84 Ų8483 Ų8351%0.50943%0.434SS..  trans-70.6110.1176.6-175.40000108.2L451 Y507L451-V453 PolarHBondContact O-N 3.18Å; L451-V453 VanDerWaalsContact O-N 3.16Å; V453-Y507 HydrophobicContact CB-CD2 4.16Å; V453-Y507 HydrophobicContact CB-CE2 4.11Å; V453-Y507 HydrophobicContact CG1-CD2 3.51Å; V453-Y507 HydrophobicContact CG1-CE2 3.4Å; V453-Y507 VanDerWaalsContact CG1-CE2 3.4Å; V453-Y507 HydrophobicContact CG1-CG 4.35Å; V453-Y507 WeakPolarHBondContact O-CB 3.32Å
454Q57.8Low56.4Low45 Ų4580.1 Ų80.121%0.2141%0.413CS..  trans-85.5147.7178.4-66.3-177.8-46.600112R333 D334 E452R333-Q454 PolarHBondContact O-NE2 3.22Å; D334-Q454 PolarHBondContact O-OE1 3.4Å; E452-Q454 PolarHBondContact O-N 3.46Å; E452-Q454 VanDerWaalsContact O-N 3.16Å
455G68.1Low59.3Low3 Ų376.2 Ų76.23%0.03140%0.4CS..  trans-65.1154.4172.800000112.9N504 Y508G455-N504 WeakPolarHBondContact CA-O 3.15Å; G455-Y508 VanDerWaalsContact C-CE2 3.4Å; G455-Y508 VanDerWaalsContact C-OH 3.3Å; G455-Y508 PolarHBondContact O-OH 2.91Å; G455-Y508 VanDerWaalsContact O-OH 3.06Å
456T75.9Confident62.1Low11 Ų1175 Ų757%0.06739%0.39CS..  trans-148.1131.9176.8-59.10000110.2R375 V377 I501 Y508R375-T456 HydrophobicContact CB-CG2 4.4Å; R375-T456 WeakPolarHBondContact CD-OG1 3.15Å; R375-T456 HydrophobicContact CG-CG2 4.35Å; R375-T456 PolarHBondContact NH1-OG1 3.22Å; V377-T456 HydrophobicContact CG2-CG2 4.46Å; T456-I501 HydrophobicContact CG2-CG2 4.35Å; T456-Y508 VanDerWaalsContact CA-OH 3.26Å; T456-Y508 WeakPolarHBondContact CA-OH 3.48Å; T456-Y508 VanDerWaalsContact N-CE2 3.32Å; T456-Y508 PolarHBondContact N-OH 2.96Å
457V79.1Confident65.3Low11 Ų1165.1 Ų65.17%0.06735%0.348CS..  trans-111.6113.7169.4-170.90000109.7D254 A255 F258 V377 Y508D254-V457 HydrophobicContact CB-CG1 4.19Å; A255-V457 HydrophobicContact CB-CG2 3.86Å; F258-V457 HydrophobicContact CB-CG1 3.95Å; F258-V457 HydrophobicContact CD1-CG1 4.37Å; F258-V457 HydrophobicContact CG-CG1 4.12Å; V377-V457 HydrophobicContact CG1-CB 4.18Å; V377-V457 WeakPolarHBondContact CG2-O 3.19Å; V457-Y508 HydrophobicContact CG2-CD2 4.41Å; V457-Y508 HydrophobicContact CG2-CE2 3.63Å
458P83.2Confident68.5Low24 Ų2459.5 Ų59.516%0.15633%0.325CS..  trans-80.3158.5-178.433.1-33.1000112.1F258 L460 F463 L498 I501F258-P458 HydrophobicContact CD2-CG 4.46Å; F258-P458 HydrophobicContact CE1-CG 3.98Å; F258-P458 HydrophobicContact CE2-CG 3.7Å; F258-P458 HydrophobicContact CZ-CG 3.43Å; F258-P458 VanDerWaalsContact CZ-CG 3.43Å; P458-L460 PolarHBondContact O-N 3.35Å; P458-L460 VanDerWaalsContact O-N 3.12Å; P458-F463 HydrophobicContact CB-CE2 3.77Å; P458-F463 HydrophobicContact CB-CZ 4.42Å; P458-F463 HydrophobicContact CG-CE2 4.16Å; P458-L498 HydrophobicContact CG-CD1 4.27Å; P458-I501 HydrophobicContact CB-CG2 4.46Å; P458-I501 HydrophobicContact CG-CG2 3.91Å
459Y83.5Confident71.7Confident88 Ų8857.8 Ų57.835%0.34531%0.309SS..  trans-69.8106.8164.7178.9-118.2000110.3F294 G461 T462F294-Y459 HydrophobicContact CD1-CE2 4.43Å; F294-Y459 HydrophobicContact CD2-CD2 4.23Å; F294-Y459 HydrophobicContact CD2-CE2 4.13Å; F294-Y459 AromaticContact CE1-CE2 3.95Å; F294-Y459 HydrophobicContact CE1-CE2 3.95Å; F294-Y459 AromaticContact CE2-CD2 3.76Å; F294-Y459 HydrophobicContact CE2-CD2 3.76Å; F294-Y459 AromaticContact CE2-CE2 3.58Å; F294-Y459 HydrophobicContact CE2-CE2 3.58Å; F294-Y459 HydrophobicContact CZ-CD2 4.13Å; F294-Y459 AromaticContact CZ-CE2 3.48Å; F294-Y459 HydrophobicContact CZ-CE2 3.48Å; F294-Y459 VanDerWaalsContact CZ-CE2 3.48Å; Y459-G461 PolarHBondContact O-N 3.44Å; Y459-T462 PolarHBondContact O-N 2.96Å
460L87.3Confident75Confident8 Ų851.4 Ų51.44%0.04228%0.279CS..Hα-helixtrans-60.9-29.7-175.2-171.760.2000113L261 V287 T290 P458 T462 F463 L464 L498L261-L460 HydrophobicContact CD1-CD2 4.1Å; L261-L460 HydrophobicContact CD2-CD1 3.77Å; L261-L460 HydrophobicContact CD2-CD2 4.19Å; V287-L460 HydrophobicContact CG1-CD2 4.05Å; T290-L460 HydrophobicContact CG2-CD2 3.91Å; P458-L460 PolarHBondContact O-N 3.35Å; P458-L460 VanDerWaalsContact O-N 3.12Å; L460-T462 PolarHBondContact O-N 3.31Å; L460-T462 VanDerWaalsContact O-N 3.17Å; L460-F463 PolarHBondContact O-N 3.03Å; L460-L464 HydrophobicContact CD2-CD1 4.49Å; L460-L464 HydrophobicContact CG-CD1 4.15Å; L460-L464 HydrophobicContact CG-CG 4.18Å; L460-L464 WeakPolarHBondContact O-CG 3.33Å; L460-L464 PolarHBondContact O-N 2.86Å; L460-L464 VanDerWaalsContact O-N 3.07Å; L460-L498 HydrophobicContact CD1-CD1 4.11Å; L460-L498 HydrophobicContact CD1-CD2 4.08Å
461G83.1Confident78.3Confident13 Ų1346.2 Ų46.213%0.13425%0.246CC..Hα-helixtrans-58.6-28.7-179.800000114.4Y459 T465Y459-G461 PolarHBondContact O-N 3.44Å; G461-T465 WeakPolarHBondContact O-CB 3.5Å; G461-T465 PolarHBondContact O-N 3.1Å; G461-T465 PolarHBondContact O-OG1 3.4Å
462T81.3Confident81Confident42 Ų4245.9 Ų45.926%0.25825%0.253SS..Hα-helixtrans-64.3-47173.7-59.70000111.3Y459 L460 T465 D466Y459-T462 PolarHBondContact O-N 2.96Å; L460-T462 PolarHBondContact O-N 3.31Å; L460-T462 VanDerWaalsContact O-N 3.17Å; T462-T465 PolarHBondContact O-N 3.06Å; T462-D466 PolarHBondContact O-N 2.98Å
463F89.2Confident83.8Confident24 Ų2442.3 Ų42.311%0.10525%0.248CC..Hα-helixtrans-67-40.9179.7-64.2-95.9000111.6P458 L460 T465 D466 L467 I494 Q497 L498 I501P458-F463 HydrophobicContact CB-CE2 3.77Å; P458-F463 HydrophobicContact CB-CZ 4.42Å; P458-F463 HydrophobicContact CG-CE2 4.16Å; L460-F463 PolarHBondContact O-N 3.03Å; F463-T465 VanDerWaalsContact C-N 3.32Å; F463-T465 PolarHBondContact O-N 2.72Å; F463-D466 PolarHBondContact O-N 3.35Å; F463-L467 WeakPolarHBondContact O-CB 3.17Å; F463-L467 VanDerWaalsContact O-CG 3.28Å; F463-L467 WeakPolarHBondContact O-CG 3.45Å; F463-L467 PolarHBondContact O-N 3.26Å; F463-I494 HydrophobicContact CB-CG2 4.29Å; F463-I494 HydrophobicContact CD1-CG2 3.73Å; F463-I494 HydrophobicContact CG-CG2 4.48Å; F463-Q497 HydrophobicContact CE1-CB 4.39Å; F463-L498 HydrophobicContact CD1-CB 4.18Å; F463-L498 HydrophobicContact CD1-CD1 3.9Å; F463-L498 HydrophobicContact CD2-CD1 3.95Å; F463-L498 HydrophobicContact CE1-CB 4.28Å; F463-L498 HydrophobicContact CE1-CD1 4.03Å; F463-L498 HydrophobicContact CE2-CD1 4.11Å; F463-L498 HydrophobicContact CG-CD1 3.86Å; F463-L498 HydrophobicContact CZ-CD1 4.14Å; F463-I501 HydrophobicContact CE1-CD1 4.37Å; F463-I501 HydrophobicContact CZ-CD1 3.71Å
464L91Very high86.1Confident12 Ų1241.3 Ų41.36%0.06324%0.237CC..Hα-helixtrans-61.7-41.6175.9-63.8174.8000111.3C266 W271 V287 V291 L460 L467 T468C266-L464 HydrophobicContact CB-CD2 3.81Å; W271-L464 HydrophobicContact CD2-CD1 4.35Å; W271-L464 HydrophobicContact CD2-CD2 4.43Å; W271-L464 HydrophobicContact CG-CD2 4.18Å; W271-L464 HydrophobicContact CZ2-CD1 4.11Å; V287-L464 HydrophobicContact CG1-CD1 4.29Å; V287-L464 HydrophobicContact CG1-CD2 4.2Å; V291-L464 HydrophobicContact CG2-CD1 4.36Å; L460-L464 HydrophobicContact CD2-CD1 4.49Å; L460-L464 HydrophobicContact CG-CD1 4.15Å; L460-L464 HydrophobicContact CG-CG 4.18Å; L460-L464 WeakPolarHBondContact O-CG 3.33Å; L460-L464 PolarHBondContact O-N 2.86Å; L460-L464 VanDerWaalsContact O-N 3.07Å; L464-L467 PolarHBondContact O-N 3.09Å; L464-T468 WeakPolarHBondContact O-CB 3.44Å; L464-T468 PolarHBondContact O-N 3.19Å; L464-T468 PolarHBondContact O-OG1 3.09Å; L464-T468 VanDerWaalsContact O-OG1 3.13Å
465T89.7Confident87.9Confident81 Ų8143.1 Ų43.150%0.49725%0.253SS..Hα-helixtrans-64.1-46177.1-55.10000111.3G461 T462 F463 L467 T468 M469G461-T465 WeakPolarHBondContact O-CB 3.5Å; G461-T465 PolarHBondContact O-N 3.1Å; G461-T465 PolarHBondContact O-OG1 3.4Å; T462-T465 PolarHBondContact O-N 3.06Å; F463-T465 VanDerWaalsContact C-N 3.32Å; F463-T465 PolarHBondContact O-N 2.72Å; T465-L467 VanDerWaalsContact C-N 3.34Å; T465-L467 PolarHBondContact O-N 3.04Å; T465-T468 PolarHBondContact O-N 3.35Å; T465-M469 HydrophobicContact CG2-CE 4.21Å; T465-M469 WeakPolarHBondContact O-CG 3.45Å; T465-M469 PolarHBondContact O-N 2.96Å
466D89.1Confident89.2Confident51 Ų5145.4 Ų45.427%0.27326%0.264SS..Hα-helixtrans-61.2-42.4177.4-74.2-12.5000112T462 F463 M469 I470 I494T462-D466 PolarHBondContact O-N 2.98Å; F463-D466 PolarHBondContact O-N 3.35Å; D466-M469 PolarHBondContact O-N 3.29Å; D466-M469 WeakPolarHBondContact OD1-CE 3.39Å; D466-I470 WeakPolarHBondContact O-CG1 3.26Å; D466-I470 PolarHBondContact O-N 3.48Å; D466-I494 HydrophobicContact CB-CD1 4.39Å; D466-I494 HydrophobicContact CB-CG1 4.49Å; D466-I494 HydrophobicContact CB-CG2 4.48Å
467L94.3Very high90.2Very high1 Ų149.5 Ų49.51%0.00528%0.281CS..Hα-helixtrans-65-41.5176.5-72.3169.3000111.8C266 F463 L464 T465 I470 D471 E491 I494 I495C266-L467 HydrophobicContact CB-CD1 3.73Å; C266-L467 VanDerWaalsContact O-CD1 3.24Å; C266-L467 WeakPolarHBondContact O-CD1 3.19Å; F463-L467 WeakPolarHBondContact O-CB 3.17Å; F463-L467 VanDerWaalsContact O-CG 3.28Å; F463-L467 WeakPolarHBondContact O-CG 3.45Å; F463-L467 PolarHBondContact O-N 3.26Å; L464-L467 PolarHBondContact O-N 3.09Å; T465-L467 VanDerWaalsContact C-N 3.34Å; T465-L467 PolarHBondContact O-N 3.04Å; L467-I470 PolarHBondContact O-N 3.35Å; L467-D471 VanDerWaalsContact O-CB 3.3Å; L467-D471 WeakPolarHBondContact O-CB 3.19Å; L467-D471 PolarHBondContact O-N 2.97Å; L467-E491 HydrophobicContact CD2-CB 4.03Å; L467-E491 HydrophobicContact CD2-CG 4.24Å; L467-I494 HydrophobicContact CD1-CG2 4.49Å; L467-I494 HydrophobicContact CD2-CB 4.04Å; L467-I494 HydrophobicContact CD2-CG2 4.21Å; L467-I494 HydrophobicContact CG-CB 4.42Å; L467-I494 HydrophobicContact CG-CG2 4.03Å; L467-I495 HydrophobicContact CD1-CG1 4.48Å; L467-I495 HydrophobicContact CD2-CG1 4.49Å
468T92.8Very high91Very high55 Ų5550.3 Ų50.334%0.33729%0.286SS..Hα-helixtrans-65.1-37.2174.1-64.20000112.3L464 T465 D471 S472L464-T468 WeakPolarHBondContact O-CB 3.44Å; L464-T468 PolarHBondContact O-N 3.19Å; L464-T468 PolarHBondContact O-OG1 3.09Å; L464-T468 VanDerWaalsContact O-OG1 3.13Å; T465-T468 PolarHBondContact O-N 3.35Å; T468-D471 PolarHBondContact O-N 3.16Å; T468-S472 WeakPolarHBondContact O-CB 3.45Å; T468-S472 PolarHBondContact O-N 2.86Å; T468-S472 PolarHBondContact O-OG 3.19Å
469M92.5Very high91.5Very high105 Ų10555.9 Ų55.952%0.51732%0.322SS..Hα-helixtrans-65.3-42.1174.3-73.9-170.4-65.500111.9T465 D466 A473T465-M469 HydrophobicContact CG2-CE 4.21Å; T465-M469 WeakPolarHBondContact O-CG 3.45Å; T465-M469 PolarHBondContact O-N 2.96Å; D466-M469 PolarHBondContact O-N 3.29Å; D466-M469 WeakPolarHBondContact OD1-CE 3.39Å; M469-A473 WeakPolarHBondContact O-CB 3.4Å; M469-A473 PolarHBondContact O-N 3.08Å
470I93.8Very high91.9Very high26 Ų2657 Ų5713%0.13333%0.33CS..Hα-helixtrans-64.4-43.6175.2-68.5164.5000110.7D466 L467 S472 A473 F474 K487 R490 E491 I494D466-I470 WeakPolarHBondContact O-CG1 3.26Å; D466-I470 PolarHBondContact O-N 3.48Å; L467-I470 PolarHBondContact O-N 3.35Å; I470-S472 VanDerWaalsContact C-N 3.3Å; I470-S472 PolarHBondContact O-N 3.36Å; I470-A473 PolarHBondContact O-N 3.5Å; I470-F474 HydrophobicContact CG2-CD2 4.2Å; I470-F474 PolarHBondContact O-N 3.05Å; I470-F474 VanDerWaalsContact O-N 3.14Å; I470-K487 HydrophobicContact CG2-CG 4.45Å; I470-R490 HydrophobicContact CD1-CB 4.24Å; I470-R490 HydrophobicContact CG2-CB 3.97Å; I470-E491 HydrophobicContact CG2-CG 3.75Å; I470-I494 HydrophobicContact CD1-CG1 3.74Å
471D93.5Very high92.2Very high37 Ų3759.1 Ų59.120%0.19836%0.355CS..Hα-helixtrans-60-41.2-179.9-17245.8000112.3S268 L467 T468 F474 K487S268-D471 VanDerWaalsContact CB-CB 3.45Å; S268-D471 VanDerWaalsContact CB-CG 3.49Å; S268-D471 WeakPolarHBondContact CB-OD2 3.31Å; S268-D471 PolarHBondContact OG-OD2 3.49Å; L467-D471 VanDerWaalsContact O-CB 3.3Å; L467-D471 WeakPolarHBondContact O-CB 3.19Å; L467-D471 PolarHBondContact O-N 2.97Å; T468-D471 PolarHBondContact O-N 3.16Å; D471-F474 VanDerWaalsContact O-O 3.11Å; D471-K487 PolarHBondContact O-NZ 3.11Å; D471-K487 VanDerWaalsContact O-NZ 3.11Å; D471-K487 WeakPolarHBondContact OD1-CE 3.47Å; D471-K487 IonicContact OD1-NZ 3.63Å; D471-K487 PolarHBondContact OD1-NZ 3.09Å
472S93.5Very high92.9Very high100 Ų10059 Ų5970%0.69935%0.351SS*.Hα-helixtrans-74.8-29.2177.4-52.70000113.3T468 I470T468-S472 WeakPolarHBondContact O-CB 3.45Å; T468-S472 PolarHBondContact O-N 2.86Å; T468-S472 PolarHBondContact O-OG 3.19Å; I470-S472 VanDerWaalsContact C-N 3.3Å; I470-S472 PolarHBondContact O-N 3.36Å
473A94.9Very high93.6Very high68 Ų6857.4 Ų57.456%0.56234%0.341SS*.Hα-helixtrans-84.3-24-175.100000114.1M469 I470M469-A473 WeakPolarHBondContact O-CB 3.4Å; M469-A473 PolarHBondContact O-N 3.08Å; I470-A473 PolarHBondContact O-N 3.5Å
474F94.7Very high94Very high63 Ų6357.1 Ų57.128%0.27634%0.34SS..SBendtrans-129.2133.2-176.4-60.7-83.5000111I470 D471 K487 R490I470-F474 HydrophobicContact CG2-CD2 4.2Å; I470-F474 PolarHBondContact O-N 3.05Å; I470-F474 VanDerWaalsContact O-N 3.14Å; D471-F474 VanDerWaalsContact O-O 3.11Å; F474-K487 HydrophobicContact CB-CB 3.94Å; F474-K487 HydrophobicContact CB-CD 4.02Å; F474-K487 HydrophobicContact CB-CG 3.9Å; F474-K487 VanDerWaalsContact O-CD 3.23Å; F474-K487 WeakPolarHBondContact O-CD 3.33Å; F474-K487 VanDerWaalsContact O-CE 3.22Å; F474-K487 WeakPolarHBondContact O-CE 3.38Å; F474-K487 PolarHBondContact O-NZ 2.83Å; F474-R490 VanDerWaalsContact CE2-CD 3.49Å; F474-R490 VanDerWaalsContact CZ-CZ 3.46Å
475P95.7Very high94.2Very high83 Ų8356.6 Ų56.654%0.53934%0.338SS..  trans-73.9153.3175.731.6-35.6000111.4F477 N484P475-F477 VanDerWaalsContact C-N 3.3Å; P475-F477 PolarHBondContact O-N 3.31Å; P475-N484 VanDerWaalsContact O-CB 3.27Å; P475-N484 WeakPolarHBondContact O-CB 3.09Å; P475-N484 PolarHBondContact O-ND2 3.11Å
476D95.2Very high94.5Very high50 Ų5054.9 Ų54.927%0.26733%0.325SS..SBendtrans-68-31.8178.7-68.1-21.5000113V113 N484 K487 R488V113-D476 HydrophobicContact CG1-CB 4.41Å; D476-N484 WeakPolarHBondContact O-CB 3.22Å; D476-N484 PolarHBondContact O-N 3.4Å; D476-K487 WeakPolarHBondContact OD1-CE 3.5Å; D476-K487 IonicContact OD1-NZ 3.29Å; D476-K487 PolarHBondContact OD1-NZ 3.23Å; D476-R488 IonicContact OD1-CZ 3.87Å; D476-R488 IonicContact OD1-NH1 3.66Å; D476-R488 IonicContact OD1-NH2 3.56Å; D476-R488 PolarHBondContact OD1-NH2 2.86Å; D476-R488 IonicContact OD2-NH2 3.03Å
477F97Very high94.8Very high97 Ų9752.6 Ų52.643%0.42531%0.313SS..BIsolated β-bridgetrans-124.4146.5-179.9-56.4-85.4000109.8V113 P475 L482 I483V113-F477 HydrophobicContact CB-CZ 4.45Å; V113-F477 HydrophobicContact CG1-CZ 4.39Å; P475-F477 VanDerWaalsContact C-N 3.3Å; P475-F477 PolarHBondContact O-N 3.31Å; F477-L482 CarbonylContact C-O 3.59Å; F477-L482 VanDerWaalsContact CA-O 3.31Å; F477-L482 WeakPolarHBondContact CA-O 3.45Å; F477-I483 HydrophobicContact CD1-CG1 4.16Å; F477-I483 HydrophobicContact CE1-CG1 3.83Å
478T94.9Very high94.9Very high28 Ų2852.5 Ų52.517%0.17231%0.313CS..  trans-71.7163.5168.262.90000110.3A80 E480 G481 L482A80-T478 HydrophobicContact CB-CG2 3.52Å; T478-E480 PolarHBondContact O-N 3.11Å; T478-G481 PolarHBondContact O-N 3.35Å; T478-L482 PolarHBondContact N-O 2.83Å; T478-L482 WeakPolarHBondContact OG1-CB 3.38Å; T478-L482 PolarHBondContact OG1-N 3.25Å; T478-L482 PolarHBondContact OG1-O 3.06Å
479P93.7Very high95Very high141 Ų14151.2 Ų51.292%0.91630%0.302SS*.THydrogen-bonded Turntrans-55.7-21.7175.1-26.435.6000114.3G481P479-G481 VanDerWaalsContact C-N 3.32Å
480E92.5Very high95.1Very high111 Ų11151.8 Ų51.852%0.51930%0.298SS..THydrogen-bonded Turntrans-89.63.9-179-57169.1-149.500112.3K10 H15 T478 L482K10-E480 IonicContact NZ-OE1 2.72Å; K10-E480 PolarHBondContact NZ-OE1 3.28Å; H15-E480 VanDerWaalsContact CE1-CD 3.41Å; H15-E480 IonicContact CE1-OE1 3.58Å; H15-E480 PolarHBondContact CE1-OE1 3.13Å; H15-E480 IonicContact CE1-OE2 3.7Å; H15-E480 PolarHBondContact CE1-OE2 3.33Å; H15-E480 IonicContact NE2-OE1 3.8Å; H15-E480 IonicContact NE2-OE2 3.6Å; H15-E480 PolarHBondContact NE2-OE2 2.82Å; T478-E480 PolarHBondContact O-N 3.11Å; E480-L482 VanDerWaalsContact C-N 3.32Å; E480-L482 PolarHBondContact O-N 3.11Å
481G94Very high95.2Very high54 Ų5450.7 Ų50.756%0.55729%0.292SS*.SBendtrans82.70.1179.400000115.1T478 P479T478-G481 PolarHBondContact O-N 3.35Å; P479-G481 VanDerWaalsContact C-N 3.32Å
482L96.7Very high95.4Very high9 Ų949.8 Ų49.85%0.04729%0.286CS..  trans-75.1142.7175.2-55.9176.2000111.2A80 T82 F477 T478 E480 N484A80-L482 HydrophobicContact CB-CB 3.93Å; A80-L482 HydrophobicContact CB-CD1 4.41Å; T82-L482 HydrophobicContact CG2-CD2 3.74Å; F477-L482 CarbonylContact C-O 3.59Å; F477-L482 VanDerWaalsContact CA-O 3.31Å; F477-L482 WeakPolarHBondContact CA-O 3.45Å; T478-L482 PolarHBondContact N-O 2.83Å; T478-L482 WeakPolarHBondContact OG1-CB 3.38Å; T478-L482 PolarHBondContact OG1-N 3.25Å; T478-L482 PolarHBondContact OG1-O 3.06Å; E480-L482 VanDerWaalsContact C-N 3.32Å; E480-L482 PolarHBondContact O-N 3.11Å; L482-N484 PolarHBondContact O-N 2.94Å
483I97.5Very high95.3Very high10 Ų1047.6 Ų47.65%0.05127%0.266CS..EExtended strand (participates in β ladder)trans-62.5129.1174.4-63.5167.2000109A80 A81 L83 W86 V113 F477 V485A80-I483 CarbonylContact C-O 3.49Å; A80-I483 WeakPolarHBondContact CA-O 3.49Å; A80-I483 WeakPolarHBondContact CB-O 3.08Å; A81-I483 PolarHBondContact N-O 2.94Å; A81-I483 WeakPolarHBondContact O-CB 3.33Å; A81-I483 PolarHBondContact O-N 3.4Å; L83-I483 HydrophobicContact CB-CD1 3.92Å; L83-I483 HydrophobicContact CD1-CD1 4.18Å; W86-I483 HydrophobicContact CE3-CD1 4.45Å; W86-I483 HydrophobicContact CE3-CG2 4.25Å; W86-I483 HydrophobicContact CZ3-CG2 4.16Å; V113-I483 HydrophobicContact CB-CD1 4.46Å; V113-I483 HydrophobicContact CB-CG2 4.41Å; V113-I483 HydrophobicContact CG1-CG2 4.27Å; V113-I483 HydrophobicContact CG2-CD1 4.05Å; V113-I483 HydrophobicContact CG2-CG1 4.47Å; V113-I483 HydrophobicContact CG2-CG2 3.97Å; F477-I483 HydrophobicContact CD1-CG1 4.16Å; F477-I483 HydrophobicContact CE1-CG1 3.83Å; I483-V485 PolarHBondContact O-N 3.47Å
484N96.7Very high95.2Very high18 Ų1845.5 Ų45.510%0.09625%0.246CC..EExtended strand (participates in β ladder)trans-77.487.5177.2-173.6-5.3000111.1P475 D476 L482 D486 K487 R488P475-N484 VanDerWaalsContact O-CB 3.27Å; P475-N484 WeakPolarHBondContact O-CB 3.09Å; P475-N484 PolarHBondContact O-ND2 3.11Å; D476-N484 WeakPolarHBondContact O-CB 3.22Å; D476-N484 PolarHBondContact O-N 3.4Å; L482-N484 PolarHBondContact O-N 2.94Å; N484-D486 VanDerWaalsContact C-N 3.25Å; N484-D486 PolarHBondContact O-N 3.5Å; N484-D486 WeakPolarHBondContact OD1-CB 3.47Å; N484-D486 PolarHBondContact OD1-N 2.97Å; N484-K487 HydrophobicContact CB-CB 4.21Å; N484-K487 WeakPolarHBondContact O-CB 3.44Å; N484-K487 PolarHBondContact O-N 3.34Å; N484-K487 PolarHBondContact OD1-N 3.43Å; N484-K487 VanDerWaalsContact OD1-N 3.14Å; N484-R488 PolarHBondContact O-N 3.39Å
