A0A5K4F2A8_SCHMA Loading...

Cation-transporting ATPase

AlphaFold DB , UniProt , Accession A0A5K4F2A8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,453 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
1M59Low77.1Confident96 Ų9689 Ų8947%0.47347%0.468SS..  080.10-163.4-164-169.400107.2M43 W64 F71M1-M43 HydrophobicContact CG-CE 4.47Å; M1-M43 HydrophobicContact SD-CE 3.87Å; M1-M43 HydrophobicContact SD-SD 4.38Å; M1-W64 HydrophobicContact CE-CB 4.14Å; M1-W64 HydrophobicContact CE-CD2 3.38Å; M1-W64 HydrophobicContact CE-CE3 3.17Å; M1-W64 HydrophobicContact CE-CG 3.82Å; M1-W64 HydrophobicContact CE-CH2 4.29Å; M1-W64 HydrophobicContact CE-CZ2 4.48Å; M1-W64 HydrophobicContact CE-CZ3 3.67Å; M1-W64 HydrophobicContact CG-CH2 4.43Å; M1-W64 HydrophobicContact CG-CZ2 4.5Å; M1-W64 HydrophobicContact SD-CD2 3.45Å; M1-W64 VanDerWaalsContact SD-CE2 3.51Å; M1-W64 HydrophobicContact SD-CE3 3.77Å; M1-W64 HydrophobicContact SD-CG 3.87Å; M1-W64 HydrophobicContact SD-CH2 4.1Å; M1-W64 HydrophobicContact SD-CZ2 3.85Å; M1-W64 HydrophobicContact SD-CZ3 4.08Å; M1-F71 HydrophobicContact CE-CD2 4.18Å; M1-F71 HydrophobicContact CE-CE1 3.82Å; M1-F71 HydrophobicContact CE-CE2 3.22Å; M1-F71 HydrophobicContact CE-CZ 3.01Å
2E63.7Low75.6Confident138 Ų13888.3 Ų88.365%0.64546%0.456SS*.  trans-1122.8-177.4-62.2-170.6148.800112.3E4 K44E2-E4 PolarHBondContact O-N 3.41Å; E2-K44 WeakPolarHBondContact OE1-CE 3.5Å; E2-K44 IonicContact OE1-NZ 3.42Å; E2-K44 PolarHBondContact OE1-NZ 3.37Å
3A72.4Confident74.9Confident55 Ų5584.2 Ų84.246%0.45545%0.448SS..  trans-78.3114.9-174.900000110R5A3-R5 WeakPolarHBondContact CB-O 3.5Å; A3-R5 PolarHBondContact O-N 3.28Å
4E82.6Confident74.7Confident131 Ų13181.5 Ų81.561%0.61244%0.437SS*.SBendtrans-68.4-19.9171.1-64.3-176163.800112.1E2 D19 V20 V40E2-E4 PolarHBondContact O-N 3.41Å; E4-D19 WeakPolarHBondContact O-CA 3.28Å; E4-V20 PolarHBondContact O-N 3.01Å; E4-V40 HydrophobicContact CG-CB 4.3Å; E4-V40 HydrophobicContact CG-CG2 4.35Å
5R85.6Confident75.2Confident156 Ų15685.2 Ų85.259%0.58944%0.443SS*.EExtended strand (participates in β ladder)trans-131.4144.6179.6-69.3-176.9176.6163.46.6111.2A3 I17 H18 D19A3-R5 WeakPolarHBondContact CB-O 3.5Å; A3-R5 PolarHBondContact O-N 3.28Å; R5-I17 HydrophobicContact CB-CG2 4.2Å; R5-I17 HydrophobicContact CG-CG2 4.41Å; R5-H18 CarbonylContact C-O 3.57Å; R5-H18 VanDerWaalsContact CA-O 3.3Å; R5-H18 WeakPolarHBondContact CA-O 3.29Å; R5-D19 WeakPolarHBondContact CG-OD1 3.42Å; R5-D19 IonicContact CZ-OD1 2.86Å; R5-D19 IonicContact NE-OD1 3.67Å; R5-D19 PolarHBondContact NE-OD1 3.23Å; R5-D19 IonicContact NH2-OD1 3.07Å
6I87.4Confident75.7Confident32 Ų3284.6 Ų84.616%0.16443%0.434CS..EExtended strand (participates in β ladder)trans-120.7145.4174.656.9163.9000110.6V8 I17 H18 V20 F55 F71I6-V8 HydrophobicContact CD1-CG2 3.9Å; I6-V8 HydrophobicContact CG1-CG2 4.36Å; I6-I17 WeakPolarHBondContact O-CA 3.22Å; I6-H18 HydrophobicContact CD1-CB 4.36Å; I6-H18 HydrophobicContact CG1-CB 3.95Å; I6-H18 WeakPolarHBondContact CG1-O 3.43Å; I6-H18 PolarHBondContact N-O 2.79Å; I6-H18 PolarHBondContact O-N 3.09Å; I6-V20 HydrophobicContact CG1-CG2 4.32Å; I6-V20 HydrophobicContact CG2-CG2 3.64Å; I6-F55 HydrophobicContact CD1-CB 3.97Å; I6-F55 HydrophobicContact CD1-CD1 3.14Å; I6-F55 HydrophobicContact CD1-CD2 3.63Å; I6-F55 HydrophobicContact CD1-CE1 3.26Å; I6-F55 HydrophobicContact CD1-CE2 3.77Å; I6-F55 HydrophobicContact CD1-CG 3.31Å; I6-F55 HydrophobicContact CD1-CZ 3.59Å; I6-F55 HydrophobicContact CG1-CD1 4.47Å; I6-F55 HydrophobicContact CG1-CG 4.42Å; I6-F71 HydrophobicContact CG2-CE2 4.2Å
7L88Confident76.4Confident113 Ų11386.5 Ų86.559%0.59244%0.444SS*.EExtended strand (participates in β ladder)trans-100.6119.3172.4-172.171.7000108.7Y15 Y16 I17L7-Y15 HydrophobicContact CD1-CD1 4.33Å; L7-Y15 HydrophobicContact CD2-CD1 3.78Å; L7-Y15 HydrophobicContact CD2-CE1 4.27Å; L7-Y15 HydrophobicContact CG-CD1 3.93Å; L7-Y16 CarbonylContact C-O 3.58Å; L7-Y16 WeakPolarHBondContact CA-O 3.29Å; L7-I17 HydrophobicContact CD1-CG1 3.69Å
8V85.7Confident77Confident28 Ų2883.7 Ų83.717%0.1743%0.429CS..EExtended strand (participates in β ladder)trans-109.4119.8179.8179.10000108.6I6 Y15 Y16 F55I6-V8 HydrophobicContact CD1-CG2 3.9Å; I6-V8 HydrophobicContact CG1-CG2 4.36Å; V8-Y15 CarbonylContact O-C 2.99Å; V8-Y15 WeakPolarHBondContact O-CA 3.38Å; V8-Y16 PolarHBondContact N-O 3.04Å; V8-Y16 PolarHBondContact O-N 3.17Å; V8-F55 HydrophobicContact CG2-CE2 3.92Å; V8-F55 HydrophobicContact CG2-CZ 4.15Å
9Q83.4Confident77.6Confident109 Ų10984.3 Ų84.351%0.50943%0.433SS..EExtended strand (participates in β ladder)trans-92.3124.1167.8-168.7-177.319.100108.7V14 Y15Q9-V14 WeakPolarHBondContact CA-O 3.3Å; Q9-Y15 HydrophobicContact CB-CD1 3.82Å; Q9-Y15 HydrophobicContact CB-CE1 3.68Å; Q9-Y15 HydrophobicContact CG-CD1 4.05Å; Q9-Y15 HydrophobicContact CG-CE1 3.73Å; Q9-Y15 HydrophobicContact CG-CE2 4.4Å; Q9-Y15 PolarHBondContact NE2-OH 3.33Å
10D75.1Confident78.1Confident19 Ų1980.7 Ų80.710%0.10242%0.415CS..  trans-81.3172.6175.180.6-0.3000112.7Y12 G13 V14 Y16 K58D10-Y12 PolarHBondContact O-N 3.25Å; D10-Y12 WeakPolarHBondContact OD1-CA 3.34Å; D10-Y12 WeakPolarHBondContact OD1-CB 3.29Å; D10-Y12 PolarHBondContact OD1-N 3.24Å; D10-G13 PolarHBondContact O-N 3.26Å; D10-G13 PolarHBondContact OD1-N 3.09Å; D10-V14 PolarHBondContact N-O 3.44Å; D10-V14 WeakPolarHBondContact OD1-CB 3.46Å; D10-V14 PolarHBondContact OD1-N 3.02Å; D10-Y16 HydrophobicContact CB-CE2 3.95Å; D10-Y16 PolarHBondContact OD2-OH 3.44Å; D10-K58 IonicContact OD2-NZ 3.82Å; D10-K58 PolarHBondContact OD2-NZ 2.89Å