485V96.1Very high95.1Very high1 Ų142.5 Ų42.51%0.00623%0.232CC..Hα-helixtrans-66.3-27.9179.2-1780000111.6I78 K79 A81 W86 I483 K487 R488 R489I78-V485 HydrophobicContact CG2-CB 3.95Å; I78-V485 HydrophobicContact CG2-CG1 4.2Å; I78-V485 HydrophobicContact CG2-CG2 3.69Å; K79-V485 WeakPolarHBondContact O-CA 3.38Å; K79-V485 WeakPolarHBondContact O-CB 3.5Å; K79-V485 PolarHBondContact O-N 3.27Å; A81-V485 HydrophobicContact CB-CG2 4.47Å; W86-V485 HydrophobicContact CD2-CG2 3.96Å; W86-V485 HydrophobicContact CE3-CG2 4.45Å; W86-V485 HydrophobicContact CG-CG2 4.09Å; W86-V485 HydrophobicContact CZ2-CG1 4.28Å; I483-V485 PolarHBondContact O-N 3.47Å; V485-K487 VanDerWaalsContact C-N 3.34Å; V485-K487 PolarHBondContact O-N 3.21Å; V485-R488 PolarHBondContact O-N 3.4Å; V485-R489 WeakPolarHBondContact O-CB 3.39Å; V485-R489 PolarHBondContact O-N 3.39Å
486D94.4Very high94.9Very high44 Ų4439.1 Ų39.124%0.23521%0.213CC..Hα-helixtrans-63.6-37.4173.7-83.7-13.6000112.3K79 N484 R489 R490K79-D486 WeakPolarHBondContact CB-OD2 3.46Å; K79-D486 VanDerWaalsContact CE-OD2 3.31Å; K79-D486 WeakPolarHBondContact CE-OD2 3.4Å; K79-D486 WeakPolarHBondContact CG-OD2 3.32Å; K79-D486 PolarHBondContact O-N 3.03Å; N484-D486 VanDerWaalsContact C-N 3.25Å; N484-D486 PolarHBondContact O-N 3.5Å; N484-D486 WeakPolarHBondContact OD1-CB 3.47Å; N484-D486 PolarHBondContact OD1-N 2.97Å; D486-R489 PolarHBondContact O-N 2.95Å; D486-R490 WeakPolarHBondContact O-CG 3.21Å; D486-R490 PolarHBondContact O-N 2.8Å; D486-R490 VanDerWaalsContact O-N 3.14Å
487K95.9Very high94.6Very high3 Ų340 Ų401%0.01322%0.215CC..Hα-helixtrans-59.8-49.7170.6178.5179.3-175.2169.80110.5I470 D471 F474 D476 N484 V485 R489 R490 E491I470-K487 HydrophobicContact CG2-CG 4.45Å; D471-K487 PolarHBondContact O-NZ 3.11Å; D471-K487 VanDerWaalsContact O-NZ 3.11Å; D471-K487 WeakPolarHBondContact OD1-CE 3.47Å; D471-K487 IonicContact OD1-NZ 3.63Å; D471-K487 PolarHBondContact OD1-NZ 3.09Å; F474-K487 HydrophobicContact CB-CB 3.94Å; F474-K487 HydrophobicContact CB-CD 4.02Å; F474-K487 HydrophobicContact CB-CG 3.9Å; F474-K487 VanDerWaalsContact O-CD 3.23Å; F474-K487 WeakPolarHBondContact O-CD 3.33Å; F474-K487 VanDerWaalsContact O-CE 3.22Å; F474-K487 WeakPolarHBondContact O-CE 3.38Å; F474-K487 PolarHBondContact O-NZ 2.83Å; D476-K487 WeakPolarHBondContact OD1-CE 3.5Å; D476-K487 IonicContact OD1-NZ 3.29Å; D476-K487 PolarHBondContact OD1-NZ 3.23Å; N484-K487 HydrophobicContact CB-CB 4.21Å; N484-K487 WeakPolarHBondContact O-CB 3.44Å; N484-K487 PolarHBondContact O-N 3.34Å; N484-K487 PolarHBondContact OD1-N 3.43Å; N484-K487 VanDerWaalsContact OD1-N 3.14Å; V485-K487 VanDerWaalsContact C-N 3.34Å; V485-K487 PolarHBondContact O-N 3.21Å; K487-R489 VanDerWaalsContact C-N 3.28Å; K487-R489 PolarHBondContact O-N 3.39Å; K487-R490 WeakPolarHBondContact O-CB 3.22Å; K487-R490 PolarHBondContact O-N 3.32Å; K487-R490 VanDerWaalsContact O-N 3.09Å; K487-E491 VanDerWaalsContact CE-OE1 3.25Å; K487-E491 WeakPolarHBondContact CE-OE1 3.4Å; K487-E491 PolarHBondContact O-N 3.49Å
488R96.5Very high94.2Very high0 Ų035.4 Ų35.40%020%0.195CC..Hα-helixtrans-60.7-37.7179.7-56.1-58.2156-146.7-1.2112.4W86 L105 D476 N484 V485 E491 Y492W86-R488 HydrophobicContact CH2-CB 4.05Å; W86-R488 HydrophobicContact CH2-CG 3.8Å; W86-R488 HydrophobicContact CZ2-CB 4.24Å; W86-R488 HydrophobicContact CZ2-CG 4.42Å; W86-R488 HydrophobicContact CZ3-CG 4.44Å; L105-R488 WeakPolarHBondContact CD1-O 3.38Å; D476-R488 IonicContact OD1-CZ 3.87Å; D476-R488 IonicContact OD1-NH1 3.66Å; D476-R488 IonicContact OD1-NH2 3.56Å; D476-R488 PolarHBondContact OD1-NH2 2.86Å; D476-R488 IonicContact OD2-NH2 3.03Å; N484-R488 PolarHBondContact O-N 3.39Å; V485-R488 PolarHBondContact O-N 3.4Å; R488-E491 IonicContact CZ-OE2 3.83Å; R488-E491 VanDerWaalsContact NH1-CD 3.25Å; R488-E491 IonicContact NH1-OE1 3.09Å; R488-E491 PolarHBondContact NH1-OE1 2.97Å; R488-E491 IonicContact NH1-OE2 2.93Å; R488-E491 PolarHBondContact NH1-OE2 3.31Å; R488-E491 PolarHBondContact O-N 3.42Å; R488-Y492 VanDerWaalsContact O-CB 3.31Å; R488-Y492 WeakPolarHBondContact O-CB 3.29Å; R488-Y492 PolarHBondContact O-N 3.13Å
489R95.3Very high94Very high27 Ų2735 Ų3510%0.10219%0.191CC..Hα-helixtrans-60.8-45.1173.7-166.4-174.9-59.5-88-8.7112V77 I78 Y101 L105 V485 D486 K487 Y492 D493V77-R489 VanDerWaalsContact CG1-CZ 3.48Å; I78-R489 PolarHBondContact O-NH2 2.86Å; Y101-R489 WeakPolarHBondContact OH-CG 3.28Å; L105-R489 HydrophobicContact CD1-CB 4.4Å; V485-R489 WeakPolarHBondContact O-CB 3.39Å; V485-R489 PolarHBondContact O-N 3.39Å; D486-R489 PolarHBondContact O-N 2.95Å; K487-R489 VanDerWaalsContact C-N 3.28Å; K487-R489 PolarHBondContact O-N 3.39Å; R489-Y492 PolarHBondContact O-N 3.42Å; R489-D493 VanDerWaalsContact O-CG 3.27Å; R489-D493 PolarHBondContact O-N 3.03Å
490R95.1Very high93.6Very high118 Ų11833.5 Ų33.545%0.44517%0.174SC..Hα-helixtrans-64.9-42.8177.9-67.8169.4-171.9-91.31.6112I470 F474 D486 K487 D493I470-R490 HydrophobicContact CD1-CB 4.24Å; I470-R490 HydrophobicContact CG2-CB 3.97Å; F474-R490 VanDerWaalsContact CE2-CD 3.49Å; F474-R490 VanDerWaalsContact CZ-CZ 3.46Å; D486-R490 WeakPolarHBondContact O-CG 3.21Å; D486-R490 PolarHBondContact O-N 2.8Å; D486-R490 VanDerWaalsContact O-N 3.14Å; K487-R490 WeakPolarHBondContact O-CB 3.22Å; K487-R490 PolarHBondContact O-N 3.32Å; K487-R490 VanDerWaalsContact O-N 3.09Å; R490-D493 PolarHBondContact O-N 2.72Å
491E95.8Very high93.3Very high2 Ų229.7 Ų29.71%0.00916%0.157CC..Hα-helixtrans-61.7-45174.3-68.6174.217000111.2Q267 L467 I470 K487 R488 D493 I494 I495Q267-E491 PolarHBondContact NE2-OE2 3.41Å; L467-E491 HydrophobicContact CD2-CB 4.03Å; L467-E491 HydrophobicContact CD2-CG 4.24Å; I470-E491 HydrophobicContact CG2-CG 3.75Å; K487-E491 VanDerWaalsContact CE-OE1 3.25Å; K487-E491 WeakPolarHBondContact CE-OE1 3.4Å; K487-E491 PolarHBondContact O-N 3.49Å; R488-E491 IonicContact CZ-OE2 3.83Å; R488-E491 VanDerWaalsContact NH1-CD 3.25Å; R488-E491 IonicContact NH1-OE1 3.09Å; R488-E491 PolarHBondContact NH1-OE1 2.97Å; R488-E491 IonicContact NH1-OE2 2.93Å; R488-E491 PolarHBondContact NH1-OE2 3.31Å; R488-E491 PolarHBondContact O-N 3.42Å; E491-D493 VanDerWaalsContact C-N 3.32Å; E491-D493 PolarHBondContact O-N 2.84Å; E491-I494 PolarHBondContact O-N 3.03Å; E491-I494 VanDerWaalsContact O-N 3.14Å; E491-I495 PolarHBondContact O-N 3.18Å
492Y96.3Very high93Very high19 Ų1928.5 Ų28.58%0.07514%0.137CC..Hα-helixtrans-65.2-32.3177.5179.5-104000113.1Y101 E104 L105 E108 R488 R489 I494 I495 G496Y101-Y492 AromaticContact CD2-CE1 3.84Å; Y101-Y492 HydrophobicContact CD2-CE1 3.84Å; Y101-Y492 AromaticContact CE2-CD1 3.85Å; Y101-Y492 HydrophobicContact CE2-CD1 3.85Å; Y101-Y492 AromaticContact CE2-CE1 3.5Å; Y101-Y492 HydrophobicContact CE2-CE1 3.5Å; Y101-Y492 VanDerWaalsContact CE2-CE1 3.5Å; E104-Y492 VanDerWaalsContact C-CE2 3.48Å; E104-Y492 HydrophobicContact CB-CE2 3.8Å; E104-Y492 WeakPolarHBondContact CB-OH 3.46Å; E104-Y492 WeakPolarHBondContact O-CE2 3.46Å; E104-Y492 PolarHBondContact OE2-OH 3.08Å; L105-Y492 HydrophobicContact CB-CD1 4.02Å; L105-Y492 HydrophobicContact CB-CE1 4.35Å; L105-Y492 HydrophobicContact CB-CG 4.13Å; L105-Y492 HydrophobicContact CD1-CD1 4.04Å; L105-Y492 HydrophobicContact CD1-CG 3.76Å; E108-Y492 HydrophobicContact CB-CD2 3.84Å; E108-Y492 HydrophobicContact CB-CE2 4.16Å; E108-Y492 HydrophobicContact CG-CD2 4.1Å; E108-Y492 HydrophobicContact CG-CE2 3.9Å; R488-Y492 VanDerWaalsContact O-CB 3.31Å; R488-Y492 WeakPolarHBondContact O-CB 3.29Å; R488-Y492 PolarHBondContact O-N 3.13Å; R489-Y492 PolarHBondContact O-N 3.42Å; Y492-I494 PolarHBondContact O-N 2.76Å; Y492-I495 HydrophobicContact CD2-CG2 4.46Å; Y492-I495 PolarHBondContact O-N 3.19Å; Y492-G496 WeakPolarHBondContact O-CA 3.39Å; Y492-G496 PolarHBondContact O-N 2.79Å
493D92.4Very high92.4Very high53 Ų5333.8 Ų33.828%0.28316%0.159SC..Hα-helixtrans-62.5-30.1175.3-73.6-16.3000111.7R489 R490 E491 Q497R489-D493 VanDerWaalsContact O-CG 3.27Å; R489-D493 PolarHBondContact O-N 3.03Å; R490-D493 PolarHBondContact O-N 2.72Å; E491-D493 VanDerWaalsContact C-N 3.32Å; E491-D493 PolarHBondContact O-N 2.84Å; D493-Q497 WeakPolarHBondContact O-CG 3.17Å; D493-Q497 PolarHBondContact O-NE2 3.26Å
494I92.1Very high91.7Very high24 Ų2435 Ų3512%0.12317%0.166CC..Hα-helixtrans-78.7-47.8173.3-56.3-58.2000110.9F463 D466 L467 I470 E491 Y492 G496 Q497 L498F463-I494 HydrophobicContact CB-CG2 4.29Å; F463-I494 HydrophobicContact CD1-CG2 3.73Å; F463-I494 HydrophobicContact CG-CG2 4.48Å; D466-I494 HydrophobicContact CB-CD1 4.39Å; D466-I494 HydrophobicContact CB-CG1 4.49Å; D466-I494 HydrophobicContact CB-CG2 4.48Å; L467-I494 HydrophobicContact CD1-CG2 4.49Å; L467-I494 HydrophobicContact CD2-CB 4.04Å; L467-I494 HydrophobicContact CD2-CG2 4.21Å; L467-I494 HydrophobicContact CG-CB 4.42Å; L467-I494 HydrophobicContact CG-CG2 4.03Å; I470-I494 HydrophobicContact CD1-CG1 3.74Å; E491-I494 PolarHBondContact O-N 3.03Å; E491-I494 VanDerWaalsContact O-N 3.14Å; Y492-I494 PolarHBondContact O-N 2.76Å; I494-G496 VanDerWaalsContact C-N 3.32Å; I494-G496 PolarHBondContact O-N 3.3Å; I494-Q497 WeakPolarHBondContact O-CB 3.23Å; I494-Q497 PolarHBondContact O-N 3.39Å; I494-L498 PolarHBondContact O-N 2.94Å
495I93.7Very high90.8Very high0 Ų034.3 Ų34.30%016%0.163CC..Hα-helixtrans-60.6-40.4177.1-72.2165.7000111.6E108 T109 C263 Q267 L467 E491 Y492 Q497 L498 K499E108-I495 HydrophobicContact CB-CG2 4.18Å; E108-I495 HydrophobicContact CG-CG2 4.13Å; T109-I495 HydrophobicContact CG2-CD1 4.46Å; C263-I495 HydrophobicContact CB-CG2 3.78Å; Q267-I495 HydrophobicContact CG-CD1 3.75Å; L467-I495 HydrophobicContact CD1-CG1 4.48Å; L467-I495 HydrophobicContact CD2-CG1 4.49Å; E491-I495 PolarHBondContact O-N 3.18Å; Y492-I495 HydrophobicContact CD2-CG2 4.46Å; Y492-I495 PolarHBondContact O-N 3.19Å; I495-Q497 VanDerWaalsContact C-N 3.32Å; I495-Q497 PolarHBondContact O-N 3.08Å; I495-L498 WeakPolarHBondContact O-CA 3.45Å; I495-L498 VanDerWaalsContact O-CB 3.31Å; I495-L498 WeakPolarHBondContact O-CB 3.46Å; I495-L498 PolarHBondContact O-N 3.47Å; I495-L498 VanDerWaalsContact O-N 3.11Å; I495-K499 HydrophobicContact CG2-CD 3.94Å; I495-K499 HydrophobicContact CG2-CG 4.36Å; I495-K499 WeakPolarHBondContact O-CG 3.5Å; I495-K499 PolarHBondContact O-N 3.32Å
496G91Very high90Very high12 Ų1241.8 Ų41.812%0.12419%0.191CC..Hα-helixtrans-62.4-39.2178.400000111.9Y492 I494 I500Y492-G496 WeakPolarHBondContact O-CA 3.39Å; Y492-G496 PolarHBondContact O-N 2.79Å; I494-G496 VanDerWaalsContact C-N 3.32Å; I494-G496 PolarHBondContact O-N 3.3Å; G496-I500 VanDerWaalsContact O-CG1 3.29Å; G496-I500 WeakPolarHBondContact O-CG1 3.42Å; G496-I500 PolarHBondContact O-N 3.12Å; G496-I500 VanDerWaalsContact O-N 3.12Å
497Q88.9Confident89.4Confident69 Ų6945.5 Ų45.532%0.32220%0.203SC..Hα-helixtrans-63.7-45.4171-72.6171.464.500111.3F463 D493 I494 I495 K499 I500 I501F463-Q497 HydrophobicContact CE1-CB 4.39Å; D493-Q497 WeakPolarHBondContact O-CG 3.17Å; D493-Q497 PolarHBondContact O-NE2 3.26Å; I494-Q497 WeakPolarHBondContact O-CB 3.23Å; I494-Q497 PolarHBondContact O-N 3.39Å; I495-Q497 VanDerWaalsContact C-N 3.32Å; I495-Q497 PolarHBondContact O-N 3.08Å; Q497-K499 VanDerWaalsContact C-N 3.32Å; Q497-K499 PolarHBondContact O-N 3.22Å; Q497-I500 PolarHBondContact O-N 3.23Å; Q497-I500 VanDerWaalsContact O-N 3.15Å; Q497-I501 WeakPolarHBondContact O-CG1 3.36Å; Q497-I501 PolarHBondContact O-N 3.33Å
498L88.8Confident88.6Confident1 Ų147.7 Ų47.71%0.00521%0.211CC..Hα-helixtrans-56.8-45.8177.9-166.264.1000111.5F258 L261 C263 P458 L460 F463 I494 I495 I500 I501 Q502F258-L498 HydrophobicContact CE2-CD1 3.65Å; F258-L498 HydrophobicContact CE2-CG 4.23Å; F258-L498 HydrophobicContact CZ-CD1 3.81Å; F258-L498 HydrophobicContact CZ-CG 4.36Å; L261-L498 HydrophobicContact CD2-CD2 3.92Å; L261-L498 HydrophobicContact CD2-CG 4.42Å; C263-L498 HydrophobicContact CB-CD2 4.41Å; P458-L498 HydrophobicContact CG-CD1 4.27Å; L460-L498 HydrophobicContact CD1-CD1 4.11Å; L460-L498 HydrophobicContact CD1-CD2 4.08Å; F463-L498 HydrophobicContact CD1-CB 4.18Å; F463-L498 HydrophobicContact CD1-CD1 3.9Å; F463-L498 HydrophobicContact CD2-CD1 3.95Å; F463-L498 HydrophobicContact CE1-CB 4.28Å; F463-L498 HydrophobicContact CE1-CD1 4.03Å; F463-L498 HydrophobicContact CE2-CD1 4.11Å; F463-L498 HydrophobicContact CG-CD1 3.86Å; F463-L498 HydrophobicContact CZ-CD1 4.14Å; I494-L498 PolarHBondContact O-N 2.94Å; I495-L498 WeakPolarHBondContact O-CA 3.45Å; I495-L498 VanDerWaalsContact O-CB 3.31Å; I495-L498 WeakPolarHBondContact O-CB 3.46Å; I495-L498 PolarHBondContact O-N 3.47Å; I495-L498 VanDerWaalsContact O-N 3.11Å; L498-I500 PolarHBondContact O-N 3.43Å; L498-I501 PolarHBondContact O-N 2.96Å; L498-I501 VanDerWaalsContact O-N 3.17Å; L498-Q502 WeakPolarHBondContact O-CB 3.38Å; L498-Q502 PolarHBondContact O-N 2.93Å
499K90.2Very high87.8Confident20 Ų2059.3 Ų59.39%0.08726%0.255CS..Hα-helixtrans-64.4-34.4177.2-70.1173.375.7-178.40113.4E104 E108 C263 I495 Q497 K503E104-K499 IonicContact OE2-NZ 2.89Å; E104-K499 PolarHBondContact OE2-NZ 2.98Å; E108-K499 HydrophobicContact CG-CD 4.34Å; E108-K499 WeakPolarHBondContact OE1-CD 3.38Å; E108-K499 WeakPolarHBondContact OE1-CE 3.36Å; E108-K499 IonicContact OE1-NZ 2.96Å; E108-K499 PolarHBondContact OE1-NZ 3.16Å; C263-K499 HydrophobicContact CB-CD 4.47Å; C263-K499 HydrophobicContact CB-CG 4.09Å; C263-K499 VanDerWaalsContact SG-CG 3.52Å; I495-K499 HydrophobicContact CG2-CD 3.94Å; I495-K499 HydrophobicContact CG2-CG 4.36Å; I495-K499 WeakPolarHBondContact O-CG 3.5Å; I495-K499 PolarHBondContact O-N 3.32Å; Q497-K499 VanDerWaalsContact C-N 3.32Å; Q497-K499 PolarHBondContact O-N 3.22Å; K499-K503 WeakPolarHBondContact O-CG 3.45Å; K499-K503 PolarHBondContact O-N 3.01Å
500I86.7Confident87.3Confident108 Ų10859.2 Ų59.255%0.55426%0.256SS*.Hα-helixtrans-65.2-43.7173.8-69.4164.1000109.8G496 Q497 L498 K503 N504G496-I500 VanDerWaalsContact O-CG1 3.29Å; G496-I500 WeakPolarHBondContact O-CG1 3.42Å; G496-I500 PolarHBondContact O-N 3.12Å; G496-I500 VanDerWaalsContact O-N 3.12Å; Q497-I500 PolarHBondContact O-N 3.23Å; Q497-I500 VanDerWaalsContact O-N 3.15Å; L498-I500 PolarHBondContact O-N 3.43Å; I500-K503 PolarHBondContact O-N 3.27Å; I500-N504 PolarHBondContact O-N 2.98Å
501I84.9Confident86.9Confident31 Ų3162 Ų6216%0.15927%0.274CS..Hα-helixtrans-68.2-37.8178.5-58.2163.9000110.7F258 T456 P458 F463 Q497 L498 K503 N504 A505F258-I501 HydrophobicContact CE1-CB 4.39Å; F258-I501 HydrophobicContact CE1-CG2 3.95Å; F258-I501 HydrophobicContact CZ-CB 4.36Å; F258-I501 HydrophobicContact CZ-CG2 4.2Å; T456-I501 HydrophobicContact CG2-CG2 4.35Å; P458-I501 HydrophobicContact CB-CG2 4.46Å; P458-I501 HydrophobicContact CG-CG2 3.91Å; F463-I501 HydrophobicContact CE1-CD1 4.37Å; F463-I501 HydrophobicContact CZ-CD1 3.71Å; Q497-I501 WeakPolarHBondContact O-CG1 3.36Å; Q497-I501 PolarHBondContact O-N 3.33Å; L498-I501 PolarHBondContact O-N 2.96Å; L498-I501 VanDerWaalsContact O-N 3.17Å; I501-K503 VanDerWaalsContact C-N 3.27Å; I501-K503 PolarHBondContact O-N 3.31Å; I501-N504 WeakPolarHBondContact O-CA 3.37Å; I501-N504 VanDerWaalsContact O-CB 3.31Å; I501-N504 WeakPolarHBondContact O-CB 3.21Å; I501-N504 PolarHBondContact O-N 3.32Å; I501-A505 PolarHBondContact O-N 2.69Å; I501-A505 VanDerWaalsContact O-N 3.13Å
502Q87.5Confident86.5Confident29 Ų2963.8 Ų63.814%0.13629%0.289CS..Hα-helixtrans-58-38.7176.2-166.5178.233.800112.5F258 E259 L261 L498 N504 A505F258-Q502 VanDerWaalsContact CE1-CA 3.41Å; F258-Q502 HydrophobicContact CE1-CB 3.98Å; F258-Q502 HydrophobicContact CE1-CG 4.4Å; F258-Q502 HydrophobicContact CZ-CB 4.15Å; F258-Q502 WeakPolarHBondContact O-CG 3.21Å; F258-Q502 PolarHBondContact O-NE2 3.44Å; E259-Q502 PolarHBondContact O-NE2 3.3Å; L261-Q502 PolarHBondContact O-NE2 3.1Å; L498-Q502 WeakPolarHBondContact O-CB 3.38Å; L498-Q502 PolarHBondContact O-N 2.93Å; Q502-N504 PolarHBondContact O-N 3.04Å; Q502-A505 PolarHBondContact O-N 3.09Å
503K85.4Confident86Confident120 Ų12064.9 Ų64.952%0.52230%0.297SS..Hα-helixtrans-62.2-33.1172.3-70.3176.7-177.8179.40112.4K499 I500 I501K499-K503 WeakPolarHBondContact O-CG 3.45Å; K499-K503 PolarHBondContact O-N 3.01Å; I500-K503 PolarHBondContact O-N 3.27Å; I501-K503 VanDerWaalsContact C-N 3.27Å; I501-K503 PolarHBondContact O-N 3.31Å
504N81.1Confident85.8Confident35 Ų3566.8 Ų66.819%0.18731%0.312CS..Hα-helixtrans-72.2-34.5178.5-62-18.9000111.8G455 I500 I501 Q502 R506 Y507G455-N504 WeakPolarHBondContact CA-O 3.15Å; I500-N504 PolarHBondContact O-N 2.98Å; I501-N504 WeakPolarHBondContact O-CA 3.37Å; I501-N504 VanDerWaalsContact O-CB 3.31Å; I501-N504 WeakPolarHBondContact O-CB 3.21Å; I501-N504 PolarHBondContact O-N 3.32Å; Q502-N504 PolarHBondContact O-N 3.04Å; N504-R506 PolarHBondContact O-N 3.25Å; N504-Y507 HydrophobicContact CB-CD2 4.26Å; N504-Y507 WeakPolarHBondContact O-CB 3.15Å; N504-Y507 WeakPolarHBondContact O-CD2 3.18Å; N504-Y507 PolarHBondContact O-N 3.46Å
505A79Confident85.4Confident4 Ų473.1 Ų73.13%0.03334%0.339CS..Hα-helixtrans-55.8-28.3178.800000113.2F258 I501 Q502 Y507 Y508F258-A505 HydrophobicContact CD1-CB 3.79Å; F258-A505 HydrophobicContact CE1-CB 4.34Å; I501-A505 PolarHBondContact O-N 2.69Å; I501-A505 VanDerWaalsContact O-N 3.13Å; Q502-A505 PolarHBondContact O-N 3.09Å; A505-Y507 PolarHBondContact O-N 3.06Å; A505-Y507 VanDerWaalsContact O-N 3.13Å; A505-Y508 WeakPolarHBondContact O-CD2 3.45Å; A505-Y508 PolarHBondContact O-N 3.07Å; A505-Y508 VanDerWaalsContact O-N 3.11Å
506R79.8Confident85.1Confident159 Ų15973.2 Ų73.260%0.634%0.339SS*.THydrogen-bonded Turntrans-62.4-16.1174.2-62.4-175.3170.2168.85.3114.9E259 N504 Y508E259-R506 HydrophobicContact CG-CG 4.44Å; E259-R506 WeakPolarHBondContact OE1-CG 3.49Å; E259-R506 IonicContact OE1-CZ 2.63Å; E259-R506 IonicContact OE1-NE 3.94Å; E259-R506 PolarHBondContact OE1-NE 2.98Å; E259-R506 IonicContact OE1-NH2 2.69Å; N504-R506 PolarHBondContact O-N 3.25Å; R506-Y508 VanDerWaalsContact C-N 3.29Å
507Y80.9Confident84.7Confident122 Ų12276.5 Ų76.548%0.47835%0.348SS..THydrogen-bonded Turntrans-81-7.2176.8-61-61.3000113.1V453 N504 A505 R509V453-Y507 HydrophobicContact CB-CD2 4.16Å; V453-Y507 HydrophobicContact CB-CE2 4.11Å; V453-Y507 HydrophobicContact CG1-CD2 3.51Å; V453-Y507 HydrophobicContact CG1-CE2 3.4Å; V453-Y507 VanDerWaalsContact CG1-CE2 3.4Å; V453-Y507 HydrophobicContact CG1-CG 4.35Å; V453-Y507 WeakPolarHBondContact O-CB 3.32Å; N504-Y507 HydrophobicContact CB-CD2 4.26Å; N504-Y507 WeakPolarHBondContact O-CB 3.15Å; N504-Y507 WeakPolarHBondContact O-CD2 3.18Å; N504-Y507 PolarHBondContact O-N 3.46Å; A505-Y507 PolarHBondContact O-N 3.06Å; A505-Y507 VanDerWaalsContact O-N 3.13Å; Y507-R509 PolarHBondContact O-N 3.14Å
508Y79.2Confident84.3Confident48 Ų4875.4 Ų75.419%0.18834%0.344CS..  trans-65.9121.7169.8-74.1-62.9000110.3T251 A255 G455 T456 V457 A505 R506 I510T251-Y508 HydrophobicContact CG2-CD1 4.06Å; T251-Y508 HydrophobicContact CG2-CD2 4.43Å; T251-Y508 HydrophobicContact CG2-CE1 3.66Å; T251-Y508 HydrophobicContact CG2-CE2 4.07Å; T251-Y508 HydrophobicContact CG2-CG 4.43Å; A255-Y508 HydrophobicContact CB-CD2 3.62Å; A255-Y508 HydrophobicContact CB-CE2 4.19Å; A255-Y508 HydrophobicContact CB-CG 4.38Å; G455-Y508 VanDerWaalsContact C-CE2 3.4Å; G455-Y508 VanDerWaalsContact C-OH 3.3Å; G455-Y508 PolarHBondContact O-OH 2.91Å; G455-Y508 VanDerWaalsContact O-OH 3.06Å; T456-Y508 VanDerWaalsContact CA-OH 3.26Å; T456-Y508 WeakPolarHBondContact CA-OH 3.48Å; T456-Y508 VanDerWaalsContact N-CE2 3.32Å; T456-Y508 PolarHBondContact N-OH 2.96Å; V457-Y508 HydrophobicContact CG2-CD2 4.41Å; V457-Y508 HydrophobicContact CG2-CE2 3.63Å; A505-Y508 WeakPolarHBondContact O-CD2 3.45Å; A505-Y508 PolarHBondContact O-N 3.07Å; A505-Y508 VanDerWaalsContact O-N 3.11Å; R506-Y508 VanDerWaalsContact C-N 3.29Å; Y508-I510 HydrophobicContact CD1-CD1 4.12Å
509R80Confident84.1Confident244 Ų24476.1 Ų76.192%0.92135%0.346SS*.  trans-108.965.7174-61.8-177.6-176.21781.3109.4Y507Y507-R509 PolarHBondContact O-N 3.14Å
510I83.9Confident83.8Confident26 Ų2675.9 Ų75.913%0.13335%0.345CS..  trans-116.2123.4-180-51.1173.6000107.8E248 T251 C252 Y508E248-I510 HydrophobicContact CB-CD1 4.4Å; E248-I510 HydrophobicContact CB-CG2 4.01Å; T251-I510 HydrophobicContact CG2-CD1 4.04Å; C252-I510 HydrophobicContact CB-CB 4.08Å; C252-I510 HydrophobicContact CB-CG2 3.84Å; Y508-I510 HydrophobicContact CD1-CD1 4.12Å
511E86.5Confident83.5Confident175 Ų17576.5 Ų76.582%0.81834%0.341SS*.  trans-80128174.9-65.6-176.6173.800110Q249 D513Q249-E511 PolarHBondContact NE2-O 3.29Å; E511-D513 PolarHBondContact O-N 3.31Å
512A87.6Confident83.2Confident40 Ų4078.5 Ų78.533%0.33136%0.358SS..  trans-71.2127.6177.200000110.4P514A512-P514 WeakPolarHBondContact O-CD 3.39Å
513D87.3Confident82.8Confident43 Ų4378.3 Ų78.323%0.2336%0.357CS..  trans-97.2115.1174.6-172.4-15.2000110.5Y245 E511 K515 F516 R517Y245-D513 VanDerWaalsContact OH-CG 3.32Å; Y245-D513 PolarHBondContact OH-OD2 2.96Å; E511-D513 PolarHBondContact O-N 3.31Å; D513-K515 PolarHBondContact O-N 2.95Å; D513-K515 VanDerWaalsContact OD1-CB 3.3Å; D513-K515 WeakPolarHBondContact OD1-CB 3.38Å; D513-K515 PolarHBondContact OD1-N 3.04Å; D513-F516 HydrophobicContact CB-CB 4.12Å; D513-F516 WeakPolarHBondContact O-CB 3.35Å; D513-F516 PolarHBondContact O-N 3.21Å; D513-F516 VanDerWaalsContact O-N 3.17Å; D513-R517 PolarHBondContact O-N 3.43Å
514P87.7Confident82.3Confident93 Ų9374.1 Ų74.160%0.60434%0.342SS*.Hα-helixtrans-57.3-32.7175.3-24.434.7000113.6A512 R517 L518A512-P514 WeakPolarHBondContact O-CD 3.39Å; P514-R517 PolarHBondContact O-N 3.24Å; P514-L518 WeakPolarHBondContact O-CG 3.43Å; P514-L518 PolarHBondContact O-N 3.33Å; P514-L518 VanDerWaalsContact O-N 3.09Å
515K83.5Confident82Confident156 Ų15675.7 Ų75.768%0.67835%0.351SS*.Hα-helixtrans-66-39.7178.6-62.6179.8180178.90111.3D513 R517 L518 W519D513-K515 PolarHBondContact O-N 2.95Å; D513-K515 VanDerWaalsContact OD1-CB 3.3Å; D513-K515 WeakPolarHBondContact OD1-CB 3.38Å; D513-K515 PolarHBondContact OD1-N 3.04Å; K515-R517 VanDerWaalsContact C-N 3.34Å; K515-L518 PolarHBondContact O-N 3.42Å; K515-W519 PolarHBondContact O-N 3.21Å
516F86.7Confident81.8Confident2 Ų275.9 Ų75.91%0.00935%0.351CS..Hα-helixtrans-61.2-44.4173.8-179.9-89.3000111.3Y245 I246 Q249 L250 D513 L518 W519 F520Y245-F516 HydrophobicContact CE1-CB 4.5Å; Y245-F516 AromaticContact CE1-CD2 3.85Å; Y245-F516 HydrophobicContact CE1-CD2 3.85Å; I246-F516 HydrophobicContact CB-CE2 4.25Å; I246-F516 HydrophobicContact CG1-CE2 4.22Å; I246-F516 HydrophobicContact CG2-CE2 4.06Å; I246-F516 HydrophobicContact CG2-CZ 4.23Å; Q249-F516 HydrophobicContact CB-CB 4.13Å; Q249-F516 HydrophobicContact CB-CD1 3.35Å; Q249-F516 HydrophobicContact CB-CD2 3.64Å; Q249-F516 HydrophobicContact CB-CE1 3.54Å; Q249-F516 HydrophobicContact CB-CE2 3.81Å; Q249-F516 HydrophobicContact CB-CG 3.4Å; Q249-F516 VanDerWaalsContact CB-CG 3.4Å; Q249-F516 HydrophobicContact CB-CZ 3.77Å; Q249-F516 HydrophobicContact CG-CB 3.93Å; Q249-F516 HydrophobicContact CG-CD1 4.13Å; Q249-F516 HydrophobicContact CG-CD2 3.87Å; Q249-F516 HydrophobicContact CG-CE2 4.43Å; Q249-F516 HydrophobicContact CG-CG 3.69Å; L250-F516 HydrophobicContact CD2-CE1 3.92Å; L250-F516 HydrophobicContact CD2-CZ 3.8Å; L250-F516 HydrophobicContact CG-CE1 4.27Å; L250-F516 HydrophobicContact CG-CZ 3.83Å; D513-F516 HydrophobicContact CB-CB 4.12Å; D513-F516 WeakPolarHBondContact O-CB 3.35Å; D513-F516 PolarHBondContact O-N 3.21Å; D513-F516 VanDerWaalsContact O-N 3.17Å; F516-L518 VanDerWaalsContact C-N 3.31Å; F516-L518 PolarHBondContact O-N 3.29Å; F516-W519 AromaticContact CD2-CE3 3.83Å; F516-W519 HydrophobicContact CD2-CE3 3.83Å; F516-W519 HydrophobicContact CD2-CZ3 4.04Å; F516-W519 AromaticContact CE2-CE3 3.62Å; F516-W519 HydrophobicContact CE2-CE3 3.62Å; F516-W519 HydrophobicContact CE2-CH2 4.49Å; F516-W519 AromaticContact CE2-CZ3 3.35Å; F516-W519 HydrophobicContact CE2-CZ3 3.35Å; F516-W519 HydrophobicContact CZ-CE3 4.13Å; F516-W519 AromaticContact CZ-CZ3 3.77Å; F516-W519 HydrophobicContact CZ-CZ3 3.77Å; F516-W519 PolarHBondContact O-N 3.43Å; F516-F520 HydrophobicContact CD1-CB 4.32Å; F516-F520 HydrophobicContact CE1-CB 3.96Å; F516-F520 HydrophobicContact CE1-CG 4.31Å; F516-F520 HydrophobicContact CZ-CB 4.38Å; F516-F520 HydrophobicContact CZ-CD2 4.47Å; F516-F520 VanDerWaalsContact O-CB 3.3Å; F516-F520 WeakPolarHBondContact O-CB 3.47Å; F516-F520 PolarHBondContact O-N 3.39Å
517R84Confident81.8Confident82 Ų8271.6 Ų71.631%0.30935%0.345SS..Hα-helixtrans-60.6-41.3179.3-67.9-177.5177.1-177.1-2.9111.6E256 D513 P514 K515 R521E256-R517 IonicContact OE1-NH2 2.91Å; E256-R517 PolarHBondContact OE1-NH2 3.48Å; E256-R517 VanDerWaalsContact OE1-NH2 3.09Å; E256-R517 IonicContact OE2-NH2 2.6Å; E256-R517 PolarHBondContact OE2-NH2 2.94Å; D513-R517 PolarHBondContact O-N 3.43Å; P514-R517 PolarHBondContact O-N 3.24Å; K515-R517 VanDerWaalsContact C-N 3.34Å; R517-R521 WeakPolarHBondContact O-CB 3.23Å; R517-R521 WeakPolarHBondContact O-CG 3.29Å; R517-R521 PolarHBondContact O-N 3.41Å
518L79.2Confident81.4Confident45 Ų4571.2 Ų71.224%0.23635%0.348CS..Hα-helixtrans-64.1-48174.8-68.8173.3000111.8V223 V232 P514 K515 F516 R521 S522V223-L518 HydrophobicContact CG1-CD2 3.45Å; V223-L518 VanDerWaalsContact CG1-CD2 3.45Å; V223-L518 HydrophobicContact CG2-CD2 4.4Å; V232-L518 HydrophobicContact CG1-CB 4.47Å; P514-L518 WeakPolarHBondContact O-CG 3.43Å; P514-L518 PolarHBondContact O-N 3.33Å; P514-L518 VanDerWaalsContact O-N 3.09Å; K515-L518 PolarHBondContact O-N 3.42Å; F516-L518 VanDerWaalsContact C-N 3.31Å; F516-L518 PolarHBondContact O-N 3.29Å; L518-R521 PolarHBondContact O-N 2.96Å; L518-S522 PolarHBondContact O-N 3.1Å
519W84.8Confident81.3Confident16 Ų1676.3 Ų76.36%0.06137%0.371CS..Hα-helixtrans-58.8-49.7175.8169.178.3000112.1L236 L238 I246 K515 F516 R521 S522 L523L236-W519 HydrophobicContact CB-CD2 4Å; L236-W519 HydrophobicContact CB-CG 3.88Å; L236-W519 HydrophobicContact CB-CZ2 4.37Å; L236-W519 HydrophobicContact CD2-CD2 4.22Å; L236-W519 HydrophobicContact CD2-CE3 4.36Å; L236-W519 HydrophobicContact CD2-CZ2 4.43Å; L236-W519 PolarHBondContact O-NE1 3.48Å; L238-W519 HydrophobicContact CD1-CH2 4.11Å; L238-W519 HydrophobicContact CD1-CZ2 4.28Å; I246-W519 HydrophobicContact CD1-CH2 4.17Å; I246-W519 HydrophobicContact CG1-CH2 4.42Å; K515-W519 PolarHBondContact O-N 3.21Å; F516-W519 AromaticContact CD2-CE3 3.83Å; F516-W519 HydrophobicContact CD2-CE3 3.83Å; F516-W519 HydrophobicContact CD2-CZ3 4.04Å; F516-W519 AromaticContact CE2-CE3 3.62Å; F516-W519 HydrophobicContact CE2-CE3 3.62Å; F516-W519 HydrophobicContact CE2-CH2 4.49Å; F516-W519 AromaticContact CE2-CZ3 3.35Å; F516-W519 HydrophobicContact CE2-CZ3 3.35Å; F516-W519 HydrophobicContact CZ-CE3 4.13Å; F516-W519 AromaticContact CZ-CZ3 3.77Å; F516-W519 HydrophobicContact CZ-CZ3 3.77Å; F516-W519 PolarHBondContact O-N 3.43Å; W519-R521 VanDerWaalsContact C-N 3.29Å; W519-R521 PolarHBondContact O-N 2.88Å; W519-S522 WeakPolarHBondContact O-CA 3.41Å; W519-S522 WeakPolarHBondContact O-CB 3.47Å; W519-S522 PolarHBondContact O-N 3.42Å; W519-S522 PolarHBondContact O-OG 2.92Å; W519-L523 HydrophobicContact CH2-CD1 4.06Å; W519-L523 HydrophobicContact CZ2-CD1 4.23Å; W519-L523 HydrophobicContact CZ2-CD2 4.06Å; W519-L523 HydrophobicContact CZ2-CG 4.49Å; W519-L523 HydrophobicContact CZ3-CD1 4.28Å; W519-L523 PolarHBondContact O-N 3.1Å
520F83.6Confident81.2Confident15 Ų1565.6 Ų65.67%0.06633%0.332CS..Hα-helixtrans-60.6-39.6179.4-178.9-104.1000111.5L250 V297 R300 F516 S522 L523L250-F520 HydrophobicContact CD2-CD2 3.93Å; L250-F520 HydrophobicContact CD2-CE2 3.68Å; L250-F520 HydrophobicContact CD2-CZ 4.13Å; V297-F520 HydrophobicContact CB-CZ 4.34Å; V297-F520 HydrophobicContact CG2-CE2 4.13Å; V297-F520 HydrophobicContact CG2-CZ 3.6Å; R300-F520 HydrophobicContact CB-CE2 4.5Å; R300-F520 VanDerWaalsContact CD-CZ 3.44Å; R300-F520 WeakPolarHBondContact CD-O 3.39Å; R300-F520 PolarHBondContact NE-O 3.18Å; F516-F520 HydrophobicContact CD1-CB 4.32Å; F516-F520 HydrophobicContact CE1-CB 3.96Å; F516-F520 HydrophobicContact CE1-CG 4.31Å; F516-F520 HydrophobicContact CZ-CB 4.38Å; F516-F520 HydrophobicContact CZ-CD2 4.47Å; F516-F520 VanDerWaalsContact O-CB 3.3Å; F516-F520 WeakPolarHBondContact O-CB 3.47Å; F516-F520 PolarHBondContact O-N 3.39Å; F520-S522 VanDerWaalsContact C-N 3.31Å; F520-S522 PolarHBondContact O-N 2.65Å; F520-L523 HydrophobicContact CD2-CD1 4Å; F520-L523 WeakPolarHBondContact O-CB 3.45Å; F520-L523 PolarHBondContact O-N 2.91Å
521R81.1Confident80.9Confident122 Ų12264.6 Ų64.646%0.4633%0.327SS..Hα-helixtrans-65.9-32.3174.5-74.9172.6-176.9-173.4-2.2112.7D215 R517 L518 W519 L523D215-R521 IonicContact OD2-CZ 3.27Å; D215-R521 IonicContact OD2-NH1 3.04Å; D215-R521 PolarHBondContact OD2-NH1 2.97Å; D215-R521 IonicContact OD2-NH2 3.01Å; R517-R521 WeakPolarHBondContact O-CB 3.23Å; R517-R521 WeakPolarHBondContact O-CG 3.29Å; R517-R521 PolarHBondContact O-N 3.41Å; L518-R521 PolarHBondContact O-N 2.96Å; W519-R521 VanDerWaalsContact C-N 3.29Å; W519-R521 PolarHBondContact O-N 2.88Å; R521-L523 VanDerWaalsContact C-N 3.32Å
522S78.7Confident80.3Confident73 Ų7361.2 Ų61.251%0.5131%0.308SS..Hα-helixtrans-75.7-13.5177.476.90000114.8L518 W519 F520L518-S522 PolarHBondContact O-N 3.1Å; W519-S522 WeakPolarHBondContact O-CA 3.41Å; W519-S522 WeakPolarHBondContact O-CB 3.47Å; W519-S522 PolarHBondContact O-N 3.42Å; W519-S522 PolarHBondContact O-OG 2.92Å; F520-S522 VanDerWaalsContact C-N 3.31Å; F520-S522 PolarHBondContact O-N 2.65Å
523L78.1Confident79.9Confident25 Ų2561.5 Ų61.513%0.13130%0.304CS..SBendtrans-62.9142.6175.1-68.1176.7000110.7R300 W323 W519 F520 R521 D525R300-L523 HydrophobicContact CB-CB 4.24Å; R300-L523 HydrophobicContact CB-CD1 4.25Å; R300-L523 HydrophobicContact CG-CB 3.92Å; W323-L523 HydrophobicContact CZ2-CD1 4.38Å; W519-L523 HydrophobicContact CH2-CD1 4.06Å; W519-L523 HydrophobicContact CZ2-CD1 4.23Å; W519-L523 HydrophobicContact CZ2-CD2 4.06Å; W519-L523 HydrophobicContact CZ2-CG 4.49Å; W519-L523 HydrophobicContact CZ3-CD1 4.28Å; W519-L523 PolarHBondContact O-N 3.1Å; F520-L523 HydrophobicContact CD2-CD1 4Å; F520-L523 WeakPolarHBondContact O-CB 3.45Å; F520-L523 PolarHBondContact O-N 2.91Å; R521-L523 VanDerWaalsContact C-N 3.32Å; L523-D525 PolarHBondContact O-N 3.25Å
524P74.6Confident79.3Confident32 Ų3259.5 Ų59.521%0.20829%0.293CS..  trans-53.7132.4176.5-25.333.7000111.8S303 Y307 L526S303-P524 WeakPolarHBondContact CB-O 3.17Å; S303-P524 PolarHBondContact OG-O 2.98Å; Y307-P524 HydrophobicContact CD1-CG 3.72Å; Y307-P524 HydrophobicContact CD2-CB 3.81Å; Y307-P524 HydrophobicContact CD2-CG 3.78Å; Y307-P524 HydrophobicContact CE1-CG 4.09Å; Y307-P524 HydrophobicContact CE2-CB 4.34Å; Y307-P524 HydrophobicContact CE2-CG 4.17Å; Y307-P524 HydrophobicContact CG-CB 3.98Å; Y307-P524 HydrophobicContact CG-CG 3.55Å; P524-L526 HydrophobicContact CB-CD2 4.47Å; P524-L526 HydrophobicContact CB-CG 4.41Å
525D75.7Confident78.8Confident67 Ų6755.1 Ų55.136%0.35826%0.264SS..  trans-121.878.9175.8-165.7-0.9000109.5R299 R300 L523R299-D525 VanDerWaalsContact CB-OD1 3.23Å; R299-D525 WeakPolarHBondContact CB-OD1 3.19Å; R299-D525 WeakPolarHBondContact CD-OD1 3.13Å; R299-D525 IonicContact CZ-OD1 2.68Å; R299-D525 IonicContact CZ-OD2 3.4Å; R299-D525 IonicContact NE-OD1 3.82Å; R299-D525 PolarHBondContact NE-OD1 3.29Å; R299-D525 IonicContact NE-OD2 3.59Å; R299-D525 IonicContact NH2-OD1 2.99Å; R299-D525 IonicContact NH2-OD2 2.81Å; R299-D525 PolarHBondContact NH2-OD2 2.73Å; R300-D525 IonicContact CZ-OD2 3.74Å; R300-D525 IonicContact NH1-OD2 3.87Å; R300-D525 PolarHBondContact NH1-OD2 3.4Å; R300-D525 IonicContact NH2-OD2 2.91Å; L523-D525 PolarHBondContact O-N 3.25Å
526L75.7Confident78.4Confident9 Ų949 Ų495%0.04724%0.241CC..  trans-85.2147-174.9-53.4-177.9000111.3S303 V306 Y307 P524 L530 L534 V592S303-L526 WeakPolarHBondContact OG-CB 3.39Å; S303-L526 PolarHBondContact OG-N 3.24Å; V306-L526 HydrophobicContact CG2-CD1 3.89Å; Y307-L526 HydrophobicContact CD2-CD1 4.42Å; P524-L526 HydrophobicContact CB-CD2 4.47Å; P524-L526 HydrophobicContact CB-CG 4.41Å; L526-L530 HydrophobicContact CB-CD2 3.99Å; L526-L530 HydrophobicContact CB-CG 4.48Å; L526-L530 HydrophobicContact CD1-CD2 4.21Å; L526-L530 HydrophobicContact CD2-CD2 3.72Å; L526-L530 HydrophobicContact CG-CD2 4.16Å; L526-L534 HydrophobicContact CD1-CD1 3.73Å; L526-V592 HydrophobicContact CD2-CG1 3.81Å
527S78Confident77.8Confident68 Ų6850.4 Ų50.448%0.47625%0.251SS..  trans-63.1153.1170.873.20000111.5K529 L530 C531S527-K529 VanDerWaalsContact C-N 3.27Å; S527-K529 PolarHBondContact O-N 3.38Å; S527-L530 PolarHBondContact O-N 3.3Å; S527-L530 VanDerWaalsContact O-N 3.1Å; S527-L530 WeakPolarHBondContact OG-CB 3.2Å; S527-L530 PolarHBondContact OG-N 3.48Å; S527-C531 PolarHBondContact O-N 3.36Å
528E73.1Confident77.3Confident114 Ų11448 Ų4853%0.53324%0.244SC..Hα-helixtrans-55.9-42.5177.7-175.5175.2-176.500112.4F386 L530 C531 Y532F386-E528 HydrophobicContact CE2-CG 3.74Å; F386-E528 HydrophobicContact CZ-CG 3.57Å; E528-L530 VanDerWaalsContact C-N 3.34Å; E528-L530 PolarHBondContact O-N 2.8Å; E528-C531 PolarHBondContact O-N 3.09Å; E528-Y532 PolarHBondContact O-N 3.01Å
529K78.3Confident76.8Confident156 Ų15646.7 Ų46.768%0.67824%0.236SC*.Hα-helixtrans-58.3-46.4176.3-176.1-175.3176.2-169.20111.4S527 Y532 D533S527-K529 VanDerWaalsContact C-N 3.27Å; S527-K529 PolarHBondContact O-N 3.38Å; K529-Y532 WeakPolarHBondContact O-CB 3.46Å; K529-Y532 PolarHBondContact O-N 3.4Å; K529-D533 VanDerWaalsContact O-CG 3.27Å; K529-D533 PolarHBondContact O-N 3.22Å
530L77.7Confident76Confident19 Ų1950.8 Ų50.810%0.09926%0.263CS..Hα-helixtrans-67.8-41.5179.6-179.766000111.8L526 S527 E528 Y532 D533 L534 L588 V592L526-L530 HydrophobicContact CB-CD2 3.99Å; L526-L530 HydrophobicContact CB-CG 4.48Å; L526-L530 HydrophobicContact CD1-CD2 4.21Å; L526-L530 HydrophobicContact CD2-CD2 3.72Å; L526-L530 HydrophobicContact CG-CD2 4.16Å; S527-L530 PolarHBondContact O-N 3.3Å; S527-L530 VanDerWaalsContact O-N 3.1Å; S527-L530 WeakPolarHBondContact OG-CB 3.2Å; S527-L530 PolarHBondContact OG-N 3.48Å; E528-L530 VanDerWaalsContact C-N 3.34Å; E528-L530 PolarHBondContact O-N 2.8Å; L530-Y532 PolarHBondContact O-N 3.49Å; L530-D533 PolarHBondContact O-N 3.38Å; L530-L534 HydrophobicContact CD1-CD1 4.49Å; L530-L534 HydrophobicContact CD1-CD2 4.33Å; L530-L534 HydrophobicContact CD1-CG 4.11Å; L530-L534 HydrophobicContact CG-CD1 4.28Å; L530-L534 HydrophobicContact CG-CG 4.25Å; L530-L534 WeakPolarHBondContact O-CB 3.34Å; L530-L534 VanDerWaalsContact O-CG 3.28Å; L530-L534 WeakPolarHBondContact O-CG 3.45Å; L530-L534 PolarHBondContact O-N 3.08Å; L530-L588 HydrophobicContact CD1-CB 4.01Å; L530-L588 HydrophobicContact CD1-CD2 4.15Å; L530-L588 HydrophobicContact CD1-CG 4.48Å; L530-V592 HydrophobicContact CD1-CG2 4.35Å; L530-V592 HydrophobicContact CD2-CB 4.48Å; L530-V592 HydrophobicContact CD2-CG2 3.18Å; L530-V592 HydrophobicContact CG-CG2 4.38Å
531C76.2Confident74.9Confident4 Ų451.9 Ų51.93%0.02727%0.272CS..Hα-helixtrans-56.8-39.9173.6-74.10000111.9V302 V306 S527 E528 S535V302-C531 HydrophobicContact CG1-CB 3.93Å; V306-C531 HydrophobicContact CG2-CB 4.4Å; S527-C531 PolarHBondContact O-N 3.36Å; E528-C531 PolarHBondContact O-N 3.09Å; C531-S535 WeakPolarHBondContact O-CB 3.23Å; C531-S535 PolarHBondContact O-N 3.24Å
532Y75.8Confident73.6Confident105 Ų10553.7 Ų53.741%0.41228%0.283SS..Hα-helixtrans-63-51.4174.2-179.9-110.1000112.3F386 E528 K529 L530 L534 S535 C536F386-Y532 AromaticContact CD1-CD2 3.76Å; F386-Y532 HydrophobicContact CD1-CD2 3.76Å; F386-Y532 HydrophobicContact CD1-CG 4.33Å; F386-Y532 AromaticContact CE1-CD2 3.47Å; F386-Y532 HydrophobicContact CE1-CD2 3.47Å; F386-Y532 VanDerWaalsContact CE1-CD2 3.47Å; F386-Y532 AromaticContact CE1-CG 3.85Å; F386-Y532 HydrophobicContact CE1-CG 3.85Å; E528-Y532 PolarHBondContact O-N 3.01Å; K529-Y532 WeakPolarHBondContact O-CB 3.46Å; K529-Y532 PolarHBondContact O-N 3.4Å; L530-Y532 PolarHBondContact O-N 3.49Å; Y532-L534 VanDerWaalsContact C-N 3.33Å; Y532-L534 PolarHBondContact O-N 2.86Å; Y532-S535 WeakPolarHBondContact O-CB 3.21Å; Y532-S535 PolarHBondContact O-N 3.21Å; Y532-S535 VanDerWaalsContact O-N 3.16Å; Y532-C536 VanDerWaalsContact CZ-SG 3.58Å; Y532-C536 PolarHBondContact O-N 2.93Å; Y532-C536 PolarHBondContact O-SG 3.2Å