11A64.6Low78.4Confident102 Ų10278.4 Ų78.484%0.84340%0.403SS*.THydrogen-bonded Turntrans-60.9-9.6179.700000114.4
12Y59.8Low79.5Confident80 Ų8073.9 Ų73.931%0.31438%0.381SS..THydrogen-bonded Turntrans-105.75179-48.3-59000112.5D10 K308D10-Y12 PolarHBondContact O-N 3.25Å; D10-Y12 WeakPolarHBondContact OD1-CA 3.34Å; D10-Y12 WeakPolarHBondContact OD1-CB 3.29Å; D10-Y12 PolarHBondContact OD1-N 3.24Å; Y12-K308 HydrophobicContact CD1-CD 4.13Å; Y12-K308 HydrophobicContact CD1-CG 3.95Å; Y12-K308 HydrophobicContact CD2-CG 4.47Å; Y12-K308 HydrophobicContact CE1-CB 4.46Å; Y12-K308 HydrophobicContact CE1-CD 3.53Å; Y12-K308 HydrophobicContact CE1-CG 3.62Å; Y12-K308 HydrophobicContact CE2-CB 4.35Å; Y12-K308 HydrophobicContact CE2-CG 4.16Å; Y12-K308 HydrophobicContact CG-CG 4.36Å
13G66.7Low80.3Confident35 Ų3567.8 Ų67.836%0.36135%0.353SS..SBendtrans7718.5179.900000113.9D10D10-G13 PolarHBondContact O-N 3.26Å; D10-G13 PolarHBondContact OD1-N 3.09Å
14V71.7Confident80.4Confident47 Ų4765.8 Ų65.829%0.28534%0.335SS..  trans-88.6130.9174.3-175.90000108.9Q9 D10 Y16 P309Q9-V14 WeakPolarHBondContact CA-O 3.3Å; D10-V14 PolarHBondContact N-O 3.44Å; D10-V14 WeakPolarHBondContact OD1-CB 3.46Å; D10-V14 PolarHBondContact OD1-N 3.02Å; V14-Y16 HydrophobicContact CB-CE2 3.8Å; V14-Y16 HydrophobicContact CG1-CD2 4.36Å; V14-Y16 HydrophobicContact CG1-CE1 4.3Å; V14-Y16 HydrophobicContact CG1-CE2 3.65Å; V14-Y16 WeakPolarHBondContact O-CD2 2.98Å; V14-Y16 WeakPolarHBondContact O-CE2 3.39Å; V14-P309 HydrophobicContact CG2-CG 4.22Å
15Y81.7Confident79.6Confident137 Ų13761.6 Ų61.654%0.53732%0.316SS..EExtended strand (participates in β ladder)trans-94138.5179.2-66.3-86.9000111.2L7 V8 Q9L7-Y15 HydrophobicContact CD1-CD1 4.33Å; L7-Y15 HydrophobicContact CD2-CD1 3.78Å; L7-Y15 HydrophobicContact CD2-CE1 4.27Å; L7-Y15 HydrophobicContact CG-CD1 3.93Å; V8-Y15 CarbonylContact O-C 2.99Å; V8-Y15 WeakPolarHBondContact O-CA 3.38Å; Q9-Y15 HydrophobicContact CB-CD1 3.82Å; Q9-Y15 HydrophobicContact CB-CE1 3.68Å; Q9-Y15 HydrophobicContact CG-CD1 4.05Å; Q9-Y15 HydrophobicContact CG-CE1 3.73Å; Q9-Y15 HydrophobicContact CG-CE2 4.4Å; Q9-Y15 PolarHBondContact NE2-OH 3.33Å