533D77.9Confident72.2Confident46 Ų4658.3 Ų58.325%0.24630%0.296CS..Hα-helixtrans-60.2-45.7-178-66.4-23.5000110.5K529 L530 S535 C536 C537 L588K529-D533 VanDerWaalsContact O-CG 3.27Å; K529-D533 PolarHBondContact O-N 3.22Å; L530-D533 PolarHBondContact O-N 3.38Å; D533-S535 PolarHBondContact O-N 3.07Å; D533-C536 PolarHBondContact O-N 3.09Å; D533-C537 PolarHBondContact O-N 3.4Å; D533-C537 VanDerWaalsContact O-N 3.13Å; D533-C537 PolarHBondContact O-SG 2.88Å; D533-L588 HydrophobicContact CB-CD1 3.94Å
534L75.6Confident70.7Confident1 Ų160 Ų601%0.00531%0.314CS..Hα-helixtrans-63.1-41.2175.6-65.6-170.7000112.2V306 I309 L526 L530 Y532 C536 C537 I538 L588V306-L534 HydrophobicContact CB-CB 4.18Å; V306-L534 HydrophobicContact CG2-CB 4.45Å; V306-L534 HydrophobicContact CG2-CD1 4.21Å; I309-L534 HydrophobicContact CD1-CD1 4.23Å; I309-L534 HydrophobicContact CD1-CD2 3.39Å; I309-L534 HydrophobicContact CD1-CG 4.24Å; I309-L534 HydrophobicContact CG1-CD2 4.37Å; L526-L534 HydrophobicContact CD1-CD1 3.73Å; L530-L534 HydrophobicContact CD1-CD1 4.49Å; L530-L534 HydrophobicContact CD1-CD2 4.33Å; L530-L534 HydrophobicContact CD1-CG 4.11Å; L530-L534 HydrophobicContact CG-CD1 4.28Å; L530-L534 HydrophobicContact CG-CG 4.25Å; L530-L534 WeakPolarHBondContact O-CB 3.34Å; L530-L534 VanDerWaalsContact O-CG 3.28Å; L530-L534 WeakPolarHBondContact O-CG 3.45Å; L530-L534 PolarHBondContact O-N 3.08Å; Y532-L534 VanDerWaalsContact C-N 3.33Å; Y532-L534 PolarHBondContact O-N 2.86Å; L534-C536 VanDerWaalsContact C-N 3.34Å; L534-C536 PolarHBondContact O-N 2.94Å; L534-C537 PolarHBondContact O-N 3.31Å; L534-I538 WeakPolarHBondContact O-CD1 3.35Å; L534-I538 VanDerWaalsContact O-CG1 3.25Å; L534-I538 WeakPolarHBondContact O-CG1 3.35Å; L534-I538 PolarHBondContact O-N 3.32Å; L534-I538 VanDerWaalsContact O-N 3.11Å; L534-L588 HydrophobicContact CD2-CB 4.11Å; L534-L588 HydrophobicContact CD2-CD1 4.16Å
535S75.8Confident69.2Low0 Ų062.6 Ų62.60%033%0.333CS..Hα-helixtrans-60.8-43.3176.7-179.60000111.8F386 C531 Y532 D533 C537 I538 E539F386-S535 PolarHBondContact O-OG 3.21Å; C531-S535 WeakPolarHBondContact O-CB 3.23Å; C531-S535 PolarHBondContact O-N 3.24Å; Y532-S535 WeakPolarHBondContact O-CB 3.21Å; Y532-S535 PolarHBondContact O-N 3.21Å; Y532-S535 VanDerWaalsContact O-N 3.16Å; D533-S535 PolarHBondContact O-N 3.07Å; S535-C537 VanDerWaalsContact C-N 3.3Å; S535-C537 PolarHBondContact O-N 3.21Å; S535-I538 PolarHBondContact O-N 3.17Å; S535-E539 PolarHBondContact O-N 3.1Å
536C76.1Confident67.6Low28 Ų2866.1 Ų66.119%0.18935%0.351CS..Hα-helixtrans-65.2-33178-66.30000112.7Y532 D533 L534Y532-C536 VanDerWaalsContact CZ-SG 3.58Å; Y532-C536 PolarHBondContact O-N 2.93Å; Y532-C536 PolarHBondContact O-SG 3.2Å; D533-C536 PolarHBondContact O-N 3.09Å; L534-C536 VanDerWaalsContact C-N 3.34Å; L534-C536 PolarHBondContact O-N 2.94Å
537C74.3Confident65.8Low32 Ų3272.8 Ų72.822%0.21639%0.386CS..Hα-helixtrans-73.9-30.7176.2-64.90000113.2D533 L534 S535 C585D533-C537 PolarHBondContact O-N 3.4Å; D533-C537 VanDerWaalsContact O-N 3.13Å; D533-C537 PolarHBondContact O-SG 2.88Å; L534-C537 PolarHBondContact O-N 3.31Å; S535-C537 VanDerWaalsContact C-N 3.3Å; S535-C537 PolarHBondContact O-N 3.21Å; C537-C585 WeakPolarHBondContact CB-SG 3.5Å; C537-C585 VanDerWaalsContact SG-SG 3.62Å
538I72.8Confident63.8Low31 Ų3174.6 Ų74.616%0.15940%0.399CS..Hα-helixtrans-79.3-44.3179.9-63160.8000111.6V306 I309 F390 L534 S535V306-I538 HydrophobicContact CB-CD1 4.46Å; I309-I538 HydrophobicContact CB-CG1 4.39Å; I309-I538 HydrophobicContact CG1-CD1 4.31Å; I309-I538 HydrophobicContact CG1-CG1 4.45Å; I309-I538 HydrophobicContact CG2-CG1 3.95Å; F390-I538 HydrophobicContact CD1-CG2 4.18Å; F390-I538 HydrophobicContact CE1-CB 3.7Å; F390-I538 HydrophobicContact CE1-CD1 3.98Å; F390-I538 HydrophobicContact CE1-CG1 4.47Å; F390-I538 HydrophobicContact CE1-CG2 3.49Å; F390-I538 VanDerWaalsContact CE1-CG2 3.49Å; F390-I538 HydrophobicContact CZ-CB 4.39Å; F390-I538 HydrophobicContact CZ-CD1 3.92Å; F390-I538 HydrophobicContact CZ-CG2 4.48Å; L534-I538 WeakPolarHBondContact O-CD1 3.35Å; L534-I538 VanDerWaalsContact O-CG1 3.25Å; L534-I538 WeakPolarHBondContact O-CG1 3.35Å; L534-I538 PolarHBondContact O-N 3.32Å; L534-I538 VanDerWaalsContact O-N 3.11Å; S535-I538 PolarHBondContact O-N 3.17Å
539E69.5Low62Low18 Ų1874.2 Ų74.28%0.08442%0.416CS..SBendtrans-132103.6175.3-70.8-170.8-14300109.8F390 K391 N392 T393 S535F390-E539 VanDerWaalsContact CA-OE1 3.29Å; F390-E539 WeakPolarHBondContact CA-OE1 3.34Å; F390-E539 VanDerWaalsContact CA-OE2 3.23Å; F390-E539 WeakPolarHBondContact CA-OE2 3.48Å; F390-E539 HydrophobicContact CD1-CB 4.31Å; F390-E539 HydrophobicContact CD1-CG 3.9Å; F390-E539 WeakPolarHBondContact CD1-OE1 3.38Å; F390-E539 HydrophobicContact CE1-CG 4.47Å; K391-E539 PolarHBondContact N-OE2 3.36Å; N392-E539 WeakPolarHBondContact CB-OE1 3.23Å; N392-E539 PolarHBondContact N-OE1 3.19Å; N392-E539 PolarHBondContact N-OE2 3.35Å; T393-E539 PolarHBondContact N-OE1 2.88Å; T393-E539 PolarHBondContact OG1-OE1 3.47Å; S535-E539 PolarHBondContact O-N 3.1Å
540V66.7Low59.6Low102 Ų10269.4 Ų69.462%0.61841%0.41SS*.  trans-66.5132-177.4-177.70000110.8K542 A544V540-K542 PolarHBondContact O-N 2.75Å; V540-A544 HydrophobicContact CG1-CB 4.02Å
541P61.3Low57.5Low38 Ų3878 Ų7825%0.24745%0.447CS..  trans-57135.5174-2433.1000112.2F389 E543 A544F389-P541 HydrophobicContact CD1-CB 4.5Å; F389-P541 HydrophobicContact CD1-CG 4.12Å; F389-P541 HydrophobicContact CE1-CB 3.79Å; F389-P541 HydrophobicContact CE1-CG 3.58Å; F389-P541 HydrophobicContact CZ-CG 4.33Å; P541-E543 PolarHBondContact O-N 2.96Å; P541-A544 PolarHBondContact O-N 2.87Å
542K54.8Low55.3Low159 Ų15985.9 Ų85.969%0.69148%0.483SS*.G310 helixtrans-57.6-23.9-177.6-69.7-169.6175.6-167.60114.1V540 S545V540-K542 PolarHBondContact O-N 2.75Å; K542-S545 PolarHBondContact O-OG 3.43Å
543E49.2Very low52.8Low170 Ų17088 Ų8879%0.79451%0.506SS*.G310 helixtrans-74.4-22.3179.6-66.4179.9-178.900113.5P541 S545P541-E543 PolarHBondContact O-N 2.96Å; E543-S545 PolarHBondContact O-N 3.23Å
544A46Very low50.7Low60 Ų6089.8 Ų89.850%0.49652%0.523SS..G310 helixtrans-76.2-10.3178.100000113.8V540 P541V540-A544 HydrophobicContact CG1-CB 4.02Å; P541-A544 PolarHBondContact O-N 2.87Å
545S43.3Very low48.4Very low87 Ų8797.8 Ų97.861%0.60856%0.56SS**G310 helixtrans-86.8-5.3-176.465.80000114.7K542 E543K542-S545 PolarHBondContact O-OG 3.43Å; E543-S545 PolarHBondContact O-N 3.23Å
546L41.6Very low46.2Very low142 Ų142108 Ų10874%0.74361%0.605SS**SBendtrans-112-9.9-173.5-73.6162.8000115.1
547D37.9Very low43.8Very low148 Ų148116.2 Ų116.279%0.79163%0.633SS**SBendtrans-1094.3-172.6-71.3-21.2000115.8
548S36.8Very low41.8Very low106 Ų106124.9 Ų124.974%0.74167%0.668SS**  trans-103.29.4-177.154.50000115.6G550S548-G550 PolarHBondContact O-N 3.31Å
549A33.9Very low39.5Very low107 Ų107128.5 Ų128.588%0.88469%0.688SS**SBendtrans-86.75.218000000115.1
550G29Very low37.8Very low54 Ų54137 Ų13756%0.55773%0.727SS**SBendtrans-173.596.417600000113.4S548S548-G550 PolarHBondContact O-N 3.31Å
551K32.4Very low36.1Very low200 Ų200139.8 Ų139.887%0.8773%0.733SS**  trans166.1132.1138-91.5156.7-172.6-179.80111.4
552H30.5Very low34.8Very low170 Ų170144.1 Ų144.179%0.78776%0.763SS**  trans75.984.4159.7-80.2-84.5000119.7S554H552-S554 PolarHBondContact O-N 3.43Å
553T24.2Very low33.7Very low148 Ų148143.8 Ų143.891%0.90877%0.769SS**  trans-52.2114.9135-30.30000109.9
554S32.2Very low33.1Very low84 Ų84140.9 Ų140.959%0.58777%0.767SS**  trans-155.8102.7154.867.20000110.7H552H552-S554 PolarHBondContact O-N 3.43Å
555Q27.7Very low32.5Very low169 Ų169145 Ų14579%0.7979%0.786SS**  trans32112.6138.4-73.3159.7-40.400118.7
556F29.9Very low32Very low215 Ų215144.2 Ų144.294%0.94379%0.792SS**  trans-138.5114.9132.9-86.9-78.9000108.8
557Y26Very low31.7Very low200 Ų200141.4 Ų141.478%0.78479%0.789SS**  trans-78.7132.7175-124.3-100.6000108.6
558F31.9Very low31.5Very low215 Ų215140 Ų14094%0.94379%0.788SS**  trans-135.9122148.4-114.5-87.1000107.4
559D25.4Very low31.5Very low107 Ų107145.2 Ų145.257%0.57279%0.793SS**  trans-86.1128.2-173.8-1708000108.8H561D559-H561 IonicContact OD1-ND1 3.37Å
560E33.5Very low31.3Very low195 Ų195145.9 Ų145.991%0.91179%0.791SS**  trans-157.4121.4151.4-119177.5-177.400110.6
561H30.3Very low31.7Very low162 Ų162149.1 Ų149.175%0.7580%0.802SS**  trans-65.3136.9-179.5-79.937.8000112.9D559D559-H561 IonicContact OD1-ND1 3.37Å
562C34.1Very low31.6Very low129 Ų129144.4 Ų144.487%0.87279%0.794SS**  trans-157.9118.9137.8-148.40000110.9
563D31.6Very low31.8Very low151 Ų151145.6 Ų145.681%0.80780%0.797SS**  trans-66.7134.9172.5-70.1-51.4000111.7
564S37Very low32.2Very low110 Ų110143 Ų14377%0.76979%0.785SS**  156.8105.5127.7-1720000112.7
565V33.9Very low32Very low146 Ų146141 Ų14189%0.88578%0.778SS**  trans39110.4135.1-164.10000119.2
566G33.2Very low32.3Very low71 Ų71137 Ų13773%0.73277%0.765SS**  trans158.575.3154.200000119
567A35.3Very low32.3Very low82 Ų82133.2 Ų133.268%0.67875%0.754SS**  trans59139.6152.800000121.9
568P33.8Very low32.9Very low120 Ų120128.1 Ų128.178%0.77974%0.744SS**  trans-96.2133.5-167.236.5-30.1000113.8
569Y34.9Very low33.3Very low214 Ų214120.4 Ų120.484%0.83972%0.717SS**  trans-123.4118158.3-50.2-81.8000108.1P571Y569-P571 WeakPolarHBondContact O-CD 3.4Å
570S30.7Very low34Very low121 Ų121122 Ų12285%0.84672%0.719SS**  trans-69.2124.1-179.2-66.50000111.5
571P37.8Very low34.4Very low122 Ų122114.6 Ų114.679%0.79269%0.691SS**  trans-96.3125.7165.723.4-7.9000110.6Y569Y569-P571 WeakPolarHBondContact O-CD 3.4Å
572S29.8Very low35.4Very low101 Ų101108.7 Ų108.771%0.70667%0.67SS**  trans-45.2133.8174.6-550000113.3S574 G575S572-S574 PolarHBondContact O-N 3.25Å; S572-G575 PolarHBondContact O-N 3.05Å
573K33.9Very low36.5Very low196 Ų196106.3 Ų106.385%0.85265%0.648SS**THydrogen-bonded Turntrans-55-2.5-179.9-68.1-178.8176.5179.60116.1
574S32.8Very low37.8Very low93 Ų93107 Ų10765%0.6564%0.639SS**Hα-helixtrans-79.9-23.4176.6-173.20000113.9S572S572-S574 PolarHBondContact O-N 3.25Å
575G29.4Very low38.7Very low43 Ų43101.9 Ų101.944%0.44360%0.604SS.*Hα-helixtrans-79.3-22.7-175.900000114.7S572 T578 S579S572-G575 PolarHBondContact O-N 3.05Å; G575-T578 PolarHBondContact O-OG1 3.43Å; G575-S579 PolarHBondContact O-N 3.21Å
576V33.2Very low39.9Very low84 Ų8498.3 Ų98.351%0.50958%0.58SS.*Hα-helixtrans-75.5-38.2-175.7-179.20000111.1T578 S579 F580V576-T578 VanDerWaalsContact C-N 3.33Å; V576-T578 PolarHBondContact O-N 2.96Å; V576-S579 PolarHBondContact O-N 3.2Å; V576-S579 PolarHBondContact O-OG 3.39Å; V576-F580 HydrophobicContact CG1-CD2 3.84Å; V576-F580 HydrophobicContact CG1-CE2 3.52Å; V576-F580 WeakPolarHBondContact O-CD2 3.49Å; V576-F580 PolarHBondContact O-N 2.8Å
577L30.5Very low41.2Very low136 Ų136101 Ų10171%0.71257%0.573SS**Hα-helixtrans-68.4-31.6178.1-74168.7000112.8A581L577-A581 PolarHBondContact O-N 2.68Å
578T37.3Very low42.3Very low93 Ų9399.1 Ų99.157%0.57155%0.552SS**Hα-helixtrans-72.4-32.6177.146.50000112.8G575 V576 A582G575-T578 PolarHBondContact O-OG1 3.43Å; V576-T578 VanDerWaalsContact C-N 3.33Å; V576-T578 PolarHBondContact O-N 2.96Å; T578-A582 WeakPolarHBondContact O-CB 3.34Å; T578-A582 PolarHBondContact O-N 3.41Å
579S39.9Very low43.5Very low53 Ų5393.8 Ų93.837%0.37152%0.516SS..Hα-helixtrans-72.5-42.8176.968.80000111.6G575 V576 A581 A582 D583G575-S579 PolarHBondContact O-N 3.21Å; V576-S579 PolarHBondContact O-N 3.2Å; V576-S579 PolarHBondContact O-OG 3.39Å; S579-A581 VanDerWaalsContact C-N 3.35Å; S579-A581 PolarHBondContact O-N 3.02Å; S579-A582 PolarHBondContact O-N 3.11Å; S579-D583 WeakPolarHBondContact O-CB 3.37Å; S579-D583 VanDerWaalsContact O-CG 3.27Å; S579-D583 PolarHBondContact O-N 3.13Å
580F40.8Very low44.6Very low141 Ų14186 Ų8662%0.61849%0.494SS*.Hα-helixtrans-61.8-39.5177.9-81.7-70.5000113.3V576 R584V576-F580 HydrophobicContact CG1-CD2 3.84Å; V576-F580 HydrophobicContact CG1-CE2 3.52Å; V576-F580 WeakPolarHBondContact O-CD2 3.49Å; V576-F580 PolarHBondContact O-N 2.8Å; F580-R584 WeakPolarHBondContact O-CB 3.22Å; F580-R584 PolarHBondContact O-N 2.81Å
581A43.2Very low45.4Very low39 Ų3982.6 Ų82.632%0.32247%0.473SS..Hα-helixtrans-67.8-42.9175.800000111.7L577 S579 R584 C585L577-A581 PolarHBondContact O-N 2.68Å; S579-A581 VanDerWaalsContact C-N 3.35Å; S579-A581 PolarHBondContact O-N 3.02Å; A581-R584 PolarHBondContact O-N 3.49Å; A581-C585 WeakPolarHBondContact O-CB 3.48Å; A581-C585 PolarHBondContact O-N 2.83Å; A581-C585 PolarHBondContact O-SG 2.89Å; A581-C585 VanDerWaalsContact O-SG 3.34Å
582A50.7Low46Very low37 Ų3778.1 Ų78.131%0.30644%0.443SS..Hα-helixtrans-64.9-40.5176.400000112.3T578 S579 C585 N586T578-A582 WeakPolarHBondContact O-CB 3.34Å; T578-A582 PolarHBondContact O-N 3.41Å; S579-A582 PolarHBondContact O-N 3.11Å; A582-C585 WeakPolarHBondContact O-CB 3.29Å; A582-C585 PolarHBondContact O-N 3.26Å; A582-N586 WeakPolarHBondContact O-CB 3.44Å; A582-N586 VanDerWaalsContact O-CG 3.26Å; A582-N586 PolarHBondContact O-N 3.02Å; A582-N586 PolarHBondContact O-ND2 3.27Å
583D56.3Low47Very low80 Ų8079.8 Ų79.843%0.42843%0.434SS..Hα-helixtrans-66.1-43.6176.6-73.9-23.3000111.3S579 C585 N586 Q587S579-D583 WeakPolarHBondContact O-CB 3.37Å; S579-D583 VanDerWaalsContact O-CG 3.27Å; S579-D583 PolarHBondContact O-N 3.13Å; D583-C585 VanDerWaalsContact C-N 3.34Å; D583-C585 PolarHBondContact O-N 2.91Å; D583-N586 PolarHBondContact O-N 3.5Å; D583-Q587 WeakPolarHBondContact O-CB 3.48Å; D583-Q587 WeakPolarHBondContact O-CG 3.45Å; D583-Q587 PolarHBondContact O-N 2.67Å
584R58.5Low47.3Very low164 Ų16475.6 Ų75.662%0.61942%0.42SS*.Hα-helixtrans-62.3-41.5174-175.3179.9-103.4-144.8-1.5111.5F580 A581 Q587 L588F580-R584 WeakPolarHBondContact O-CB 3.22Å; F580-R584 PolarHBondContact O-N 2.81Å; A581-R584 PolarHBondContact O-N 3.49Å; R584-Q587 PolarHBondContact O-N 3.49Å; R584-L588 HydrophobicContact CG-CD1 4.22Å; R584-L588 WeakPolarHBondContact O-CB 3.31Å; R584-L588 VanDerWaalsContact O-CG 3.25Å; R584-L588 WeakPolarHBondContact O-CG 3.36Å; R584-L588 PolarHBondContact O-N 2.89Å
585C56.9Low47.5Very low3 Ų380.5 Ų80.52%0.0242%0.424CS..Hα-helixtrans-60.1-46.6173.3-80.80000112.8I309 C537 A581 A582 D583 Q587 L588 L589I309-C585 HydrophobicContact CD1-CB 3.71Å; I309-C585 HydrophobicContact CG2-CB 4.07Å; C537-C585 WeakPolarHBondContact CB-SG 3.5Å; C537-C585 VanDerWaalsContact SG-SG 3.62Å; A581-C585 WeakPolarHBondContact O-CB 3.48Å; A581-C585 PolarHBondContact O-N 2.83Å; A581-C585 PolarHBondContact O-SG 2.89Å; A581-C585 VanDerWaalsContact O-SG 3.34Å; A582-C585 WeakPolarHBondContact O-CB 3.29Å; A582-C585 PolarHBondContact O-N 3.26Å; D583-C585 VanDerWaalsContact C-N 3.34Å; D583-C585 PolarHBondContact O-N 2.91Å; C585-Q587 VanDerWaalsContact C-N 3.33Å; C585-L588 PolarHBondContact O-N 2.71Å; C585-L589 WeakPolarHBondContact O-CB 3.28Å; C585-L589 PolarHBondContact O-N 2.96Å
586N59.6Low47.9Very low71 Ų7184.2 Ų84.238%0.3843%0.434SS..Hα-helixtrans-66.6-36.1179.2-74-31.3000111.3H310 A582 D583 S590H310-N586 PolarHBondContact CE1-OD1 2.67Å; H310-N586 PolarHBondContact NE2-OD1 2.74Å; A582-N586 WeakPolarHBondContact O-CB 3.44Å; A582-N586 VanDerWaalsContact O-CG 3.26Å; A582-N586 PolarHBondContact O-N 3.02Å; A582-N586 PolarHBondContact O-ND2 3.27Å; D583-N586 PolarHBondContact O-N 3.5Å; N586-S590 WeakPolarHBondContact O-CB 3.31Å; N586-S590 PolarHBondContact O-N 2.96Å; N586-S590 PolarHBondContact O-OG 3.46Å; N586-S590 VanDerWaalsContact O-OG 3.05Å
587Q60.4Low47.8Very low127 Ų12789.1 Ų89.159%0.59344%0.443SS*.Hα-helixtrans-64.8-41.9171.9-73169.626.800112.1D583 R584 C585 S590 A591D583-Q587 WeakPolarHBondContact O-CB 3.48Å; D583-Q587 WeakPolarHBondContact O-CG 3.45Å; D583-Q587 PolarHBondContact O-N 2.67Å; R584-Q587 PolarHBondContact O-N 3.49Å; C585-Q587 VanDerWaalsContact C-N 3.33Å; Q587-S590 WeakPolarHBondContact CA-OG 3.35Å; Q587-S590 PolarHBondContact O-OG 3.46Å; Q587-A591 VanDerWaalsContact O-CB 3.31Å; Q587-A591 WeakPolarHBondContact O-CB 3.23Å; Q587-A591 PolarHBondContact O-N 2.58Å
588L57.4Low47.8Very low43 Ų4387.2 Ų87.223%0.22544%0.442CS..Hα-helixtrans-67.1-44.4177.1-73.2171.1000111.7L530 D533 L534 R584 C585 V592L530-L588 HydrophobicContact CD1-CB 4.01Å; L530-L588 HydrophobicContact CD1-CD2 4.15Å; L530-L588 HydrophobicContact CD1-CG 4.48Å; D533-L588 HydrophobicContact CB-CD1 3.94Å; L534-L588 HydrophobicContact CD2-CB 4.11Å; L534-L588 HydrophobicContact CD2-CD1 4.16Å; R584-L588 HydrophobicContact CG-CD1 4.22Å; R584-L588 WeakPolarHBondContact O-CB 3.31Å; R584-L588 VanDerWaalsContact O-CG 3.25Å; R584-L588 WeakPolarHBondContact O-CG 3.36Å; R584-L588 PolarHBondContact O-N 2.89Å; C585-L588 PolarHBondContact O-N 2.71Å; L588-V592 WeakPolarHBondContact O-CG2 3.35Å; L588-V592 PolarHBondContact O-N 3.2Å
589L59.6Low47.5Very low8 Ų887.9 Ų87.94%0.04245%0.445CS..Hα-helixtrans-69-37175.8-84.3168.3000112.6Y307 I309 C585 V592 R593Y307-L589 HydrophobicContact CD2-CD2 3.74Å; Y307-L589 HydrophobicContact CE2-CD2 3.61Å; I309-L589 HydrophobicContact CD1-CD1 3.34Å; I309-L589 HydrophobicContact CD1-CG 3.86Å; I309-L589 HydrophobicContact CG1-CD1 4.03Å; C585-L589 WeakPolarHBondContact O-CB 3.28Å; C585-L589 PolarHBondContact O-N 2.96Å; L589-V592 PolarHBondContact O-N 3.2Å; L589-R593 WeakPolarHBondContact O-CB 3.43Å; L589-R593 WeakPolarHBondContact O-CG 3.38Å; L589-R593 PolarHBondContact O-N 2.85Å
590S57.2Low46.9Very low52 Ų5288.9 Ų88.936%0.36444%0.443SS..Hα-helixtrans-68.2-39.2176.869.50000110.7N586 Q587 V592 R593 L594N586-S590 WeakPolarHBondContact O-CB 3.31Å; N586-S590 PolarHBondContact O-N 2.96Å; N586-S590 PolarHBondContact O-OG 3.46Å; N586-S590 VanDerWaalsContact O-OG 3.05Å; Q587-S590 WeakPolarHBondContact CA-OG 3.35Å; Q587-S590 PolarHBondContact O-OG 3.46Å; S590-V592 PolarHBondContact O-N 3.42Å; S590-R593 PolarHBondContact O-N 3.47Å; S590-L594 WeakPolarHBondContact O-CB 3.48Å; S590-L594 WeakPolarHBondContact O-CG 3.48Å; S590-L594 PolarHBondContact O-N 3.15Å
591A48.5Very low46.2Very low49 Ų4992 Ų9241%0.40545%0.452SS..Hα-helixtrans-60.4-33.8172.600000112.5Q587 R595Q587-A591 VanDerWaalsContact O-CB 3.31Å; Q587-A591 WeakPolarHBondContact O-CB 3.23Å; Q587-A591 PolarHBondContact O-N 2.58Å; A591-R595 WeakPolarHBondContact O-CG 3.25Å; A591-R595 PolarHBondContact O-N 3.07Å; A591-R595 VanDerWaalsContact O-N 3.14Å
592V49.7Very low45.3Very low28 Ų2899.1 Ų99.117%0.1748%0.479CS..Hα-helixtrans-74.7-48.2176.3175.40000111.2L526 L530 L588 L589 S590 L594 R595 D596L526-V592 HydrophobicContact CD2-CG1 3.81Å; L530-V592 HydrophobicContact CD1-CG2 4.35Å; L530-V592 HydrophobicContact CD2-CB 4.48Å; L530-V592 HydrophobicContact CD2-CG2 3.18Å; L530-V592 HydrophobicContact CG-CG2 4.38Å; L588-V592 WeakPolarHBondContact O-CG2 3.35Å; L588-V592 PolarHBondContact O-N 3.2Å; L589-V592 PolarHBondContact O-N 3.2Å; S590-V592 PolarHBondContact O-N 3.42Å; V592-L594 VanDerWaalsContact C-N 3.27Å; V592-L594 PolarHBondContact O-N 2.84Å; V592-R595 PolarHBondContact O-N 2.79Å; V592-R595 VanDerWaalsContact O-N 3.16Å; V592-D596 PolarHBondContact O-N 3.25Å
593R51.1Low44.2Very low136 Ų136102.1 Ų102.151%0.51350%0.495SS..Hα-helixtrans-64.4-30.7177-73-179179.9164.11.1112.5Y307 L589 S590 R597Y307-R593 PolarHBondContact OH-NE 3.06Å; Y307-R593 PolarHBondContact OH-NH2 3.19Å; L589-R593 WeakPolarHBondContact O-CB 3.43Å; L589-R593 WeakPolarHBondContact O-CG 3.38Å; L589-R593 PolarHBondContact O-N 2.85Å; S590-R593 PolarHBondContact O-N 3.47Å; R593-R597 VanDerWaalsContact O-CB 3.32Å; R593-R597 WeakPolarHBondContact O-CB 3.34Å; R593-R597 WeakPolarHBondContact O-CG 3.44Å; R593-R597 PolarHBondContact O-N 2.73Å
594L40.9Very low42.7Very low107 Ų107106.9 Ų106.956%0.5652%0.52SS*.Hα-helixtrans-75.9-31.5174.8-73.5169.4000112S590 V592 R597 S598S590-L594 WeakPolarHBondContact O-CB 3.48Å; S590-L594 WeakPolarHBondContact O-CG 3.48Å; S590-L594 PolarHBondContact O-N 3.15Å; V592-L594 VanDerWaalsContact C-N 3.27Å; V592-L594 PolarHBondContact O-N 2.84Å; L594-R597 CarbonylContact O-C 3.57Å; L594-R597 PolarHBondContact O-N 3.38Å; L594-S598 VanDerWaalsContact O-CB 3.3Å; L594-S598 WeakPolarHBondContact O-CB 3.4Å; L594-S598 PolarHBondContact O-N 3.01Å; L594-S598 PolarHBondContact O-OG 3.02Å
595R36.8Very low41.2Very low197 Ų197109.3 Ų109.374%0.74353%0.529SS*.Hα-helixtrans-72.1-36.9171.5-81.5-176176.9-166.7-0.8112.9A591 V592 R597 S598A591-R595 WeakPolarHBondContact O-CG 3.25Å; A591-R595 PolarHBondContact O-N 3.07Å; A591-R595 VanDerWaalsContact O-N 3.14Å; V592-R595 PolarHBondContact O-N 2.79Å; V592-R595 VanDerWaalsContact O-N 3.16Å; R595-R597 VanDerWaalsContact C-N 3.28Å; R595-S598 PolarHBondContact O-N 3.48Å; R595-S598 PolarHBondContact O-OG 2.88Å
596D37.5Very low39.9Very low120 Ų120116.2 Ų116.264%0.64257%0.566SS**Hα-helixtrans-69.6-26.5170.3-92-24.1000112.2V592 F600V592-D596 PolarHBondContact O-N 3.25Å; D596-F600 WeakPolarHBondContact O-CD2 3.16Å
597R31.5Very low38.3Very low187 Ų187120.2 Ų120.271%0.70659%0.586SS**Hα-helixtrans-84.6-24.3171.7-80-178.8167.4-174.4-4113.9R593 L594 R595 V599 F600R593-R597 VanDerWaalsContact O-CB 3.32Å; R593-R597 WeakPolarHBondContact O-CB 3.34Å; R593-R597 WeakPolarHBondContact O-CG 3.44Å; R593-R597 PolarHBondContact O-N 2.73Å; L594-R597 CarbonylContact O-C 3.57Å; L594-R597 PolarHBondContact O-N 3.38Å; R595-R597 VanDerWaalsContact C-N 3.28Å; R597-V599 PolarHBondContact O-N 3.49Å; R597-F600 CarbonylContact O-C 3.19Å; R597-F600 PolarHBondContact O-N 3.03Å
598S29.5Very low36.7Very low97 Ų97120.6 Ų120.668%0.67859%0.592SS**THydrogen-bonded Turntrans-78.6-4.5-178.668.20000113.8L594 R595L594-S598 VanDerWaalsContact O-CB 3.3Å; L594-S598 WeakPolarHBondContact O-CB 3.4Å; L594-S598 PolarHBondContact O-N 3.01Å; L594-S598 PolarHBondContact O-OG 3.02Å; R595-S598 PolarHBondContact O-N 3.48Å; R595-S598 PolarHBondContact O-OG 2.88Å
599V32.2Very low35.2Very low106 Ų106123.5 Ų123.564%0.64262%0.615SS**THydrogen-bonded Turntrans-97.2-3.5166.4-1740000110.9R597R597-V599 PolarHBondContact O-N 3.49Å
600F26Very low33.6Very low74 Ų74130 Ų13033%0.32565%0.648SS.*SBendtrans-145.1105.9-171-71.1-80.1000112.2I219 L224 D596 R597I219-F600 HydrophobicContact CD1-CE1 3.81Å; I219-F600 HydrophobicContact CD1-CE2 4.33Å; I219-F600 HydrophobicContact CD1-CZ 3.5Å; I219-F600 HydrophobicContact CG1-CE1 4.4Å; I219-F600 HydrophobicContact CG1-CZ 3.95Å; L224-F600 HydrophobicContact CD1-CD1 3.93Å; L224-F600 HydrophobicContact CD1-CE1 3.48Å; L224-F600 VanDerWaalsContact CD1-CE1 3.48Å; D596-F600 WeakPolarHBondContact O-CD2 3.16Å; R597-F600 CarbonylContact O-C 3.19Å; R597-F600 PolarHBondContact O-N 3.03Å
601Y27.3Very low32.1Very low207 Ų207134.1 Ų134.181%0.81267%0.666SS**  trans102.196.1176.8-79-99.3000116.6
602Q23.5Very low31.2Very low188 Ų188136.4 Ų136.488%0.87968%0.679SS**  trans-78.9121.7135-81.2-176.2-34.600107.5L604Q602-L604 PolarHBondContact O-N 3.42Å
603P27.1Very low30.2Very low101 Ų101141.5 Ų141.566%0.65671%0.706SS**  trans-73.3116.7172.9-6.622.9000109R605P603-R605 PolarHBondContact O-N 3.05Å
604L24.6Very low29.1Very low180 Ų180143.9 Ų143.994%0.94272%0.722SS**  trans-64.2100.1158.3-78.8161.5000107.3Q602Q602-L604 PolarHBondContact O-N 3.42Å
605R28.9Very low28.5Very low214 Ų214142.6 Ų142.681%0.80873%0.734SS**  trans-119.1116156.2-75.3-167.2-176.8-164.30.8107.5P603P603-R605 PolarHBondContact O-N 3.05Å
606D28.8Very low27.9Very low149 Ų149141 Ų14180%0.79774%0.735SS**  trans57121.6148-53.3-34000119.2D608D606-D608 PolarHBondContact O-N 3.11Å
607L25Very low27.4Very low154 Ų154143.5 Ų143.581%0.80675%0.748SS**  trans-34.7123.1154.8-76.174.3000111
608D27Very low27.1Very low136 Ų136139.7 Ų139.773%0.72775%0.745SS**  173142.297.5-92.2-34.4000110.5D606D606-D608 PolarHBondContact O-N 3.11Å
609C25.8Very low26.9Very low103 Ų103139.2 Ų139.270%0.69675%0.747SS**  trans73.9114.7143.479.60000121.7
610I27.6Very low26.7Very low145 Ų145142.3 Ų142.374%0.74476%0.76SS**  93.1102.9127.7-62.3163000118.3
611D25.5Very low26.6Very low139 Ų139142 Ų14274%0.74378%0.777SS**  61.5116.8129-66.9-23.6000122.7
612S27.9Very low26.6Very low97 Ų97140.2 Ų140.268%0.67878%0.782SS**  91.5134119.2-62.30000121.4
613D30.1Very low26.7Very low135 Ų135140.8 Ų140.872%0.72279%0.785SS**  trans91.196.7148.4-61.7-19000121.2
614H27.7Very low26.7Very low186 Ų186141 Ų14186%0.86179%0.788SS**  40.9116.2119.5-65.7-63.3000119.4
615G29.1Very low26.7Very low79 Ų79136.8 Ų136.881%0.81477%0.774SS**  trans-16582.6165.800000113.4L617G615-L617 PolarHBondContact O-N 3.32Å
616H23.6Very low26.6Very low165 Ų165132.1 Ų132.176%0.76477%0.77SS**  trans-66.4118.2172.2-177.3-78.6000110.8T618H616-T618 WeakPolarHBondContact CE1-CG2 3.02Å
617L27.2Very low26.7Very low172 Ų172131.4 Ų131.490%0.90177%0.771SS**  trans-137.1127160.3-78.5176.9000112.2G615G615-L617 PolarHBondContact O-N 3.32Å
618T25Very low26.8Very low107 Ų107126.5 Ų126.566%0.65676%0.757SS**  trans-80.6159.5-171.242.40000113.7H616H616-T618 WeakPolarHBondContact CE1-CG2 3.02Å
619A25.1Very low26.9Very low87 Ų87127.2 Ų127.272%0.71976%0.756SS**  trans-23.9137.7164.700000117.8
620N27.1Very low27.1Very low170 Ų170125.1 Ų125.191%0.90975%0.746SS**  trans-167.7119.6137.6-80-33.4000104.1
621G25Very low27.3Very low67 Ų67122.9 Ų122.969%0.69174%0.739SS**  10891.156.400000107
622D26.9Very low27.5Very low170 Ų170123 Ų12391%0.90974%0.739SS**  trans-156.393.5150.7-102.4-18.3000109.7
623Q25.5Very low27.6Very low201 Ų201124.2 Ų124.294%0.93974%0.737SS**  trans-79.6113166.6-64.3178.410.900107.8
624S27.5Very low27.6Very low104 Ų104121.4 Ų121.473%0.72773%0.727SS**  trans-141.191.2159.7-176.50000106.7
625S24.4Very low27.6Very low92 Ų92116.7 Ų116.764%0.64371%0.714SS**  74.212986.183.50000112.2
626T27.2Very low27.4Very low117 Ų117114.9 Ų114.972%0.71869%0.691SS**  trans89.15017177.10000119.7
627V29.5Very low27.6Very low134 Ų134109.2 Ų109.281%0.81267%0.666SS**SBendtrans-116.155.5158.9-163.50000110.1N275N275-V627 PolarHBondContact ND2-O 2.97Å
628G28.4Very low27.7Very low51 Ų51104.1 Ų104.153%0.52664%0.639SS.*SBendtrans-135-14.4178.100000114.5
629E29Very low27.8Very low151 Ų151105.7 Ų105.771%0.70664%0.643SS**SBendtrans-123-5-172.5-69.1-178.6151.300114.2T631 I632E629-T631 VanDerWaalsContact C-N 3.32Å; E629-T631 PolarHBondContact O-N 3.28Å; E629-I632 PolarHBondContact O-N 2.94Å
630A29.9Very low28Very low59 Ų59109.1 Ų109.149%0.48864%0.638SS.*G310 helixtrans-74.4-14.1-176.200000114.8I632 L633A630-I632 PolarHBondContact O-N 2.94Å; A630-L633 PolarHBondContact O-N 3.24Å
631T30.6Very low28.1Very low97 Ų97106.4 Ų106.460%0.59563%0.628SS**G310 helixtrans-76-12.3175.6-36.50000112.6E629E629-T631 VanDerWaalsContact C-N 3.32Å; E629-T631 PolarHBondContact O-N 3.28Å
632I31.1Very low28.3Very low143 Ų143111.4 Ų111.473%0.73363%0.631SS**G310 helixtrans-89.7-11.7174.6-64.4176.9000112E629 A630E629-I632 PolarHBondContact O-N 2.94Å; A630-I632 PolarHBondContact O-N 2.94Å
633L29.6Very low28.5Very low121 Ų121107.9 Ų107.963%0.63461%0.609SS**THydrogen-bonded Turntrans-99.4-14-179.8-96.8125.6000115.6A630 C635A630-L633 PolarHBondContact O-N 3.24Å; L633-C635 PolarHBondContact O-N 3.49Å
634C29.2Very low28.8Very low76 Ų76102.7 Ų102.751%0.51459%0.59SS.*THydrogen-bonded Turntrans-78.6-4.5170.4-790000114K381K381-C634 PolarHBondContact NZ-O 3.12Å
635C28Very low29Very low87 Ų87102 Ų10259%0.58859%0.585SS**THydrogen-bonded Turntrans-100-0.9175.1-77.50000114.9L633 L637L633-C635 PolarHBondContact O-N 3.49Å; C635-L637 PolarHBondContact O-N 3.4Å
636A25.9Very low29.2Very low41 Ų41102.2 Ų102.234%0.33958%0.579SS.*THydrogen-bonded Turntrans-98.933.5-16200000117.7
637L27Very low29.3Very low47 Ų47101.8 Ų101.825%0.24657%0.571CS.*THydrogen-bonded Turntrans-115.49.2174.3-113128.9000116.5R385 F388 C635R385-L637 HydrophobicContact CG-CD1 3.29Å; F388-L637 HydrophobicContact CE2-CD2 4.32Å; C635-L637 PolarHBondContact O-N 3.4Å
638I29.7Very low29.4Very low64 Ų6499 Ų9933%0.32856%0.563SS.*SBendtrans-97.5-2.7167.8-66.8150.1000112.1S414S414-I638 WeakPolarHBondContact OG-CD1 3.35Å; S414-I638 WeakPolarHBondContact OG-CG1 3.41Å
639L27.9Very low29.6Very low140 Ų140103.9 Ų103.973%0.73357%0.572SS**SBendtrans-103.5-8176-73.6169.3000115
640Y27.9Very low29.6Very low160 Ų160103 Ų10363%0.62757%0.571SS**Hα-helixtrans-93.2-3.3178.8-124.9-93.8000115.1V644Y640-V644 HydrophobicContact CD1-CG2 3.9Å; Y640-V644 HydrophobicContact CE1-CG2 3.89Å
641T29.9Very low29.6Very low112 Ų112108.2 Ų108.269%0.68759%0.591SS**Hα-helixtrans-99.43.9173.249.40000114
642K29.9Very low29.6Very low173 Ų173107.2 Ų107.275%0.75260%0.6SS**Hα-helixtrans-110.1-20164.3-79.7-173.7174.8-176.40114L646K642-L646 WeakPolarHBondContact O-CB 3.45Å; K642-L646 PolarHBondContact O-N 3.05Å
643H30.5Very low29.6Very low96 Ų96105.5 Ų105.544%0.44460%0.601SS.*Hα-helixtrans-90.3-12.6-178.5-136.2-85.9000115L647H643-L647 WeakPolarHBondContact ND1-CD1 3.08Å; H643-L647 WeakPolarHBondContact O-CB 3.35Å; H643-L647 WeakPolarHBondContact O-CG 3.28Å; H643-L647 PolarHBondContact O-N 3.35Å
644V31.3Very low29.7Very low91 Ų91106.4 Ų106.455%0.55261%0.606SS**THydrogen-bonded Turntrans-92.2-15.9172.3-179.70000112.6Y640Y640-V644 HydrophobicContact CD1-CG2 3.9Å; Y640-V644 HydrophobicContact CE1-CG2 3.89Å
645S31.6Very low29.7Very low89 Ų89109.5 Ų109.562%0.62262%0.618SS**THydrogen-bonded Turntrans-90.7-10.1164.2-70.80000113.9
646L29.7Very low29.9Very low98 Ų98111.5 Ų111.551%0.51363%0.628SS.*THydrogen-bonded Turntrans-97-24.4174.1-154.277.8000112.6K642K642-L646 WeakPolarHBondContact O-CB 3.45Å; K642-L646 PolarHBondContact O-N 3.05Å
647L29.2Very low30.2Very low107 Ų107115.3 Ų115.356%0.5665%0.652SS**G310 helixtrans-86.4-8171.6-71172.3000113.8H643 Q649 L650H643-L647 WeakPolarHBondContact ND1-CD1 3.08Å; H643-L647 WeakPolarHBondContact O-CB 3.35Å; H643-L647 WeakPolarHBondContact O-CG 3.28Å; H643-L647 PolarHBondContact O-N 3.35Å; L647-Q649 VanDerWaalsContact C-N 3.29Å; L647-L650 HydrophobicContact CD2-CD1 4.33Å
648A32.1Very low30.4Very low77 Ų77116.7 Ų116.764%0.63668%0.677SS**G310 helixtrans-853.1168.700000113.7
649Q32.6Very low30.5Very low153 Ų153117.2 Ų117.272%0.71569%0.687SS**G310 helixtrans-114.89.5178.4-73.7-174.5-23.500113.9L647L647-Q649 VanDerWaalsContact C-N 3.29Å
650L28.3Very low30.5Very low132 Ų132113.4 Ų113.469%0.69168%0.675SS**SBendtrans-109.78.7-180-75.4171.4000115L647L647-L650 HydrophobicContact CD2-CD1 4.33Å
651N29.8Very low30.5Very low168 Ų168109.7 Ų109.790%0.89867%0.672SS**SBendtrans-142.993.1168.5-84.4-31.5000108.9
652G30.4Very low30.4Very low76 Ų76109.6 Ų109.678%0.78468%0.676SS**  trans163.688.5-179.600000111.5
653S30.8Very low30.5Very low108 Ų108109.3 Ų109.376%0.75568%0.676SS**  trans-53.3154.8178.9-50.50000114.2
654N31.4Very low30.5Very low139 Ų139112 Ų11274%0.74369%0.694SS**  trans105.3103.6153.8-57.6-18.2000117.6
655N29.7Very low30.5Very low142 Ų142111.6 Ų111.676%0.75971%0.708SS**  86.7126.9127.1-66.3-11.9000120.3
656T32.3Very low30.4Very low129 Ų129115 Ų11579%0.79172%0.719SS**  trans91.885.6149.9590000120.5
657S31.6Very low30.5Very low121 Ų121115.2 Ų115.285%0.84673%0.729SS**  30.2125.8121.252.20000121.4
658G31.2Very low30.7Very low76 Ų76115 Ų11578%0.78473%0.734SS**  trans160.292.6147.400000116.5
659S32.9Very low30.8Very low75 Ų75117.5 Ų117.552%0.52474%0.741SS.*  trans32140.4140.5-79.60000124.8F794 V795S659-F794 WeakPolarHBondContact CB-O 3.28Å; S659-F794 PolarHBondContact OG-O 2.78Å; S659-V795 VanDerWaalsContact OG-CA 3.28Å; S659-V795 WeakPolarHBondContact OG-CA 3.44Å; S659-V795 WeakPolarHBondContact OG-CG2 2.91Å
660A28.6Very low31.1Very low59 Ų59115.3 Ų115.349%0.48874%0.738SS.*  trans-86.4176.4179.900000115.6F794 V795A660-F794 VanDerWaalsContact O-CB 3.27Å; A660-F794 WeakPolarHBondContact O-CB 3.24Å; A660-F794 WeakPolarHBondContact O-CD1 3.18Å; A660-F794 WeakPolarHBondContact O-CG 3.44Å; A660-V795 VanDerWaalsContact C-OXT 3.28Å; A660-V795 WeakPolarHBondContact CA-OXT 3.45Å; A660-V795 WeakPolarHBondContact CB-OXT 2.94Å; A660-V795 PolarHBondContact N-OXT 3.38Å; A660-V795 CarbonylContact O-C 3.53Å
661C26.7Very low32.2Very low83 Ų83115.2 Ų115.256%0.56174%0.738SS**  trans-136.9112.5171.3-480000110.7F794C661-F794 VanDerWaalsContact CA-CE1 3.47Å; C661-F794 HydrophobicContact CB-CD1 3.6Å; C661-F794 HydrophobicContact CB-CE1 3.17Å; C661-F794 HydrophobicContact CB-CZ 3.85Å; C661-F794 WeakPolarHBondContact SG-CD1 3.47Å; C661-F794 WeakPolarHBondContact SG-CE1 3.4Å; C661-F794 VanDerWaalsContact SG-CZ 3.57Å
662S28Very low34.1Very low110 Ų110112.3 Ų112.377%0.76972%0.722SS**  trans-81.1128.3160.6-63.60000109.8
663H31.2Very low36.6Very low166 Ų166110.5 Ų110.577%0.76970%0.697SS**  trans-128.8111.9164-95.7-73.7000111.4G665H663-G665 PolarHBondContact O-N 3.25Å
664N30.8Very low39.2Very low152 Ų152109.2 Ų109.281%0.81368%0.676SS**  trans-56.5122.8165-78.5-33.5000110.7L666N664-L666 PolarHBondContact O-N 3.4Å; N664-L666 VanDerWaalsContact O-N 3.13Å
665G31Very low41.7Very low83 Ų83107.9 Ų107.986%0.85667%0.668SS**  trans-76.791.1168.600000110.9H663H663-G665 PolarHBondContact O-N 3.25Å
666L30.3Very low44.6Very low161 Ų161101.1 Ų101.184%0.84363%0.632SS**PPolyproline II helixtrans-52.8132.3163.1-79144.6000110N664N664-L666 PolarHBondContact O-N 3.4Å; N664-L666 VanDerWaalsContact O-N 3.13Å
667S31.6Very low47.3Very low103 Ų10397 Ų9772%0.7260%0.603SS**PPolyproline II helixtrans-69.2141160.3-142.90000107.9V669S667-V669 PolarHBondContact O-N 2.99Å
668P33.7Very low50.2Low102 Ų10291.2 Ų91.266%0.66256%0.562SS**PPolyproline II helixtrans-63.3129.4-172.926.1-32.1000110V670P668-V670 HydrophobicContact CB-CG2 4.14Å; P668-V670 HydrophobicContact CG-CG2 4.36Å; P668-V670 PolarHBondContact O-N 3.26Å; P668-V670 VanDerWaalsContact O-N 3.13Å
669V34.3Very low53Low129 Ų12988.5 Ų88.578%0.78253%0.531SS*.  trans-59.6110.5161.7176.70000106.2S667S667-V669 PolarHBondContact O-N 2.99Å
670V39.5Very low55.5Low108 Ų10885.5 Ų85.566%0.65551%0.509SS*.  trans-129.1117.9169.4-174.50000104.8P668P668-V670 HydrophobicContact CB-CG2 4.14Å; P668-V670 HydrophobicContact CG-CG2 4.36Å; P668-V670 PolarHBondContact O-N 3.26Å; P668-V670 VanDerWaalsContact O-N 3.13Å
671D51.2Low58.1Low129 Ų12984.6 Ų84.669%0.6950%0.496SS*.SBendtrans71.4118.5-177.1-53.6-30.3000116.2C673D671-C673 PolarHBondContact O-N 2.71Å
672D69.7Low60.5Low108 Ų10888.8 Ų88.858%0.57851%0.505SS*.SBendtrans-57.655.7-179-74.4-34.6000115.4
673C83.1Confident62.5Low37 Ų3788.1 Ų88.125%0.2550%0.5CS..EExtended strand (participates in β ladder)trans-153151.617769.70000111.8D671 K698 L699 E700D671-C673 PolarHBondContact O-N 2.71Å; C673-K698 HydrophobicContact CB-CD 4.49Å; C673-K698 HydrophobicContact CB-CG 4.06Å; C673-K698 WeakPolarHBondContact SG-CE 3.23Å; C673-L699 CarbonylContact C-O 3.49Å; C673-L699 VanDerWaalsContact CA-O 3.24Å; C673-L699 WeakPolarHBondContact CA-O 3.43Å; C673-L699 WeakPolarHBondContact CB-O 3.48Å; C673-E700 HydrophobicContact CB-CG 4.15Å
674Y84.4Confident64.4Low81 Ų8181.6 Ų81.632%0.31847%0.471SS..EExtended strand (participates in β ladder)trans-107139.8168.5-61.2-59.4000109.9L699 F746 V749 M755Y674-L699 HydrophobicContact CD2-CD2 4.42Å; Y674-L699 PolarHBondContact N-O 3.43Å; Y674-L699 PolarHBondContact O-N 3.17Å; Y674-F746 AromaticContact CD2-CD2 3.5Å; Y674-F746 HydrophobicContact CD2-CD2 3.5Å; Y674-F746 VanDerWaalsContact CD2-CD2 3.5Å; Y674-F746 AromaticContact CD2-CE2 3.36Å; Y674-F746 HydrophobicContact CD2-CE2 3.36Å; Y674-F746 HydrophobicContact CD2-CG 4.26Å; Y674-F746 HydrophobicContact CD2-CZ 4.05Å; Y674-F746 HydrophobicContact CE2-CD1 4.27Å; Y674-F746 AromaticContact CE2-CD2 3.68Å; Y674-F746 HydrophobicContact CE2-CD2 3.68Å; Y674-F746 AromaticContact CE2-CE1 3.99Å; Y674-F746 HydrophobicContact CE2-CE1 3.99Å; Y674-F746 AromaticContact CE2-CE2 3.34Å; Y674-F746 HydrophobicContact CE2-CE2 3.34Å; Y674-F746 HydrophobicContact CE2-CG 4.13Å; Y674-F746 AromaticContact CE2-CZ 3.52Å; Y674-F746 HydrophobicContact CE2-CZ 3.52Å; Y674-F746 HydrophobicContact CG-CD2 4.5Å; Y674-F746 HydrophobicContact CG-CE2 4.14Å; Y674-F746 AromaticContact CZ-CZ 3.96Å; Y674-V749 HydrophobicContact CD2-CG2 4.38Å; Y674-V749 HydrophobicContact CE2-CG2 4.48Å; Y674-M755 HydrophobicContact CD1-CE 3.29Å; Y674-M755 HydrophobicContact CD2-CE 3.99Å; Y674-M755 HydrophobicContact CE1-CE 3.69Å; Y674-M755 HydrophobicContact CE2-CE 4.32Å; Y674-M755 HydrophobicContact CG-CE 3.46Å; Y674-M755 VanDerWaalsContact CG-CE 3.46Å; Y674-M755 HydrophobicContact CG-SD 4.27Å
675I84.9Confident66Low111 Ų11177.6 Ų77.657%0.56945%0.447SS*.EExtended strand (participates in β ladder)trans-91.5103.3164.6-59.5-72.9000107.5K698I675-K698 HydrophobicContact CD1-CB 4.25Å; I675-K698 HydrophobicContact CD1-CG 4.32Å