16Y83.5Confident78.4Confident76 Ų7657.8 Ų57.830%0.29831%0.305SS..EExtended strand (participates in β ladder)trans-131.7137.8178.6-59-93.9000109.9L7 V8 D10 V14 H18 H57L7-Y16 CarbonylContact C-O 3.58Å; L7-Y16 WeakPolarHBondContact CA-O 3.29Å; V8-Y16 PolarHBondContact N-O 3.04Å; V8-Y16 PolarHBondContact O-N 3.17Å; D10-Y16 HydrophobicContact CB-CE2 3.95Å; D10-Y16 PolarHBondContact OD2-OH 3.44Å; V14-Y16 HydrophobicContact CB-CE2 3.8Å; V14-Y16 HydrophobicContact CG1-CD2 4.36Å; V14-Y16 HydrophobicContact CG1-CE1 4.3Å; V14-Y16 HydrophobicContact CG1-CE2 3.65Å; V14-Y16 WeakPolarHBondContact O-CD2 2.98Å; V14-Y16 WeakPolarHBondContact O-CE2 3.39Å; Y16-H18 VanDerWaalsContact CB-NE2 3.28Å; Y16-H18 WeakPolarHBondContact CB-NE2 3.38Å; Y16-H57 AromaticContact CD2-CE1 3.57Å; Y16-H57 AromaticContact CE2-CE1 3.97Å; Y16-H57 AromaticContact CG-CE1 3.78Å
17I87.8Confident76.8Confident117 Ų11759.2 Ų59.260%0.633%0.328SS*.EExtended strand (participates in β ladder)trans-99.9128.4174-60171.9000108R5 I6 L7R5-I17 HydrophobicContact CB-CG2 4.2Å; R5-I17 HydrophobicContact CG-CG2 4.41Å; I6-I17 WeakPolarHBondContact O-CA 3.22Å; L7-I17 HydrophobicContact CD1-CG1 3.69Å
18H88Confident74.9Confident36 Ų3658.4 Ų58.417%0.16733%0.327CS..EExtended strand (participates in β ladder)trans-124.7139.2175.5-63.5-78.3000110.2R5 I6 Y16 F55 I56 H57R5-H18 CarbonylContact C-O 3.57Å; R5-H18 VanDerWaalsContact CA-O 3.3Å; R5-H18 WeakPolarHBondContact CA-O 3.29Å; I6-H18 HydrophobicContact CD1-CB 4.36Å; I6-H18 HydrophobicContact CG1-CB 3.95Å; I6-H18 WeakPolarHBondContact CG1-O 3.43Å; I6-H18 PolarHBondContact N-O 2.79Å; I6-H18 PolarHBondContact O-N 3.09Å; Y16-H18 VanDerWaalsContact CB-NE2 3.28Å; Y16-H18 WeakPolarHBondContact CB-NE2 3.38Å; H18-F55 HydrophobicContact CB-CB 4.35Å; H18-F55 HydrophobicContact CB-CD2 4.27Å; H18-I56 PolarHBondContact ND1-O 3.01Å; H18-H57 AromaticContact CD2-ND1 3.85Å; H18-H57 AromaticContact CE1-ND1 3.53Å; H18-H57 AromaticContact NE2-CE1 3.87Å; H18-H57 AromaticContact NE2-CG 3.96Å; H18-H57 AromaticContact NE2-ND1 2.98Å; H18-H57 PolarHBondContact NE2-ND1 3.41Å
19D87.8Confident72.9Confident95 Ų9560 Ų6051%0.50833%0.334SS..EExtended strand (participates in β ladder)trans-75.2139.2169-60.8-48.3000109.7E4 R5E4-D19 WeakPolarHBondContact O-CA 3.28Å; R5-D19 WeakPolarHBondContact CG-OD1 3.42Å; R5-D19 IonicContact CZ-OD1 2.86Å; R5-D19 IonicContact NE-OD1 3.67Å; R5-D19 PolarHBondContact NE-OD1 3.23Å; R5-D19 IonicContact NH2-OD1 3.07Å
20V86.6Confident71.1Confident12 Ų1266.6 Ų66.67%0.07336%0.356CS..  trans-84.9125.9175-179.40000108.8E4 I6 V40 C53 F71E4-V20 PolarHBondContact O-N 3.01Å; I6-V20 HydrophobicContact CG1-CG2 4.32Å; I6-V20 HydrophobicContact CG2-CG2 3.64Å; V20-V40 HydrophobicContact CB-CG2 4.33Å; V20-V40 HydrophobicContact CG1-CG2 4.43Å; V20-C53 VanDerWaalsContact CG1-SG 3.51Å; V20-F71 HydrophobicContact CG1-CZ 4.18Å; V20-F71 HydrophobicContact CG2-CZ 4.33Å