676V89.1Confident67.2Low0 Ų080.1 Ų80.10%045%0.446CS..EExtended strand (participates in β ladder)trans-96.5149.2179.9-590000111V678 S696 V697 L699 L708 M755 F757V676-V678 HydrophobicContact CG2-CG2 4.38Å; V676-S696 CarbonylContact O-C 3.58Å; V676-S696 WeakPolarHBondContact O-CA 3.3Å; V676-V697 HydrophobicContact CG2-CB 4.05Å; V676-V697 WeakPolarHBondContact CG2-O 3.36Å; V676-V697 PolarHBondContact N-O 3.29Å; V676-V697 PolarHBondContact O-N 2.79Å; V676-L699 HydrophobicContact CG1-CB 3.99Å; V676-L699 HydrophobicContact CG1-CD2 3.9Å; V676-L699 HydrophobicContact CG2-CB 4.19Å; V676-L708 HydrophobicContact CG2-CD1 3.72Å; V676-M755 HydrophobicContact CB-CB 4.49Å; V676-M755 HydrophobicContact CG1-CB 4.11Å; V676-M755 HydrophobicContact CG1-SD 4.1Å; V676-F757 HydrophobicContact CB-CD2 3.76Å; V676-F757 HydrophobicContact CB-CE2 3.54Å; V676-F757 HydrophobicContact CG1-CD2 4.3Å; V676-F757 HydrophobicContact CG1-CE2 3.56Å; V676-F757 HydrophobicContact CG1-CZ 4.3Å; V676-F757 HydrophobicContact CG2-CD2 4.27Å; V676-F757 HydrophobicContact CG2-CE2 4.26Å
677K90.1Very high67.7Low42 Ų4277.9 Ų77.918%0.18344%0.444CS..EExtended strand (participates in β ladder)trans-105.2125.2176.8-68.9-178.7176.2-174.60110.3R4 P754 M755 M756 F757R4-K677 VanDerWaalsContact NH1-NZ 3.19Å; K677-P754 HydrophobicContact CD-CB 4.48Å; K677-M755 PolarHBondContact N-O 3.21Å; K677-M756 HydrophobicContact CB-SD 3.93Å; K677-M756 HydrophobicContact CD-SD 3.76Å; K677-M756 CarbonylContact O-C 3.49Å; K677-M756 WeakPolarHBondContact O-CA 3.46Å; K677-F757 PolarHBondContact O-N 3.44Å
678V91.4Very high67.9Low0 Ų077.5 Ų77.50%044%0.441CS..EExtended strand (participates in β ladder)trans-115.4127.2-178.8-168.30000110.7V676 Y694 K695 V697 A712 H716 I727 F757 L759V676-V678 HydrophobicContact CG2-CG2 4.38Å; V678-Y694 CarbonylContact O-C 3.51Å; V678-Y694 WeakPolarHBondContact O-CA 3.25Å; V678-K695 PolarHBondContact N-O 3.47Å; V678-K695 PolarHBondContact O-N 3.37Å; V678-V697 HydrophobicContact CG2-CB 4.33Å; V678-V697 HydrophobicContact CG2-CG2 3.94Å; V678-A712 HydrophobicContact CB-CB 4.17Å; V678-A712 HydrophobicContact CG1-CB 3.84Å; V678-A712 HydrophobicContact CG2-CB 4.13Å; V678-H716 PolarHBondContact O-CE1 3.14Å; V678-H716 PolarHBondContact O-NE2 3.48Å; V678-I727 HydrophobicContact CG1-CD1 3.99Å; V678-I727 HydrophobicContact CG2-CD1 4.28Å; V678-F757 CarbonylContact C-O 3.54Å; V678-F757 WeakPolarHBondContact CA-O 3.36Å; V678-F757 HydrophobicContact CB-CB 4.47Å; V678-F757 HydrophobicContact CG1-CB 4.3Å; V678-F757 HydrophobicContact CG2-CB 4.17Å; V678-L759 HydrophobicContact CG1-CB 3.95Å
679T89.7Confident68.3Low19 Ų1978.6 Ų78.612%0.11745%0.446CS..EExtended strand (participates in β ladder)trans-103.4149.2171.8-54.90000110.2L693 Y694 F757 I758 L759T679-L693 VanDerWaalsContact CB-O 3.27Å; T679-L693 WeakPolarHBondContact CB-O 3.44Å; T679-L693 WeakPolarHBondContact CG2-O 3.44Å; T679-L693 PolarHBondContact OG1-O 3.07Å; T679-Y694 WeakPolarHBondContact OG1-CD1 3.37Å; T679-Y694 VanDerWaalsContact OG1-CE1 3.31Å; T679-Y694 WeakPolarHBondContact OG1-CE1 3.44Å; T679-F757 PolarHBondContact N-O 3.33Å; T679-I758 CarbonylContact O-C 3.52Å; T679-I758 WeakPolarHBondContact O-CA 3.13Å; T679-L759 PolarHBondContact O-N 3.1Å
680L86.4Confident68.5Low13 Ų1381.9 Ų81.97%0.06845%0.446CS..EExtended strand (participates in β ladder)trans-83.2134.2167.7-67.4175.6000110L684 Q685 H716 V718 L759L680-L684 HydrophobicContact CB-CB 4.14Å; L680-L684 HydrophobicContact CD2-CB 4.43Å; L680-L684 HydrophobicContact CD2-CD1 4.18Å; L680-Q685 HydrophobicContact CB-CG 4.26Å; L680-Q685 PolarHBondContact O-NE2 3.34Å; L680-H716 HydrophobicContact CD1-CB 4.03Å; L680-H716 HydrophobicContact CD2-CB 4.26Å; L680-H716 HydrophobicContact CG-CB 4.26Å; L680-V718 HydrophobicContact CD1-CG2 4.08Å; L680-V718 HydrophobicContact CD2-CG2 4.4Å; L680-L759 HydrophobicContact CD2-CB 4.36Å; L680-L759 HydrophobicContact CD2-CD2 3.87Å
681D83.2Confident69Low40 Ų4083.1 Ų83.121%0.21444%0.444CS..PPolyproline II helixtrans-57.2152.3170.6-160.61.5000110.7S683 L684 I758 L759 R760D681-S683 PolarHBondContact O-N 3.18Å; D681-L684 WeakPolarHBondContact O-CB 3.38Å; D681-L684 PolarHBondContact O-N 3.31Å; D681-I758 HydrophobicContact CB-CD1 4.17Å; D681-I758 HydrophobicContact CB-CG1 4.16Å; D681-L759 WeakPolarHBondContact CB-O 3.34Å; D681-L759 PolarHBondContact N-O 3.17Å; D681-R760 HydrophobicContact CB-CB 3.88Å
682K76.2Confident68.9Low171 Ų17180.3 Ų80.374%0.74343%0.432SS*.G310 helixtrans-55.1-32.3-172.9-68.2-176.3177.3-176.10112.6L684 Q685K682-L684 PolarHBondContact O-N 3.37Å; K682-Q685 PolarHBondContact O-N 2.81Å
683S71.7Confident68.7Low95 Ų9578.1 Ų78.166%0.66442%0.42SS*.G310 helixtrans-65.1-16.817757.20000114.6D681D681-S683 PolarHBondContact O-N 3.18Å
684L69.7Low68.7Low30 Ų3081.5 Ų81.516%0.15743%0.428CS..G310 helixtrans-103.9-4.7-179.6-66.4168.5000113.1L680 D681 K682 T686 F725 R761L680-L684 HydrophobicContact CB-CB 4.14Å; L680-L684 HydrophobicContact CD2-CB 4.43Å; L680-L684 HydrophobicContact CD2-CD1 4.18Å; D681-L684 WeakPolarHBondContact O-CB 3.38Å; D681-L684 PolarHBondContact O-N 3.31Å; K682-L684 PolarHBondContact O-N 3.37Å; L684-T686 PolarHBondContact O-N 3.47Å; L684-F725 HydrophobicContact CD1-CD1 3.89Å; L684-F725 HydrophobicContact CD1-CE1 3.58Å; L684-F725 HydrophobicContact CD2-CE1 3.64Å; L684-F725 HydrophobicContact CD2-CZ 4.31Å; L684-F725 HydrophobicContact CG-CE1 4.27Å; L684-R761 HydrophobicContact CD2-CB 4.29Å
685Q65.6Low68.7Low67 Ų6780.8 Ų80.831%0.31343%0.427SS..  trans-85.691.9179.7-62.4-175.423.900109.4L680 K682 S687L680-Q685 HydrophobicContact CB-CG 4.26Å; L680-Q685 PolarHBondContact O-NE2 3.34Å; K682-Q685 PolarHBondContact O-N 2.81Å; Q685-S687 PolarHBondContact O-N 3.35Å
686T55.3Low68.8Low137 Ų13777.8 Ų77.884%0.8442%0.416SS*.  trans-70.5112172.735.50000110.5L684L684-T686 PolarHBondContact O-N 3.47Å
687S40.2Very low68.8Low114 Ų11478.1 Ų78.180%0.79742%0.417SS*.SBendtrans21.9131.8152.2-137.10000119.6Q685Q685-S687 PolarHBondContact O-N 3.35Å
688S37.3Very low68.7Low94 Ų9480.7 Ų80.766%0.65743%0.429SS*.SBendtrans95.9100.9165.777.10000117.6Y690S688-Y690 VanDerWaalsContact C-N 3.3Å; S688-Y690 PolarHBondContact O-N 3Å
689T41.9Very low68.7Low125 Ų12580.7 Ų80.777%0.76743%0.429SS*.SBendtrans72.5-14.5141.3-20.80000119.4
690Y38.3Very low68.6Low199 Ų19982.6 Ų82.678%0.7844%0.436SS*.  trans-137.999.6179.4-57.4-83.7000111.3S688 T692S688-Y690 VanDerWaalsContact C-N 3.3Å; S688-Y690 PolarHBondContact O-N 3Å; Y690-T692 PolarHBondContact O-N 3.32Å; Y690-T692 VanDerWaalsContact O-N 3.08Å
691E50.1Low68.8Low133 Ų13385 Ų8562%0.62145%0.449SS*.  trans-70.9103.2176.3-147.1178.5-159.900108.8L693E691-L693 VanDerWaalsContact C-N 3.25Å; E691-L693 PolarHBondContact O-N 3.34Å
692T49.3Very low69.1Low71 Ų7187 Ų8744%0.43647%0.466SS..  trans-74.482.9178.6-19.50000108.9Y690 Y694Y690-T692 PolarHBondContact O-N 3.32Å; Y690-T692 VanDerWaalsContact O-N 3.08Å; T692-Y694 PolarHBondContact O-N 2.91Å
693L65Low69.8Low62 Ų6279.3 Ų79.333%0.32543%0.433SS..  trans-59.8-42.7-167.8-81.1160.8000113.6T679 E691T679-L693 VanDerWaalsContact CB-O 3.27Å; T679-L693 WeakPolarHBondContact CB-O 3.44Å; T679-L693 WeakPolarHBondContact CG2-O 3.44Å; T679-L693 PolarHBondContact OG1-O 3.07Å; E691-L693 VanDerWaalsContact C-N 3.25Å; E691-L693 PolarHBondContact O-N 3.34Å
694Y82.1Confident70.8Confident108 Ų10882.2 Ų82.242%0.42443%0.43SS..  trans-156.4147.2-179.1-34.4-85.4000111.1V678 T679 T692 M756V678-Y694 CarbonylContact O-C 3.51Å; V678-Y694 WeakPolarHBondContact O-CA 3.25Å; T679-Y694 WeakPolarHBondContact OG1-CD1 3.37Å; T679-Y694 VanDerWaalsContact OG1-CE1 3.31Å; T679-Y694 WeakPolarHBondContact OG1-CE1 3.44Å; T692-Y694 PolarHBondContact O-N 2.91Å; Y694-M756 HydrophobicContact CD1-CE 3.48Å; Y694-M756 VanDerWaalsContact CD1-CE 3.48Å; Y694-M756 HydrophobicContact CD1-SD 4.08Å; Y694-M756 HydrophobicContact CE1-CE 3.15Å; Y694-M756 HydrophobicContact CE1-SD 4.27Å
695K84.6Confident72Confident66 Ų6680.8 Ų80.829%0.28742%0.422SS..EExtended strand (participates in β ladder)trans-124.2132.8163.9-65.5-160.8-173.2-1610111.2V678 K715V678-K695 PolarHBondContact N-O 3.47Å; V678-K695 PolarHBondContact O-N 3.37Å; K695-K715 HydrophobicContact CB-CB 4.47Å; K695-K715 HydrophobicContact CB-CD 3.89Å; K695-K715 HydrophobicContact CB-CG 3.95Å; K695-K715 HydrophobicContact CD-CB 4.43Å; K695-K715 HydrophobicContact CD-CG 3.92Å; K695-K715 WeakPolarHBondContact CD-O 3.21Å; K695-K715 VanDerWaalsContact CE-O 3.31Å; K695-K715 WeakPolarHBondContact CE-O 3.45Å; K695-K715 PolarHBondContact NZ-O 2.69Å
696S87.9Confident73.3Confident48 Ų4880.9 Ų80.934%0.33642%0.421SS..EExtended strand (participates in β ladder)trans-81.8119.7-175.3-56.10000112.2V676 K715V676-S696 CarbonylContact O-C 3.58Å; V676-S696 WeakPolarHBondContact O-CA 3.3Å; S696-K715 WeakPolarHBondContact O-CD 3.36Å; S696-K715 WeakPolarHBondContact O-CE 3.33Å; S696-K715 PolarHBondContact O-NZ 3.1Å
697V88.5Confident75Confident6 Ų676.1 Ų76.14%0.03639%0.391CS..EExtended strand (participates in β ladder)trans-106.7140.5177.4178.10000109.2V676 V678 L708 K711 A712 K715V676-V697 HydrophobicContact CG2-CB 4.05Å; V676-V697 WeakPolarHBondContact CG2-O 3.36Å; V676-V697 PolarHBondContact N-O 3.29Å; V676-V697 PolarHBondContact O-N 2.79Å; V678-V697 HydrophobicContact CG2-CB 4.33Å; V678-V697 HydrophobicContact CG2-CG2 3.94Å; V697-L708 HydrophobicContact CB-CD1 4.19Å; V697-L708 HydrophobicContact CG1-CD1 3.77Å; V697-K711 HydrophobicContact CG1-CB 3.43Å; V697-K711 VanDerWaalsContact CG1-CB 3.43Å; V697-K711 HydrophobicContact CG1-CD 4.05Å; V697-K711 HydrophobicContact CG1-CG 4.32Å; V697-A712 HydrophobicContact CG2-CB 4.26Å; V697-K715 HydrophobicContact CG2-CD 4.1Å
698K89Confident77.6Confident97 Ų9770.7 Ų70.742%0.42235%0.353SS..EExtended strand (participates in β ladder)trans-81.4119.3170.9-171.3-169.9-179.6-162.20107.9C673 I675 E700 K711C673-K698 HydrophobicContact CB-CD 4.49Å; C673-K698 HydrophobicContact CB-CG 4.06Å; C673-K698 WeakPolarHBondContact SG-CE 3.23Å; I675-K698 HydrophobicContact CD1-CB 4.25Å; I675-K698 HydrophobicContact CD1-CG 4.32Å; K698-E700 HydrophobicContact CD-CG 4.02Å; K698-E700 WeakPolarHBondContact CD-OE1 3.26Å; K698-E700 VanDerWaalsContact CE-OE1 3.22Å; K698-E700 WeakPolarHBondContact CE-OE1 3.39Å; K698-E700 HydrophobicContact CG-CG 4.13Å; K698-E700 IonicContact NZ-OE1 2.81Å; K698-E700 PolarHBondContact NZ-OE1 3.36Å; K698-K711 PolarHBondContact O-NZ 3.27Å
699L89.8Confident80.3Confident0 Ų066.2 Ų66.20%032%0.322CS..EExtended strand (participates in β ladder)trans-102.9109.6175.3179.166.7000108.3C673 Y674 V676 D703 L708 A745 F746 V749C673-L699 CarbonylContact C-O 3.49Å; C673-L699 VanDerWaalsContact CA-O 3.24Å; C673-L699 WeakPolarHBondContact CA-O 3.43Å; C673-L699 WeakPolarHBondContact CB-O 3.48Å; Y674-L699 HydrophobicContact CD2-CD2 4.42Å; Y674-L699 PolarHBondContact N-O 3.43Å; Y674-L699 PolarHBondContact O-N 3.17Å; V676-L699 HydrophobicContact CG1-CB 3.99Å; V676-L699 HydrophobicContact CG1-CD2 3.9Å; V676-L699 HydrophobicContact CG2-CB 4.19Å; L699-D703 WeakPolarHBondContact CA-OD2 3.33Å; L699-D703 HydrophobicContact CD1-CB 3.61Å; L699-L708 HydrophobicContact CD1-CB 4.28Å; L699-L708 HydrophobicContact CD1-CD1 4.31Å; L699-L708 HydrophobicContact CD1-CD2 4.27Å; L699-A745 HydrophobicContact CD1-CB 3.74Å; L699-F746 HydrophobicContact CG-CB 4.39Å; L699-F746 HydrophobicContact CG-CD2 4.42Å; L699-V749 HydrophobicContact CD2-CG1 4.3Å; L699-V749 HydrophobicContact CD2-CG2 4.07Å
700E88.4Confident82.7Confident58 Ų5865.9 Ų65.927%0.27131%0.307SS..EExtended strand (participates in β ladder)trans-95.9159.9-178.4-67.6163.7147.400110.3C673 K698 S702 D703 K711 F746C673-E700 HydrophobicContact CB-CG 4.15Å; K698-E700 HydrophobicContact CD-CG 4.02Å; K698-E700 WeakPolarHBondContact CD-OE1 3.26Å; K698-E700 VanDerWaalsContact CE-OE1 3.22Å; K698-E700 WeakPolarHBondContact CE-OE1 3.39Å; K698-E700 HydrophobicContact CG-CG 4.13Å; K698-E700 IonicContact NZ-OE1 2.81Å; K698-E700 PolarHBondContact NZ-OE1 3.36Å; E700-S702 PolarHBondContact O-N 3.38Å; E700-D703 PolarHBondContact N-OD2 3.22Å; E700-D703 WeakPolarHBondContact O-CB 3.49Å; E700-D703 PolarHBondContact O-N 2.98Å; E700-K711 IonicContact OE2-NZ 2.79Å; E700-K711 PolarHBondContact OE2-NZ 3.31Å; E700-F746 WeakPolarHBondContact O-CB 3.46Å
701N89.7Confident85.3Confident64 Ų6459.6 Ų59.634%0.34228%0.283SS..THydrogen-bonded Turntrans-57.4-19.5179.365.21.2000114.8N744 F746N701-N744 PolarHBondContact O-ND2 3Å; N701-F746 HydrophobicContact CB-CD1 4.12Å; N701-F746 HydrophobicContact CB-CD2 4.43Å; N701-F746 HydrophobicContact CB-CE1 4.21Å; N701-F746 HydrophobicContact CB-CG 4.24Å; N701-F746 HydrophobicContact CB-CZ 4.4Å
702S90.1Very high87.3Confident82 Ų8253.3 Ų53.357%0.57325%0.254SS*.THydrogen-bonded Turntrans-91-11.5177.9580000114.6E700 R704E700-S702 PolarHBondContact O-N 3.38Å; S702-R704 PolarHBondContact O-N 3.46Å
703D91.3Very high89.2Confident9 Ų950.1 Ų50.15%0.04823%0.234CC..  trans-74.7123.4-173.8-77.3-35.5000112.5L699 E700 D707 K711 N744 A745L699-D703 WeakPolarHBondContact CA-OD2 3.33Å; L699-D703 HydrophobicContact CD1-CB 3.61Å; E700-D703 PolarHBondContact N-OD2 3.22Å; E700-D703 WeakPolarHBondContact O-CB 3.49Å; E700-D703 PolarHBondContact O-N 2.98Å; D703-D707 HydrophobicContact CB-CB 4.23Å; D703-K711 WeakPolarHBondContact OD1-CE 3.49Å; D703-K711 IonicContact OD1-NZ 2.64Å; D703-K711 PolarHBondContact OD1-NZ 2.79Å; D703-K711 IonicContact OD2-NZ 3.45Å; D703-K711 PolarHBondContact OD2-NZ 2.82Å; D703-N744 PolarHBondContact O-OD1 2.96Å; D703-A745 PolarHBondContact O-N 3.15Å
704R92.5Very high90.3Very high157 Ų15753 Ų5359%0.59225%0.254SS*.BIsolated β-bridgetrans-83.6166.6165.2-57.5-175.4178.5177.4-0.7110.7S702 K706 D707 L708 V743S702-R704 PolarHBondContact O-N 3.46Å; R704-K706 PolarHBondContact O-N 3.38Å; R704-K706 VanDerWaalsContact O-N 3.14Å; R704-D707 WeakPolarHBondContact CA-OD2 3.35Å; R704-D707 VanDerWaalsContact CB-OD2 3.29Å; R704-D707 WeakPolarHBondContact CB-OD2 3.47Å; R704-D707 PolarHBondContact N-OD2 2.94Å; R704-D707 WeakPolarHBondContact O-CA 3.39Å; R704-D707 WeakPolarHBondContact O-CB 3.3Å; R704-D707 PolarHBondContact O-N 3.27Å; R704-L708 PolarHBondContact O-N 3.35Å; R704-L708 VanDerWaalsContact O-N 3.1Å; R704-V743 WeakPolarHBondContact CA-O 3.44Å
705T94.4Very high90.5Very high0 Ų052.8 Ų52.80%026%0.255CS..Hα-helixtrans-50.1-41.5177.9-53.30000113D707 L708 I709 I727 L739 P740 V743T705-D707 PolarHBondContact O-N 2.88Å; T705-L708 PolarHBondContact O-N 3.46Å; T705-I709 HydrophobicContact CG2-CD1 4.08Å; T705-I709 VanDerWaalsContact O-CG1 3.31Å; T705-I709 WeakPolarHBondContact O-CG1 3.34Å; T705-I709 PolarHBondContact O-N 3.39Å; T705-I727 HydrophobicContact CG2-CG2 3.72Å; T705-L739 HydrophobicContact CG2-CB 3.7Å; T705-P740 VanDerWaalsContact CB-O 3.27Å; T705-P740 WeakPolarHBondContact CB-O 3.22Å; T705-P740 PolarHBondContact OG1-O 3.27Å; T705-V743 PolarHBondContact N-O 2.93Å; T705-V743 PolarHBondContact OG1-O 3.24Å
706K92.5Very high90.5Very high68 Ų6850.6 Ų50.630%0.29625%0.246SC..Hα-helixtrans-66.5-32.6176.4-68.6-168.2-177.9-166.70113.7R704 I709 R710 D723R704-K706 PolarHBondContact O-N 3.38Å; R704-K706 VanDerWaalsContact O-N 3.14Å; K706-I709 PolarHBondContact O-N 2.99Å; K706-R710 WeakPolarHBondContact O-CB 3.34Å; K706-R710 WeakPolarHBondContact O-CG 3.46Å; K706-R710 PolarHBondContact O-N 2.87Å; K706-D723 WeakPolarHBondContact CE-OD1 3.39Å; K706-D723 IonicContact NZ-OD1 3.22Å; K706-D723 PolarHBondContact NZ-OD1 3.25Å
707D92.8Very high90.1Very high38 Ų3851.4 Ų51.420%0.20326%0.261CS..Hα-helixtrans-68.5-43.1176.4-53.9-54.7000110.3D703 R704 T705 I709 R710 K711D703-D707 HydrophobicContact CB-CB 4.23Å; R704-D707 WeakPolarHBondContact CA-OD2 3.35Å; R704-D707 VanDerWaalsContact CB-OD2 3.29Å; R704-D707 WeakPolarHBondContact CB-OD2 3.47Å; R704-D707 PolarHBondContact N-OD2 2.94Å; R704-D707 WeakPolarHBondContact O-CA 3.39Å; R704-D707 WeakPolarHBondContact O-CB 3.3Å; R704-D707 PolarHBondContact O-N 3.27Å; T705-D707 PolarHBondContact O-N 2.88Å; D707-I709 PolarHBondContact O-N 2.91Å; D707-R710 PolarHBondContact O-N 2.79Å; D707-R710 IonicContact OD1-CZ 3.17Å; D707-R710 IonicContact OD1-NH1 2.83Å; D707-R710 PolarHBondContact OD1-NH1 3.28Å; D707-R710 IonicContact OD1-NH2 2.69Å; D707-R710 PolarHBondContact OD1-NH2 3.33Å; D707-K711 WeakPolarHBondContact O-CB 3.19Å; D707-K711 WeakPolarHBondContact O-CG 3.34Å; D707-K711 PolarHBondContact O-N 3.36Å
708L93.8Very high89.8Confident0 Ų053 Ų530%027%0.271CS..Hα-helixtrans-60.8-43.6172.6178.259.5000111.9V676 V697 L699 R704 T705 K711 A712 I727 L739 A745 F757V676-L708 HydrophobicContact CG2-CD1 3.72Å; V697-L708 HydrophobicContact CB-CD1 4.19Å; V697-L708 HydrophobicContact CG1-CD1 3.77Å; L699-L708 HydrophobicContact CD1-CB 4.28Å; L699-L708 HydrophobicContact CD1-CD1 4.31Å; L699-L708 HydrophobicContact CD1-CD2 4.27Å; R704-L708 PolarHBondContact O-N 3.35Å; R704-L708 VanDerWaalsContact O-N 3.1Å; T705-L708 PolarHBondContact O-N 3.46Å; L708-K711 PolarHBondContact O-N 3.16Å; L708-A712 VanDerWaalsContact O-CB 3.32Å; L708-A712 WeakPolarHBondContact O-CB 3.25Å; L708-A712 PolarHBondContact O-N 2.97Å; L708-I727 HydrophobicContact CD2-CD1 3.8Å; L708-I727 HydrophobicContact CG-CD1 3.83Å; L708-L739 HydrophobicContact CD2-CD1 4.17Å; L708-A745 HydrophobicContact CB-CB 4.37Å; L708-A745 HydrophobicContact CD2-CB 4.15Å; L708-F757 HydrophobicContact CD2-CD1 4.47Å; L708-F757 HydrophobicContact CD2-CE1 4.39Å
709I93.7Very high89.3Confident0 Ų057.6 Ų57.60%029%0.294CS..Hα-helixtrans-61-47.4175.3-70.7167.7000110.8T705 K706 D707 A712 L713 A722 F725 I727 L759T705-I709 HydrophobicContact CG2-CD1 4.08Å; T705-I709 VanDerWaalsContact O-CG1 3.31Å; T705-I709 WeakPolarHBondContact O-CG1 3.34Å; T705-I709 PolarHBondContact O-N 3.39Å; K706-I709 PolarHBondContact O-N 2.99Å; D707-I709 PolarHBondContact O-N 2.91Å; I709-A712 PolarHBondContact O-N 3.01Å; I709-L713 HydrophobicContact CG2-CD1 3.8Å; I709-L713 HydrophobicContact CG2-CG 4.27Å; I709-L713 WeakPolarHBondContact O-CB 3.07Å; I709-L713 WeakPolarHBondContact O-CG 3.34Å; I709-L713 PolarHBondContact O-N 3.19Å; I709-A722 HydrophobicContact CB-CB 4.34Å; I709-A722 HydrophobicContact CG2-CB 3.61Å; I709-F725 HydrophobicContact CG2-CB 3.94Å; I709-I727 HydrophobicContact CD1-CB 4.44Å; I709-I727 HydrophobicContact CD1-CG2 4.21Å; I709-I727 HydrophobicContact CG1-CB 3.98Å; I709-I727 HydrophobicContact CG1-CG2 3.9Å; I709-L759 HydrophobicContact CB-CD1 4.33Å; I709-L759 HydrophobicContact CG1-CD1 3.9Å; I709-L759 HydrophobicContact CG2-CD1 3.99Å
710R93Very high88.9Confident118 Ų11860.3 Ų60.345%0.44531%0.313SS..Hα-helixtrans-60.3-48.4177.1-78.9-172.7-10594.34.3111.6K706 D707 A712 L713 V714 A722K706-R710 WeakPolarHBondContact O-CB 3.34Å; K706-R710 WeakPolarHBondContact O-CG 3.46Å; K706-R710 PolarHBondContact O-N 2.87Å; D707-R710 PolarHBondContact O-N 2.79Å; D707-R710 IonicContact OD1-CZ 3.17Å; D707-R710 IonicContact OD1-NH1 2.83Å; D707-R710 PolarHBondContact OD1-NH1 3.28Å; D707-R710 IonicContact OD1-NH2 2.69Å; D707-R710 PolarHBondContact OD1-NH2 3.33Å; R710-A712 VanDerWaalsContact C-N 3.26Å; R710-A712 PolarHBondContact O-N 3.14Å; R710-L713 PolarHBondContact O-N 3.22Å; R710-V714 WeakPolarHBondContact O-CG2 3.17Å; R710-V714 PolarHBondContact O-N 2.85Å; R710-A722 HydrophobicContact CG-CB 3.56Å
711K93Very high88.8Confident67 Ų6761.7 Ų61.729%0.29132%0.322SS..Hα-helixtrans-59-38.1176.6-73174.8168.81770111.3V697 K698 E700 D703 D707 L708 K715V697-K711 HydrophobicContact CG1-CB 3.43Å; V697-K711 VanDerWaalsContact CG1-CB 3.43Å; V697-K711 HydrophobicContact CG1-CD 4.05Å; V697-K711 HydrophobicContact CG1-CG 4.32Å; K698-K711 PolarHBondContact O-NZ 3.27Å; E700-K711 IonicContact OE2-NZ 2.79Å; E700-K711 PolarHBondContact OE2-NZ 3.31Å; D703-K711 WeakPolarHBondContact OD1-CE 3.49Å; D703-K711 IonicContact OD1-NZ 2.64Å; D703-K711 PolarHBondContact OD1-NZ 2.79Å; D703-K711 IonicContact OD2-NZ 3.45Å; D703-K711 PolarHBondContact OD2-NZ 2.82Å; D707-K711 WeakPolarHBondContact O-CB 3.19Å; D707-K711 WeakPolarHBondContact O-CG 3.34Å; D707-K711 PolarHBondContact O-N 3.36Å; L708-K711 PolarHBondContact O-N 3.16Å; K711-K715 WeakPolarHBondContact O-CB 3.47Å; K711-K715 PolarHBondContact O-N 2.97Å
712A91.4Very high88.7Confident0 Ų058.9 Ų58.90%031%0.308CS..Hα-helixtrans-69.1-46.4175.800000113.1V678 V697 L708 I709 R710 K715 H716 L759V678-A712 HydrophobicContact CB-CB 4.17Å; V678-A712 HydrophobicContact CG1-CB 3.84Å; V678-A712 HydrophobicContact CG2-CB 4.13Å; V697-A712 HydrophobicContact CG2-CB 4.26Å; L708-A712 VanDerWaalsContact O-CB 3.32Å; L708-A712 WeakPolarHBondContact O-CB 3.25Å; L708-A712 PolarHBondContact O-N 2.97Å; I709-A712 PolarHBondContact O-N 3.01Å; R710-A712 VanDerWaalsContact C-N 3.26Å; R710-A712 PolarHBondContact O-N 3.14Å; A712-K715 PolarHBondContact O-N 2.89Å; A712-H716 WeakPolarHBondContact O-CB 3.44Å; A712-H716 PolarHBondContact O-CD2 3.27Å; A712-H716 VanDerWaalsContact O-CD2 3.25Å; A712-H716 PolarHBondContact O-N 2.77Å; A712-L759 HydrophobicContact CB-CD2 4.35Å
713L90.4Very high88.6Confident5 Ų558.5 Ų58.53%0.02630%0.299CS..Hα-helixtrans-59.2-48.5178.1-74.4170.2000111.5I709 R710 K715 H716 G717 V718 A722 F725 L759I709-L713 HydrophobicContact CG2-CD1 3.8Å; I709-L713 HydrophobicContact CG2-CG 4.27Å; I709-L713 WeakPolarHBondContact O-CB 3.07Å; I709-L713 WeakPolarHBondContact O-CG 3.34Å; I709-L713 PolarHBondContact O-N 3.19Å; R710-L713 PolarHBondContact O-N 3.22Å; L713-K715 VanDerWaalsContact C-N 3.32Å; L713-K715 PolarHBondContact O-N 3.21Å; L713-H716 CarbonylContact O-C 3.58Å; L713-H716 PolarHBondContact O-N 3.39Å; L713-G717 PolarHBondContact O-N 3.42Å; L713-V718 HydrophobicContact CD2-CB 3.81Å; L713-V718 HydrophobicContact CD2-CG1 3.77Å; L713-V718 PolarHBondContact O-N 2.76Å; L713-A722 HydrophobicContact CD1-CB 4.24Å; L713-F725 HydrophobicContact CD1-CD2 3.91Å; L713-F725 HydrophobicContact CD1-CE2 4.16Å; L713-F725 HydrophobicContact CD1-CG 4.46Å; L713-F725 HydrophobicContact CD2-CD1 4.15Å; L713-F725 HydrophobicContact CD2-CD2 4.07Å; L713-F725 HydrophobicContact CD2-CE1 3.93Å; L713-F725 HydrophobicContact CD2-CE2 3.89Å; L713-F725 HydrophobicContact CD2-CG 4.22Å; L713-F725 HydrophobicContact CD2-CZ 3.81Å; L713-L759 HydrophobicContact CD2-CD2 3.63Å; L713-L759 HydrophobicContact CG-CD2 3.95Å
714V88Confident88.4Confident121 Ų12161.8 Ų61.873%0.73331%0.314SS*.Hα-helixtrans-58-46.2176.2170.90000110.7R710 H716 G717R710-V714 WeakPolarHBondContact O-CG2 3.17Å; R710-V714 PolarHBondContact O-N 2.85Å; V714-H716 VanDerWaalsContact C-N 3.32Å; V714-H716 PolarHBondContact O-N 3.37Å; V714-G717 PolarHBondContact O-N 3.27Å; V714-G717 VanDerWaalsContact O-N 3.13Å
715K86Confident88.4Confident104 Ų10454.4 Ų54.445%0.45229%0.287SS..Hα-helixtrans-67.3-34.8-177.4-157.6171.9-176.5125.20112.4K695 S696 V697 K711 A712 L713 G717K695-K715 HydrophobicContact CB-CB 4.47Å; K695-K715 HydrophobicContact CB-CD 3.89Å; K695-K715 HydrophobicContact CB-CG 3.95Å; K695-K715 HydrophobicContact CD-CB 4.43Å; K695-K715 HydrophobicContact CD-CG 3.92Å; K695-K715 WeakPolarHBondContact CD-O 3.21Å; K695-K715 VanDerWaalsContact CE-O 3.31Å; K695-K715 WeakPolarHBondContact CE-O 3.45Å; K695-K715 PolarHBondContact NZ-O 2.69Å; S696-K715 WeakPolarHBondContact O-CD 3.36Å; S696-K715 WeakPolarHBondContact O-CE 3.33Å; S696-K715 PolarHBondContact O-NZ 3.1Å; V697-K715 HydrophobicContact CG2-CD 4.1Å; K711-K715 WeakPolarHBondContact O-CB 3.47Å; K711-K715 PolarHBondContact O-N 2.97Å; A712-K715 PolarHBondContact O-N 2.89Å; L713-K715 VanDerWaalsContact C-N 3.32Å; L713-K715 PolarHBondContact O-N 3.21Å; K715-G717 VanDerWaalsContact C-N 3.3Å
716H83.4Confident88.3Confident21 Ų2154.8 Ų54.810%0.09729%0.289CS..Hα-helixtrans-80.2-5.8175.4-79-68.9000114.1V678 L680 A712 L713 V714 V718V678-H716 PolarHBondContact O-CE1 3.14Å; V678-H716 PolarHBondContact O-NE2 3.48Å; L680-H716 HydrophobicContact CD1-CB 4.03Å; L680-H716 HydrophobicContact CD2-CB 4.26Å; L680-H716 HydrophobicContact CG-CB 4.26Å; A712-H716 WeakPolarHBondContact O-CB 3.44Å; A712-H716 PolarHBondContact O-CD2 3.27Å; A712-H716 VanDerWaalsContact O-CD2 3.25Å; A712-H716 PolarHBondContact O-N 2.77Å; L713-H716 CarbonylContact O-C 3.58Å; L713-H716 PolarHBondContact O-N 3.39Å; V714-H716 VanDerWaalsContact C-N 3.32Å; V714-H716 PolarHBondContact O-N 3.37Å; H716-V718 VanDerWaalsContact C-N 3.28Å; H716-V718 HydrophobicContact CB-CG2 4.14Å
717G81.1Confident88.4Confident64 Ų6451.6 Ų51.666%0.6628%0.275SS*.THydrogen-bonded Turntrans73.418.7-17900000113.7L713 V714 K715L713-G717 PolarHBondContact O-N 3.42Å; V714-G717 PolarHBondContact O-N 3.27Å; V714-G717 VanDerWaalsContact O-N 3.13Å; K715-G717 VanDerWaalsContact C-N 3.3Å
718V82.2Confident88.4Confident39 Ų3949.8 Ų49.824%0.23627%0.266CS..  trans-90.5107.8179.8-178.70000109L680 L713 H716 S720 F725L680-V718 HydrophobicContact CD1-CG2 4.08Å; L680-V718 HydrophobicContact CD2-CG2 4.4Å; L713-V718 HydrophobicContact CD2-CB 3.81Å; L713-V718 HydrophobicContact CD2-CG1 3.77Å; L713-V718 PolarHBondContact O-N 2.76Å; H716-V718 VanDerWaalsContact C-N 3.28Å; H716-V718 HydrophobicContact CB-CG2 4.14Å; V718-S720 PolarHBondContact O-N 3.27Å; V718-F725 HydrophobicContact CG1-CZ 4.23Å
719Q78.4Confident88.4Confident195 Ų19549.8 Ų49.891%0.91127%0.266SS*.  trans-80.994.3172-68.3-163.2-6.700110.1
720S81.6Confident88.2Confident56 Ų5652.3 Ų52.339%0.39228%0.279SS..SBendtrans-154.3161.2171.1-75.50000110.6V718 F725V718-S720 PolarHBondContact O-N 3.27Å; S720-F725 VanDerWaalsContact CB-CE2 3.46Å
721N85.9Confident88Confident88 Ų8848.4 Ų48.447%0.47127%0.266SS..  trans-70.8131.8176.4-174-3.2000110.2D723 Q724 F725N721-D723 PolarHBondContact ND2-OD2 2.83Å; N721-D723 PolarHBondContact O-N 3.41Å; N721-D723 VanDerWaalsContact O-N 3.09Å; N721-D723 PolarHBondContact OD1-N 3.24Å; N721-D723 PolarHBondContact OD1-OD2 2.87Å; N721-Q724 PolarHBondContact O-N 2.89Å; N721-F725 WeakPolarHBondContact O-CD2 3.39Å
722A86.8Confident87.4Confident4 Ų450.7 Ų50.73%0.03329%0.288CS..G310 helixtrans-55-25.6176.800000113.8I709 R710 L713 Q724 F725I709-A722 HydrophobicContact CB-CB 4.34Å; I709-A722 HydrophobicContact CG2-CB 3.61Å; R710-A722 HydrophobicContact CG-CB 3.56Å; L713-A722 HydrophobicContact CD1-CB 4.24Å; A722-Q724 PolarHBondContact O-N 3.2Å; A722-F725 PolarHBondContact O-N 2.86Å; A722-F725 VanDerWaalsContact O-N 3.11Å
723D87.5Confident87Confident74 Ų7455.7 Ų55.740%0.39632%0.315SS..G310 helixtrans-62.7-24.6177.7-64.6-36.8000113.5K706 N721 F725K706-D723 WeakPolarHBondContact CE-OD1 3.39Å; K706-D723 IonicContact NZ-OD1 3.22Å; K706-D723 PolarHBondContact NZ-OD1 3.25Å; N721-D723 PolarHBondContact ND2-OD2 2.83Å; N721-D723 PolarHBondContact O-N 3.41Å; N721-D723 VanDerWaalsContact O-N 3.09Å; N721-D723 PolarHBondContact OD1-N 3.24Å; N721-D723 PolarHBondContact OD1-OD2 2.87Å; D723-F725 VanDerWaalsContact C-N 3.25Å; D723-F725 PolarHBondContact O-N 3.03Å
724Q88.7Confident86.5Confident79 Ų7958.1 Ų58.137%0.36934%0.341SS..G310 helixtrans-81.9-0.1178.1-59.5-177.115.400113.3N721 A722 R761 K762N721-Q724 PolarHBondContact O-N 2.89Å; A722-Q724 PolarHBondContact O-N 3.2Å; Q724-R761 CarbonylContact O-C 3.52Å; Q724-R761 WeakPolarHBondContact O-CA 3.14Å; Q724-R761 WeakPolarHBondContact O-CG 3.39Å; Q724-R761 VanDerWaalsContact OE1-NH2 3.1Å; Q724-K762 PolarHBondContact O-N 2.72Å
725F91.7Very high86.4Confident2 Ų259.3 Ų59.31%0.00934%0.336CS..EExtended strand (participates in β ladder)trans-123.9155.3-174.7-61.7-98.7000111.6L684 I709 L713 V718 S720 N721 A722 D723 L759 R760 R761 K762L684-F725 HydrophobicContact CD1-CD1 3.89Å; L684-F725 HydrophobicContact CD1-CE1 3.58Å; L684-F725 HydrophobicContact CD2-CE1 3.64Å; L684-F725 HydrophobicContact CD2-CZ 4.31Å; L684-F725 HydrophobicContact CG-CE1 4.27Å; I709-F725 HydrophobicContact CG2-CB 3.94Å; L713-F725 HydrophobicContact CD1-CD2 3.91Å; L713-F725 HydrophobicContact CD1-CE2 4.16Å; L713-F725 HydrophobicContact CD1-CG 4.46Å; L713-F725 HydrophobicContact CD2-CD1 4.15Å; L713-F725 HydrophobicContact CD2-CD2 4.07Å; L713-F725 HydrophobicContact CD2-CE1 3.93Å; L713-F725 HydrophobicContact CD2-CE2 3.89Å; L713-F725 HydrophobicContact CD2-CG 4.22Å; L713-F725 HydrophobicContact CD2-CZ 3.81Å; V718-F725 HydrophobicContact CG1-CZ 4.23Å; S720-F725 VanDerWaalsContact CB-CE2 3.46Å; N721-F725 WeakPolarHBondContact O-CD2 3.39Å; A722-F725 PolarHBondContact O-N 2.86Å; A722-F725 VanDerWaalsContact O-N 3.11Å; D723-F725 VanDerWaalsContact C-N 3.25Å; D723-F725 PolarHBondContact O-N 3.03Å; F725-L759 HydrophobicContact CB-CD1 3.94Å; F725-L759 HydrophobicContact CB-CG 4.34Å; F725-L759 HydrophobicContact CD1-CD2 4.16Å; F725-L759 HydrophobicContact CD1-CG 4.07Å; F725-R760 CarbonylContact C-O 3.52Å; F725-R760 WeakPolarHBondContact CA-O 3.32Å; F725-R760 WeakPolarHBondContact CB-O 3.44Å; F725-R761 HydrophobicContact CE1-CG 4.39Å; F725-K762 VanDerWaalsContact O-CE 3.24Å; F725-K762 WeakPolarHBondContact O-CE 3.47Å
726S92.2Very high86.5Confident8 Ų861.2 Ų61.26%0.05634%0.341CS..EExtended strand (participates in β ladder)trans-129.7155.3167.449.20000108.9R760S726-R760 PolarHBondContact N-O 3.46Å; S726-R760 PolarHBondContact O-N 2.57Å; S726-R760 WeakPolarHBondContact OG-CG 3.45Å; S726-R760 PolarHBondContact OG-NE 3.17Å; S726-R760 PolarHBondContact OG-NH2 2.83Å
727I94.3Very high86.9Confident0 Ų063.5 Ų63.50%035%0.354CS..EExtended strand (participates in β ladder)trans-127.8136-177.9-162.4174.1000109.7V678 T705 L708 I709 L739 F757 I758 L759V678-I727 HydrophobicContact CG1-CD1 3.99Å; V678-I727 HydrophobicContact CG2-CD1 4.28Å; T705-I727 HydrophobicContact CG2-CG2 3.72Å; L708-I727 HydrophobicContact CD2-CD1 3.8Å; L708-I727 HydrophobicContact CG-CD1 3.83Å; I709-I727 HydrophobicContact CD1-CB 4.44Å; I709-I727 HydrophobicContact CD1-CG2 4.21Å; I709-I727 HydrophobicContact CG1-CB 3.98Å; I709-I727 HydrophobicContact CG1-CG2 3.9Å; I727-L739 HydrophobicContact CG2-CB 4.13Å; I727-L739 HydrophobicContact CG2-CD1 4.07Å; I727-L739 PolarHBondContact O-N 3.41Å; I727-F757 HydrophobicContact CD1-CB 3.92Å; I727-F757 HydrophobicContact CD1-CD1 4.11Å; I727-F757 HydrophobicContact CD1-CG 4.23Å; I727-F757 HydrophobicContact CG1-CB 3.96Å; I727-F757 HydrophobicContact CG1-CD1 4.07Å; I727-F757 HydrophobicContact CG1-CG 4.42Å; I727-I758 WeakPolarHBondContact CA-O 3.18Å; I727-I758 WeakPolarHBondContact CG1-O 3.37Å; I727-L759 HydrophobicContact CB-CD1 4.08Å; I727-L759 HydrophobicContact CD1-CD1 4.48Å; I727-L759 HydrophobicContact CG1-CD1 4.31Å
728A93.1Very high87.3Confident0 Ų064.7 Ų64.70%034%0.342CS..EExtended strand (participates in β ladder)trans-128.1137.6178.500000110.7R736 L737 E738 F757 I758A728-R736 HydrophobicContact CB-CB 4.28Å; A728-L737 CarbonylContact C-O 3.46Å; A728-L737 VanDerWaalsContact CA-O 3.26Å; A728-L737 WeakPolarHBondContact CA-O 3.3Å; A728-E738 HydrophobicContact CB-CG 4.34Å; A728-F757 CarbonylContact O-C 3.49Å; A728-F757 WeakPolarHBondContact O-CA 3.41Å; A728-I758 HydrophobicContact CB-CG2 4.1Å; A728-I758 PolarHBondContact N-O 2.96Å; A728-I758 PolarHBondContact O-N 2.76Å
729Q93.7Very high87.7Confident0 Ų063.2 Ų63.20%033%0.332CS..EExtended strand (participates in β ladder)trans-80.2132.3173.4-166.8-178.91000110.4R736 L737 S750 M756 F757Q729-R736 CarbonylContact O-C 3.59Å; Q729-R736 WeakPolarHBondContact O-CA 3.31Å; Q729-L737 HydrophobicContact CB-CB 4.33Å; Q729-L737 PolarHBondContact N-O 2.96Å; Q729-L737 PolarHBondContact O-N 3.22Å; Q729-S750 PolarHBondContact NE2-O 2.87Å; Q729-M756 CarbonylContact C-O 3.08Å; Q729-M756 WeakPolarHBondContact CA-O 3.41Å; Q729-M756 VanDerWaalsContact CG-O 3.31Å; Q729-M756 WeakPolarHBondContact CG-O 3.41Å; Q729-F757 HydrophobicContact CB-CD1 3.88Å; Q729-F757 HydrophobicContact CB-CE1 3.53Å; Q729-F757 HydrophobicContact CB-CZ 3.98Å; Q729-F757 HydrophobicContact CG-CD1 4.29Å; Q729-F757 HydrophobicContact CG-CE1 3.83Å; Q729-F757 HydrophobicContact CG-CE2 4.16Å; Q729-F757 HydrophobicContact CG-CZ 3.73Å
730I91Very high88.2Confident54 Ų5457.5 Ų57.528%0.27731%0.313SS..EExtended strand (participates in β ladder)trans-88.1112.7172.4-53.6173000107.7M756 I758I730-M756 HydrophobicContact CB-CB 4.17Å; I730-M756 PolarHBondContact N-O 2.97Å; I730-I758 HydrophobicContact CD1-CB 4.38Å; I730-I758 HydrophobicContact CG1-CG2 4.49Å
731L88.2Confident88.3Confident35 Ų3557.8 Ų57.818%0.18331%0.31CS..  trans-81.7159.2179.8-63.1176.4000111.2N733 G734 K735 L737L731-N733 VanDerWaalsContact CB-OD1 3.28Å; L731-N733 WeakPolarHBondContact CB-OD1 3.16Å; L731-N733 PolarHBondContact O-N 3.24Å; L731-G734 PolarHBondContact O-N 3.27Å; L731-K735 PolarHBondContact N-O 3.34Å; L731-L737 HydrophobicContact CD1-CB 4.25Å; L731-L737 HydrophobicContact CG-CB 4.39Å
732P80.9Confident88.1Confident116 Ų11664.2 Ų64.275%0.75333%0.327SS*.THydrogen-bonded Turntrans-57.6-23.7-179.9-25.334.2000114.9G734 C752P732-G734 VanDerWaalsContact C-N 3.27Å; P732-G734 PolarHBondContact O-N 2.83Å; P732-C752 HydrophobicContact CG-CB 3.9Å
733N83.1Confident88.1Confident105 Ų10566.8 Ų66.856%0.56134%0.342SS*.THydrogen-bonded Turntrans-84.57.3176.264.44.2000113.7L731 K735L731-N733 VanDerWaalsContact CB-OD1 3.28Å; L731-N733 WeakPolarHBondContact CB-OD1 3.16Å; L731-N733 PolarHBondContact O-N 3.24Å; N733-K735 PolarHBondContact O-N 2.65Å; N733-K735 WeakPolarHBondContact OD1-CB 3.18Å; N733-K735 PolarHBondContact OD1-N 3.01Å
734G80Confident88.3Confident56 Ų5665.4 Ų65.458%0.57734%0.335SS*.SBendtrans78.8-7.9-178.700000115.1L731 P732L731-G734 PolarHBondContact O-N 3.27Å; P732-G734 VanDerWaalsContact C-N 3.27Å; P732-G734 PolarHBondContact O-N 2.83Å
735K85.3Confident88.4Confident145 Ų14561.7 Ų61.763%0.6332%0.318SS*.  trans-71151.3174.7-62.5-173.2178.2-177.40110.5L731 N733L731-K735 PolarHBondContact N-O 3.34Å; N733-K735 PolarHBondContact O-N 2.65Å; N733-K735 WeakPolarHBondContact OD1-CB 3.18Å; N733-K735 PolarHBondContact OD1-N 3.01Å
736R88.6Confident88.3Confident144 Ų14462.6 Ų62.654%0.54332%0.322SS..EExtended strand (participates in β ladder)trans-104.3126.3176.5-61.7-177.8-176-170.80.6109.7A728 Q729A728-R736 HydrophobicContact CB-CB 4.28Å; Q729-R736 CarbonylContact O-C 3.59Å; Q729-R736 WeakPolarHBondContact O-CA 3.31Å
737L90.2Very high88.2Confident70 Ų7070.2 Ų70.237%0.36635%0.35SS..EExtended strand (participates in β ladder)trans-101.5107.2173.7177.268.3000108.8A728 Q729 L731A728-L737 CarbonylContact C-O 3.46Å; A728-L737 VanDerWaalsContact CA-O 3.26Å; A728-L737 WeakPolarHBondContact CA-O 3.3Å; Q729-L737 HydrophobicContact CB-CB 4.33Å; Q729-L737 PolarHBondContact N-O 2.96Å; Q729-L737 PolarHBondContact O-N 3.22Å; L731-L737 HydrophobicContact CD1-CB 4.25Å; L731-L737 HydrophobicContact CG-CB 4.39Å
738E90.3Very high87.9Confident89 Ų8971.7 Ų71.742%0.41636%0.363SS..EExtended strand (participates in β ladder)trans-72.4127.8178.3-60.7-116.7116.600110.9A728 P740 R760A728-E738 HydrophobicContact CB-CG 4.34Å; E738-P740 WeakPolarHBondContact O-CD 3.16Å; E738-R760 VanDerWaalsContact CD-CZ 3.43Å; E738-R760 IonicContact OE1-CZ 3.86Å; E738-R760 IonicContact OE1-NE 3.81Å; E738-R760 PolarHBondContact OE1-NE 3.36Å; E738-R760 IonicContact OE1-NH1 3.13Å; E738-R760 PolarHBondContact OE1-NH1 3.09Å; E738-R760 IonicContact OE1-NH2 2.64Å; E738-R760 PolarHBondContact OE1-NH2 3.01Å; E738-R760 IonicContact OE2-CZ 3.59Å; E738-R760 IonicContact OE2-NH1 2.67Å; E738-R760 IonicContact OE2-NH2 2.88Å; E738-R760 PolarHBondContact OE2-NH2 3.44Å
739L90.9Very high87.7Confident7 Ų772.2 Ų72.24%0.03737%0.366CS..PPolyproline II helixtrans-85.1122172.9-67.3-177.5000109.6T705 L708 I727 A745 A748 V749 F757T705-L739 HydrophobicContact CG2-CB 3.7Å; L708-L739 HydrophobicContact CD2-CD1 4.17Å; I727-L739 HydrophobicContact CG2-CB 4.13Å; I727-L739 HydrophobicContact CG2-CD1 4.07Å; I727-L739 PolarHBondContact O-N 3.41Å; L739-A745 HydrophobicContact CD1-CB 4.07Å; L739-A748 HydrophobicContact CD2-CB 3.66Å; L739-V749 HydrophobicContact CD1-CG1 3.93Å; L739-V749 HydrophobicContact CD2-CG1 4.12Å; L739-F757 HydrophobicContact CD1-CD1 4.39Å; L739-F757 HydrophobicContact CD1-CE1 3.77Å; L739-F757 HydrophobicContact CG-CE1 4.46Å
740P88.3Confident87.2Confident76 Ų7674.7 Ų74.749%0.49438%0.383SS..PPolyproline II helixtrans-65.6148.5177.1-18.430.7000111.9T705 E738 R742 V743T705-P740 VanDerWaalsContact CB-O 3.27Å; T705-P740 WeakPolarHBondContact CB-O 3.22Å; T705-P740 PolarHBondContact OG1-O 3.27Å; E738-P740 WeakPolarHBondContact O-CD 3.16Å; P740-R742 PolarHBondContact O-N 2.75Å; P740-V743 HydrophobicContact CB-CG2 3.81Å; P740-V743 HydrophobicContact CG-CG2 3.9Å; P740-V743 PolarHBondContact O-N 3.01Å
741D83.2Confident86.6Confident62 Ų6276.9 Ų76.933%0.33240%0.401SS..THydrogen-bonded Turntrans-54.5-27-171.5-73.2-19.2000115.7K762D741-K762 IonicContact OD1-NZ 2.65Å; D741-K762 PolarHBondContact OD1-NZ 3.33Å; D741-K762 IonicContact OD2-NZ 3.13Å; D741-K762 PolarHBondContact OD2-NZ 3.48Å