21I85.2Confident69.6Low32 Ų3271 Ų7116%0.16438%0.384CS..EExtended strand (participates in β ladder)trans-104.5130.7-177.5-57.1169.5000108.6C53 Y54I21-C53 CarbonylContact O-C 3.59Å; I21-C53 WeakPolarHBondContact O-CA 3.21Å; I21-Y54 HydrophobicContact CB-CE1 4.32Å; I21-Y54 HydrophobicContact CB-CE2 4.18Å; I21-Y54 HydrophobicContact CD1-CE2 4.05Å; I21-Y54 HydrophobicContact CG2-CE1 4Å; I21-Y54 HydrophobicContact CG2-CE2 4.34Å; I21-Y54 PolarHBondContact N-O 3Å; I21-Y54 PolarHBondContact O-N 3.17Å
22V83.1Confident69Low2 Ų268.9 Ų68.91%0.01237%0.373CS..EExtended strand (participates in β ladder)trans-118110.4172.3-177.80000108.5K38 V40 M43 M52 C53V22-K38 PolarHBondContact O-N 3.31Å; V22-V40 HydrophobicContact CG2-CG2 4.17Å; V22-M43 HydrophobicContact CG1-CG 4.42Å; V22-M43 HydrophobicContact CG2-CE 4.26Å; V22-M43 HydrophobicContact CG2-CG 4.31Å; V22-M52 WeakPolarHBondContact CA-O 3.42Å; V22-C53 HydrophobicContact CG2-CB 4.21Å
23D79.9Confident68.4Low10 Ų1072.8 Ų72.85%0.05339%0.387CS..EExtended strand (participates in β ladder)trans-109.6134.8176.2-69.6-28000109.5R37 M52 Y54D23-R37 IonicContact OD1-NE 2.7Å; D23-M52 PolarHBondContact N-O 2.9Å; D23-M52 PolarHBondContact O-N 3.28Å; D23-Y54 HydrophobicContact CB-CE1 4.26Å; D23-Y54 VanDerWaalsContact OD2-CE1 3.31Å; D23-Y54 WeakPolarHBondContact OD2-CE1 3.09Å; D23-Y54 PolarHBondContact OD2-OH 3.09Å
24V74Confident67.9Low13 Ų1372 Ų728%0.07938%0.375CS..EExtended strand (participates in β ladder)trans-104.8124.4174.1-175.50000108.5E26 Y35 V36 K38 F42 M51V24-E26 HydrophobicContact CG1-CG 4.3Å; V24-E26 PolarHBondContact O-N 3.49Å; V24-E26 VanDerWaalsContact O-N 3.12Å; V24-Y35 VanDerWaalsContact O-CA 3.25Å; V24-Y35 WeakPolarHBondContact O-CA 3.34Å; V24-V36 PolarHBondContact N-O 2.98Å; V24-V36 PolarHBondContact O-N 3.41Å; V24-K38 HydrophobicContact CB-CG 4.39Å; V24-K38 HydrophobicContact CG2-CB 4.28Å; V24-K38 HydrophobicContact CG2-CG 3.46Å; V24-K38 VanDerWaalsContact CG2-CG 3.46Å; V24-F42 HydrophobicContact CG2-CD1 4.24Å; V24-F42 HydrophobicContact CG2-CE1 3.95Å; V24-M51 HydrophobicContact CG1-CG 4.38Å; V24-M51 HydrophobicContact CG2-CE 4.34Å; V24-M51 HydrophobicContact CG2-CG 3.88Å; V24-M51 HydrophobicContact CG2-SD 3.92Å
25I65.3Low67.6Low42 Ų4274.2 Ų74.222%0.21538%0.379CS..  trans-76.697.8176.5-54.2171.9000107.8R50 M52 M98 A101I25-R50 HydrophobicContact CB-CB 4.45Å; I25-R50 PolarHBondContact N-O 3.37Å; I25-M52 HydrophobicContact CD1-CG 4.48Å; I25-M98 HydrophobicContact CD1-CG 4.45Å; I25-A101 HydrophobicContact CD1-CB 4.45Å