742R81.8Confident86.1Confident222 Ų22276.2 Ų76.284%0.83840%0.399SS*.THydrogen-bonded Turntrans-112.43.1-171-62.1-174.4-178.4-171.80.3114.6P740P740-R742 PolarHBondContact O-N 2.75Å
743V87.9Confident85.7Confident58 Ų5878.6 Ų78.635%0.35241%0.405SS..SBendtrans-86.1152.3-175.5177.60000110.9R704 T705 P740 A745 A748R704-V743 WeakPolarHBondContact CA-O 3.44Å; T705-V743 PolarHBondContact N-O 2.93Å; T705-V743 PolarHBondContact OG1-O 3.24Å; P740-V743 HydrophobicContact CB-CG2 3.81Å; P740-V743 HydrophobicContact CG-CG2 3.9Å; P740-V743 PolarHBondContact O-N 3.01Å; V743-A745 PolarHBondContact O-N 3.22Å; V743-A748 HydrophobicContact CG1-CB 3.51Å
744N90.5Very high85.4Confident46 Ų4676.6 Ų76.625%0.24640%0.398CS..BIsolated β-bridgetrans-68.4113.2168.4-175-40.7000108.7N701 D703 F746 Y747 A748N701-N744 PolarHBondContact O-ND2 3Å; D703-N744 PolarHBondContact O-OD1 2.96Å; N744-F746 VanDerWaalsContact C-N 3.27Å; N744-F746 PolarHBondContact O-N 3.4Å; N744-F746 VanDerWaalsContact OD1-CB 3.28Å; N744-F746 WeakPolarHBondContact OD1-CB 3.44Å; N744-F746 PolarHBondContact OD1-N 3.37Å; N744-Y747 HydrophobicContact CB-CD2 4.04Å; N744-Y747 VanDerWaalsContact CG-CD2 3.48Å; N744-Y747 PolarHBondContact O-N 2.81Å; N744-A748 WeakPolarHBondContact O-CB 3.45Å; N744-A748 PolarHBondContact O-N 3.05Å; N744-A748 VanDerWaalsContact O-N 3.16Å
745A90.5Very high85.8Confident0 Ų074.8 Ų74.80%038%0.375CS..Hα-helixtrans-67.9-29.4-174.100000111.5L699 D703 L708 L739 V743 Y747 A748 V749L699-A745 HydrophobicContact CD1-CB 3.74Å; D703-A745 PolarHBondContact O-N 3.15Å; L708-A745 HydrophobicContact CB-CB 4.37Å; L708-A745 HydrophobicContact CD2-CB 4.15Å; L739-A745 HydrophobicContact CD1-CB 4.07Å; V743-A745 PolarHBondContact O-N 3.22Å; A745-Y747 VanDerWaalsContact C-N 3.33Å; A745-Y747 PolarHBondContact O-N 3.33Å; A745-A748 PolarHBondContact O-N 2.85Å; A745-V749 WeakPolarHBondContact O-CG1 3.43Å; A745-V749 WeakPolarHBondContact O-CG2 3.47Å; A745-V749 PolarHBondContact O-N 3.34Å
746F90Very high86Confident21 Ų2169.5 Ų69.59%0.09235%0.353CS..Hα-helixtrans-62.6-37.5178.2-176-90.6000113.2Y674 L699 E700 N701 N744 V749Y674-F746 AromaticContact CD2-CD2 3.5Å; Y674-F746 HydrophobicContact CD2-CD2 3.5Å; Y674-F746 VanDerWaalsContact CD2-CD2 3.5Å; Y674-F746 AromaticContact CD2-CE2 3.36Å; Y674-F746 HydrophobicContact CD2-CE2 3.36Å; Y674-F746 HydrophobicContact CD2-CG 4.26Å; Y674-F746 HydrophobicContact CD2-CZ 4.05Å; Y674-F746 HydrophobicContact CE2-CD1 4.27Å; Y674-F746 AromaticContact CE2-CD2 3.68Å; Y674-F746 HydrophobicContact CE2-CD2 3.68Å; Y674-F746 AromaticContact CE2-CE1 3.99Å; Y674-F746 HydrophobicContact CE2-CE1 3.99Å; Y674-F746 AromaticContact CE2-CE2 3.34Å; Y674-F746 HydrophobicContact CE2-CE2 3.34Å; Y674-F746 HydrophobicContact CE2-CG 4.13Å; Y674-F746 AromaticContact CE2-CZ 3.52Å; Y674-F746 HydrophobicContact CE2-CZ 3.52Å; Y674-F746 HydrophobicContact CG-CD2 4.5Å; Y674-F746 HydrophobicContact CG-CE2 4.14Å; Y674-F746 AromaticContact CZ-CZ 3.96Å; L699-F746 HydrophobicContact CG-CB 4.39Å; L699-F746 HydrophobicContact CG-CD2 4.42Å; E700-F746 WeakPolarHBondContact O-CB 3.46Å; N701-F746 HydrophobicContact CB-CD1 4.12Å; N701-F746 HydrophobicContact CB-CD2 4.43Å; N701-F746 HydrophobicContact CB-CE1 4.21Å; N701-F746 HydrophobicContact CB-CG 4.24Å; N701-F746 HydrophobicContact CB-CZ 4.4Å; N744-F746 VanDerWaalsContact C-N 3.27Å; N744-F746 PolarHBondContact O-N 3.4Å; N744-F746 VanDerWaalsContact OD1-CB 3.28Å; N744-F746 WeakPolarHBondContact OD1-CB 3.44Å; N744-F746 PolarHBondContact OD1-N 3.37Å; F746-V749 WeakPolarHBondContact O-CG2 3.3Å
747Y90.2Very high86.2Confident168 Ų16862.7 Ų62.766%0.65933%0.327SS*.Hα-helixtrans-92.3-20-179.4-61.7-69.5000114N744 A745N744-Y747 HydrophobicContact CB-CD2 4.04Å; N744-Y747 VanDerWaalsContact CG-CD2 3.48Å; N744-Y747 PolarHBondContact O-N 2.81Å; A745-Y747 VanDerWaalsContact C-N 3.33Å; A745-Y747 PolarHBondContact O-N 3.33Å
748A88.8Confident86.3Confident31 Ų3160 Ų6026%0.25631%0.313SS..Hα-helixtrans-86.3-9-178.600000114.1L739 V743 N744 A745L739-A748 HydrophobicContact CD2-CB 3.66Å; V743-A748 HydrophobicContact CG1-CB 3.51Å; N744-A748 WeakPolarHBondContact O-CB 3.45Å; N744-A748 PolarHBondContact O-N 3.05Å; N744-A748 VanDerWaalsContact O-N 3.16Å; A745-A748 PolarHBondContact O-N 2.85Å
749V88Confident86.3Confident12 Ų1255.7 Ų55.77%0.07329%0.293CS..SBendtrans-88141.9-179-64.70000111.1Y674 L699 L739 A745 F746 P751 M755 F757Y674-V749 HydrophobicContact CD2-CG2 4.38Å; Y674-V749 HydrophobicContact CE2-CG2 4.48Å; L699-V749 HydrophobicContact CD2-CG1 4.3Å; L699-V749 HydrophobicContact CD2-CG2 4.07Å; L739-V749 HydrophobicContact CD1-CG1 3.93Å; L739-V749 HydrophobicContact CD2-CG1 4.12Å; A745-V749 WeakPolarHBondContact O-CG1 3.43Å; A745-V749 WeakPolarHBondContact O-CG2 3.47Å; A745-V749 PolarHBondContact O-N 3.34Å; F746-V749 WeakPolarHBondContact O-CG2 3.3Å; V749-P751 WeakPolarHBondContact O-CD 3.47Å; V749-M755 HydrophobicContact CB-SD 4.48Å; V749-M755 HydrophobicContact CG2-SD 4.07Å; V749-F757 HydrophobicContact CB-CZ 4.02Å; V749-F757 HydrophobicContact CG1-CE1 3.63Å; V749-F757 HydrophobicContact CG1-CZ 3.31Å
750S84.6Confident86.3Confident52 Ų5259.2 Ų59.236%0.36431%0.306SS..  trans-78.5120.6172.4-176.40000109.1Q729 C752Q729-S750 PolarHBondContact NE2-O 2.87Å; S750-C752 VanDerWaalsContact C-N 3.34Å; S750-C752 PolarHBondContact O-N 3.42Å
751P78.1Confident86.3Confident100 Ų10062.4 Ų62.465%0.64931%0.308SS*.  trans-72.385.4-178.627.3-32.9000111.4V749 M755V749-P751 WeakPolarHBondContact O-CD 3.47Å; P751-M755 HydrophobicContact CB-CE 4.17Å
752C77.9Confident86.4Confident21 Ų2162.6 Ų62.614%0.14231%0.306CS..  trans-109.8151170.760.30000110.1P732 S750 P754 M755P732-C752 HydrophobicContact CG-CB 3.9Å; S750-C752 VanDerWaalsContact C-N 3.34Å; S750-C752 PolarHBondContact O-N 3.42Å; C752-P754 CarbonylContact O-C 3.56Å; C752-P754 VanDerWaalsContact O-C 3.27Å; C752-M755 WeakPolarHBondContact O-CG 3.49Å; C752-M755 PolarHBondContact O-N 3.25Å
753N72.6Confident85.7Confident165 Ų16561 Ų6188%0.88231%0.308SS*.SBendtrans-118.4113.8177.7-156-1.8000109.5
754P76.5Confident84.1Confident64 Ų6466.1 Ų66.142%0.41633%0.332SS..SBendcis-80142.72.632.2-33.6000114K677 C752 M756K677-P754 HydrophobicContact CD-CB 4.48Å; C752-P754 CarbonylContact O-C 3.56Å; C752-P754 VanDerWaalsContact O-C 3.27Å; P754-M756 HydrophobicContact CB-CG 4.32Å; P754-M756 HydrophobicContact CG-CG 4.1Å; P754-M756 HydrophobicContact CG-SD 4.41Å; P754-M756 PolarHBondContact O-N 3.23Å
755M87.2Confident81.6Confident18 Ų1869.3 Ų69.39%0.08936%0.357CS..  trans-77113.5168.2-68.8-167.4-138.500109.9Y674 V676 K677 V749 P751 C752 F757Y674-M755 HydrophobicContact CD1-CE 3.29Å; Y674-M755 HydrophobicContact CD2-CE 3.99Å; Y674-M755 HydrophobicContact CE1-CE 3.69Å; Y674-M755 HydrophobicContact CE2-CE 4.32Å; Y674-M755 HydrophobicContact CG-CE 3.46Å; Y674-M755 VanDerWaalsContact CG-CE 3.46Å; Y674-M755 HydrophobicContact CG-SD 4.27Å; V676-M755 HydrophobicContact CB-CB 4.49Å; V676-M755 HydrophobicContact CG1-CB 4.11Å; V676-M755 HydrophobicContact CG1-SD 4.1Å; K677-M755 PolarHBondContact N-O 3.21Å; V749-M755 HydrophobicContact CB-SD 4.48Å; V749-M755 HydrophobicContact CG2-SD 4.07Å; P751-M755 HydrophobicContact CB-CE 4.17Å; C752-M755 WeakPolarHBondContact O-CG 3.49Å; C752-M755 PolarHBondContact O-N 3.25Å; M755-F757 HydrophobicContact CB-CE2 4.02Å
756M90.2Very high78.6Confident34 Ų3474.2 Ų74.217%0.16739%0.392CS..EExtended strand (participates in β ladder)trans-113.9137.2-174.5-64.7-83.7-66.400109.9K677 Y694 Q729 I730 P754K677-M756 HydrophobicContact CB-SD 3.93Å; K677-M756 HydrophobicContact CD-SD 3.76Å; K677-M756 CarbonylContact O-C 3.49Å; K677-M756 WeakPolarHBondContact O-CA 3.46Å; Y694-M756 HydrophobicContact CD1-CE 3.48Å; Y694-M756 VanDerWaalsContact CD1-CE 3.48Å; Y694-M756 HydrophobicContact CD1-SD 4.08Å; Y694-M756 HydrophobicContact CE1-CE 3.15Å; Y694-M756 HydrophobicContact CE1-SD 4.27Å; Q729-M756 CarbonylContact C-O 3.08Å; Q729-M756 WeakPolarHBondContact CA-O 3.41Å; Q729-M756 VanDerWaalsContact CG-O 3.31Å; Q729-M756 WeakPolarHBondContact CG-O 3.41Å; I730-M756 HydrophobicContact CB-CB 4.17Å; I730-M756 PolarHBondContact N-O 2.97Å; P754-M756 HydrophobicContact CB-CG 4.32Å; P754-M756 HydrophobicContact CG-CG 4.1Å; P754-M756 HydrophobicContact CG-SD 4.41Å; P754-M756 PolarHBondContact O-N 3.23Å
757F93.1Very high75.9Confident0 Ų079.2 Ų79.20%043%0.426CS..EExtended strand (participates in β ladder)trans-131.9150.6179.3-67.3-97.6000110.5V676 K677 V678 T679 L708 I727 A728 Q729 L739 V749 M755V676-F757 HydrophobicContact CB-CD2 3.76Å; V676-F757 HydrophobicContact CB-CE2 3.54Å; V676-F757 HydrophobicContact CG1-CD2 4.3Å; V676-F757 HydrophobicContact CG1-CE2 3.56Å; V676-F757 HydrophobicContact CG1-CZ 4.3Å; V676-F757 HydrophobicContact CG2-CD2 4.27Å; V676-F757 HydrophobicContact CG2-CE2 4.26Å; K677-F757 PolarHBondContact O-N 3.44Å; V678-F757 CarbonylContact C-O 3.54Å; V678-F757 WeakPolarHBondContact CA-O 3.36Å; V678-F757 HydrophobicContact CB-CB 4.47Å; V678-F757 HydrophobicContact CG1-CB 4.3Å; V678-F757 HydrophobicContact CG2-CB 4.17Å; T679-F757 PolarHBondContact N-O 3.33Å; L708-F757 HydrophobicContact CD2-CD1 4.47Å; L708-F757 HydrophobicContact CD2-CE1 4.39Å; I727-F757 HydrophobicContact CD1-CB 3.92Å; I727-F757 HydrophobicContact CD1-CD1 4.11Å; I727-F757 HydrophobicContact CD1-CG 4.23Å; I727-F757 HydrophobicContact CG1-CB 3.96Å; I727-F757 HydrophobicContact CG1-CD1 4.07Å; I727-F757 HydrophobicContact CG1-CG 4.42Å; A728-F757 CarbonylContact O-C 3.49Å; A728-F757 WeakPolarHBondContact O-CA 3.41Å; Q729-F757 HydrophobicContact CB-CD1 3.88Å; Q729-F757 HydrophobicContact CB-CE1 3.53Å; Q729-F757 HydrophobicContact CB-CZ 3.98Å; Q729-F757 HydrophobicContact CG-CD1 4.29Å; Q729-F757 HydrophobicContact CG-CE1 3.83Å; Q729-F757 HydrophobicContact CG-CE2 4.16Å; Q729-F757 HydrophobicContact CG-CZ 3.73Å; L739-F757 HydrophobicContact CD1-CD1 4.39Å; L739-F757 HydrophobicContact CD1-CE1 3.77Å; L739-F757 HydrophobicContact CG-CE1 4.46Å; V749-F757 HydrophobicContact CB-CZ 4.02Å; V749-F757 HydrophobicContact CG1-CE1 3.63Å; V749-F757 HydrophobicContact CG1-CZ 3.31Å; M755-F757 HydrophobicContact CB-CE2 4.02Å
758I91Very high73.2Confident13 Ų1380.5 Ų80.57%0.06744%0.438CS..EExtended strand (participates in β ladder)trans-119.4129.4170.5-168.4167.7000109.2T679 D681 I727 A728 I730T679-I758 CarbonylContact O-C 3.52Å; T679-I758 WeakPolarHBondContact O-CA 3.13Å; D681-I758 HydrophobicContact CB-CD1 4.17Å; D681-I758 HydrophobicContact CB-CG1 4.16Å; I727-I758 WeakPolarHBondContact CA-O 3.18Å; I727-I758 WeakPolarHBondContact CG1-O 3.37Å; A728-I758 HydrophobicContact CB-CG2 4.1Å; A728-I758 PolarHBondContact N-O 2.96Å; A728-I758 PolarHBondContact O-N 2.76Å; I730-I758 HydrophobicContact CD1-CB 4.38Å; I730-I758 HydrophobicContact CG1-CG2 4.49Å
759L91.8Very high70.4Confident0 Ų082.4 Ų82.40%046%0.461CS..EExtended strand (participates in β ladder)trans-99125.4175.6-173.574.1000108.8V678 T679 L680 D681 I709 A712 L713 F725 I727V678-L759 HydrophobicContact CG1-CB 3.95Å; T679-L759 PolarHBondContact O-N 3.1Å; L680-L759 HydrophobicContact CD2-CB 4.36Å; L680-L759 HydrophobicContact CD2-CD2 3.87Å; D681-L759 WeakPolarHBondContact CB-O 3.34Å; D681-L759 PolarHBondContact N-O 3.17Å; I709-L759 HydrophobicContact CB-CD1 4.33Å; I709-L759 HydrophobicContact CG1-CD1 3.9Å; I709-L759 HydrophobicContact CG2-CD1 3.99Å; A712-L759 HydrophobicContact CB-CD2 4.35Å; L713-L759 HydrophobicContact CD2-CD2 3.63Å; L713-L759 HydrophobicContact CG-CD2 3.95Å; F725-L759 HydrophobicContact CB-CD1 3.94Å; F725-L759 HydrophobicContact CB-CG 4.34Å; F725-L759 HydrophobicContact CD1-CD2 4.16Å; F725-L759 HydrophobicContact CD1-CG 4.07Å; I727-L759 HydrophobicContact CB-CD1 4.08Å; I727-L759 HydrophobicContact CD1-CD1 4.48Å; I727-L759 HydrophobicContact CG1-CD1 4.31Å
760R90Very high67.7Low80 Ų8086.4 Ų86.430%0.30250%0.495SS..EExtended strand (participates in β ladder)trans-129.8153-177.767.6-178.3-170.9170.68.8111D681 F725 S726 E738D681-R760 HydrophobicContact CB-CB 3.88Å; F725-R760 CarbonylContact C-O 3.52Å; F725-R760 WeakPolarHBondContact CA-O 3.32Å; F725-R760 WeakPolarHBondContact CB-O 3.44Å; S726-R760 PolarHBondContact N-O 3.46Å; S726-R760 PolarHBondContact O-N 2.57Å; S726-R760 WeakPolarHBondContact OG-CG 3.45Å; S726-R760 PolarHBondContact OG-NE 3.17Å; S726-R760 PolarHBondContact OG-NH2 2.83Å; E738-R760 VanDerWaalsContact CD-CZ 3.43Å; E738-R760 IonicContact OE1-CZ 3.86Å; E738-R760 IonicContact OE1-NE 3.81Å; E738-R760 PolarHBondContact OE1-NE 3.36Å; E738-R760 IonicContact OE1-NH1 3.13Å; E738-R760 PolarHBondContact OE1-NH1 3.09Å; E738-R760 IonicContact OE1-NH2 2.64Å; E738-R760 PolarHBondContact OE1-NH2 3.01Å; E738-R760 IonicContact OE2-CZ 3.59Å; E738-R760 IonicContact OE2-NH1 2.67Å; E738-R760 IonicContact OE2-NH2 2.88Å; E738-R760 PolarHBondContact OE2-NH2 3.44Å
761R88.3Confident65.2Low143 Ų14390.4 Ų90.454%0.5451%0.512SS..EExtended strand (participates in β ladder)trans-75.3140.8172.6-147.7174.7-174.1-159.8-0.3109.6L684 Q724 F725L684-R761 HydrophobicContact CD2-CB 4.29Å; Q724-R761 CarbonylContact O-C 3.52Å; Q724-R761 WeakPolarHBondContact O-CA 3.14Å; Q724-R761 WeakPolarHBondContact O-CG 3.39Å; Q724-R761 VanDerWaalsContact OE1-NH2 3.1Å; F725-R761 HydrophobicContact CE1-CG 4.39Å
762K84.5Confident63Low67 Ų6792.2 Ų92.229%0.29152%0.515SS..PPolyproline II helixtrans-74.7137.2172.4-72.8180178.81640109.4Q724 F725 D741Q724-K762 PolarHBondContact O-N 2.72Å; F725-K762 VanDerWaalsContact O-CE 3.24Å; F725-K762 WeakPolarHBondContact O-CE 3.47Å; D741-K762 IonicContact OD1-NZ 2.65Å; D741-K762 PolarHBondContact OD1-NZ 3.33Å; D741-K762 IonicContact OD2-NZ 3.13Å; D741-K762 PolarHBondContact OD2-NZ 3.48Å
763E68.1Low60.9Low188 Ų18896.5 Ų96.588%0.87955%0.546SS*.PPolyproline II helixtrans-74.2128.5169.8-68-178.8177.100109.3S765E763-S765 PolarHBondContact O-N 3.03Å
764I53.9Low58.7Low166 Ų166100 Ų10085%0.85155%0.547SS*.  trans-83.697.4174.6-59.6168.6000106.7
765S38.4Very low56.6Low112 Ų112102.2 Ų102.278%0.78356%0.564SS**  trans-85.3109164.745.80000109.2E763E763-S765 PolarHBondContact O-N 3.03Å
766S27.9Very low53.7Low103 Ų103109.6 Ų109.672%0.7260%0.598SS**  trans-64.3137.7168.443.10000110.8
767P32.8Very low51Low126 Ų126114.1 Ų114.182%0.81863%0.633SS**  trans-87.9118.6-17332.9-30.9000112.6
768Q33.8Very low47.9Very low195 Ų195125.5 Ų125.591%0.91168%0.676SS**  trans-144.3121.5159.6-69.1178.9-11.500103.7
769G29.1Very low45.1Very low72 Ų72130.7 Ų130.774%0.74271%0.713SS**  cis107110.746.500000107
770A31.3Very low42.2Very low95 Ų95136.1 Ų136.179%0.78575%0.751SS**  trans66.5150.7173.400000115.9
771D32.3Very low39.3Very low136 Ų136135.2 Ų135.273%0.72777%0.767SS**  cis-168.1146.6-4.2-114-26.5000107
772I33.2Very low36.5Very low138 Ų138139.2 Ų139.271%0.70878%0.784SS**  trans63.2130.8135.8-59164.8000122.1
773S32.2Very low33.6Very low112 Ų112144.9 Ų144.978%0.78381%0.813SS**  trans79.8150.2150.671.80000119.1
774R27.8Very low31.7Very low239 Ų239141 Ų14190%0.90281%0.807SS**  cis179.9158.3-29.2-135.8177.5-175.2171.80.1104.2
775S31.5Very low30.6Very low110 Ų110144.6 Ų144.677%0.76981%0.81SS**  trans78.9107.5173.380.40000116.4
776E26.7Very low29.9Very low173 Ų173150.9 Ų150.981%0.80882%0.816SS**  65.5104.569.1-75-164.7146.100115.1
777S32.5Very low29.9Very low129 Ų129153.8 Ų153.890%0.90282%0.824SS**  trans-162.4127.1131.516.50000110.2
778R28.4Very low29.6Very low238 Ų238152.4 Ų152.490%0.89882%0.817SS**  trans-84.2144.4-171.7-68.7166163174-5.2111.6
779S31.9Very low29.3Very low123 Ų123149.9 Ų149.986%0.8682%0.815SS**  trans-143115140.562.70000110.7
780S31.8Very low29.2Very low114 Ų114149.6 Ų149.680%0.79781%0.813SS**  trans-48.6153.6174.8-1630000113.9
781G29.6Very low29Very low61 Ų61151.3 Ų151.363%0.62981%0.813SS**  cis-177179.913.500000115.4
782Y28.7Very low28.6Very low227 Ų227152.1 Ų152.189%0.8982%0.817SS**  trans78.674.2166.1-58.6-76.2000118.9
783M23.4Very low28.2Very low186 Ų186150.3 Ų150.392%0.91682%0.823SS**  trans-96.4135.2141.9-86.7-175.666.900109.6
784S29.4Very low27.6Very low106 Ų106149.7 Ų149.774%0.74181%0.806SS**  trans-176.7108.9143.542.60000107.7
785R29Very low27.5Very low242 Ų242144.8 Ų144.891%0.91380%0.802SS**  101.9121.575.1-173.4179.5-104.3172.5-6.1108.1
786W24.3Very low27.3Very low244 Ų244146.5 Ų146.592%0.92480%0.804SS**  trans-55.2143.9175.6-73.967.8000111.9
787N28.1Very low27.4Very low163 Ų163145.1 Ų145.187%0.87280%0.804SS**  trans-157.6149.5141.4-95.5-17.8000110.5
788S26Very low27.1Very low98 Ų98146 Ų14669%0.68580%0.798SS**  trans-64.5173.8-172.854.40000115.3
789T28.4Very low27Very low141 Ų141140.6 Ų140.687%0.86579%0.792SS**  trans83.7132.4157.849.30000119.6
790G27.5Very low26.7Very low67 Ų67141.7 Ų141.769%0.69179%0.788SS**  trans99.790.5158.700000114.3
791T27.3Very low26.3Very low130 Ų130143.5 Ų143.580%0.79879%0.787SS**  71.1107.186.9-52.60000114.1
792L22Very low26.1Very low153 Ų153149.4 Ų149.480%0.80180%0.799SS**  trans39.2121.9144.1-69.9158.1000119.7
793A24.7Very low25.9Very low101 Ų101143.5 Ų143.584%0.83579%0.792SS**  179.114910700000111
794F21.5Very low26.1Very low99 Ų99139.9 Ų139.943%0.43478%0.781SS.*  trans-70.9147.8-169.7-87.1-78.8000115.5S659 A660 C661S659-F794 WeakPolarHBondContact CB-O 3.28Å; S659-F794 PolarHBondContact OG-O 2.78Å; A660-F794 VanDerWaalsContact O-CB 3.27Å; A660-F794 WeakPolarHBondContact O-CB 3.24Å; A660-F794 WeakPolarHBondContact O-CD1 3.18Å; A660-F794 WeakPolarHBondContact O-CG 3.44Å; C661-F794 VanDerWaalsContact CA-CE1 3.47Å; C661-F794 HydrophobicContact CB-CD1 3.6Å; C661-F794 HydrophobicContact CB-CE1 3.17Å; C661-F794 HydrophobicContact CB-CZ 3.85Å; C661-F794 WeakPolarHBondContact SG-CD1 3.47Å; C661-F794 WeakPolarHBondContact SG-CE1 3.4Å; C661-F794 VanDerWaalsContact SG-CZ 3.57Å
795V25.3Very low25.8Very low135 Ų135143 Ų14382%0.81879%0.785SS**  trans-126.60140.8-173.60000109.4S659 A660S659-V795 VanDerWaalsContact OG-CA 3.28Å; S659-V795 WeakPolarHBondContact OG-CA 3.44Å; S659-V795 WeakPolarHBondContact OG-CG2 2.91Å; A660-V795 VanDerWaalsContact C-OXT 3.28Å; A660-V795 WeakPolarHBondContact CA-OXT 3.45Å; A660-V795 WeakPolarHBondContact CB-OXT 2.94Å; A660-V795 PolarHBondContact N-OXT 3.38Å; A660-V795 CarbonylContact O-C 3.53Å

Retrieved 795 of 795 residues in 388 ms (Link to these results)

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