26E61.3Low66.7Low77 Ų7769.5 Ų69.536%0.3637%0.365SS..  trans-100.9134.6166.1-71.6179.2-174.700106.9V24 N29 P34 V36V24-E26 HydrophobicContact CG1-CG 4.3Å; V24-E26 PolarHBondContact O-N 3.49Å; V24-E26 VanDerWaalsContact O-N 3.12Å; E26-N29 PolarHBondContact OE2-ND2 2.88Å; E26-P34 CarbonylContact O-C 3.36Å; E26-V36 HydrophobicContact CB-CG2 4.49Å; E26-V36 WeakPolarHBondContact OE2-CG2 3.41Å
27G54.3Low66.2Low62 Ų6273.9 Ų73.964%0.63938%0.381SS*.SBendtrans-48.6151.1177.600000111.6N29G27-N29 PolarHBondContact O-N 2.63Å
28V47.5Very low65.5Low95 Ų9571.2 Ų71.258%0.57637%0.365SS*.  trans-35.2101.4-167.1-173.60000112.8L97V28-L97 HydrophobicContact CG2-CD1 3.38Å; V28-L97 HydrophobicContact CG2-CD2 4.49Å
29N42.8Very low64.7Low61 Ų6173.2 Ų73.233%0.32638%0.381SS..  trans-76.5157.3170.9-85.8-28.4000109.9E26 G27 T31 G32E26-N29 PolarHBondContact OE2-ND2 2.88Å; G27-N29 PolarHBondContact O-N 2.63Å; N29-T31 PolarHBondContact O-N 3.24Å; N29-G32 PolarHBondContact O-N 3.08Å
30Y45.9Very low63.6Low248 Ų24869.5 Ų69.597%0.97336%0.362SS*.THydrogen-bonded Turntrans-51.8-13.6-177.7-69.2-82.4000115.8
31T45.2Very low62.6Low111 Ų11172.5 Ų72.568%0.68138%0.383SS*.THydrogen-bonded Turntrans-86.4-1.2177.858.80000114.1N29 R33N29-T31 PolarHBondContact O-N 3.24Å; T31-R33 PolarHBondContact O-N 2.98Å; T31-R33 VanDerWaalsContact O-N 3.16Å
32G50.2Low61.5Low59 Ų5974 Ų7461%0.60839%0.389SS*.SBendtrans703.6-177.800000114.4N29N29-G32 PolarHBondContact O-N 3.08Å
33R48.2Very low60.5Low162 Ų16275.1 Ų75.161%0.61139%0.394SS*.  trans-95.2124.9172.9-67.1-173.2-179.2-178.71.2109.4T31 Y35T31-R33 PolarHBondContact O-N 2.98Å; T31-R33 VanDerWaalsContact O-N 3.16Å; R33-Y35 HydrophobicContact CB-CE2 4.35Å; R33-Y35 PolarHBondContact O-N 3.27Å
34P56.5Low59.3Low18 Ų1882 Ų8212%0.11742%0.423CS..SBendtrans-76.815.3-178.328.5-31.1000114.1E26E26-P34 CarbonylContact O-C 3.36Å
35Y64.5Low58.3Low93 Ų9385.5 Ų85.537%0.36545%0.449SS..  trans-147.8145.3-173.341-96.3000112.9V24 R33V24-Y35 VanDerWaalsContact O-CA 3.25Å; V24-Y35 WeakPolarHBondContact O-CA 3.34Å; R33-Y35 HydrophobicContact CB-CE2 4.35Å; R33-Y35 PolarHBondContact O-N 3.27Å
36V63.8Low57.8Low39 Ų3991.1 Ų91.124%0.23647%0.467CS..EExtended strand (participates in β ladder)trans-108.1117.4167.9-179.30000108.2V24 E26 K38V24-V36 PolarHBondContact N-O 2.98Å; V24-V36 PolarHBondContact O-N 3.41Å; E26-V36 HydrophobicContact CB-CG2 4.49Å; E26-V36 WeakPolarHBondContact OE2-CG2 3.41Å; V36-K38 HydrophobicContact CG1-CD 4.25Å; V36-K38 PolarHBondContact O-N 3.44Å
37R71.7Confident57.2Low168 Ų16893.2 Ų93.263%0.63448%0.478SS*.EExtended strand (participates in β ladder)trans-67.4127.8174.3-177.7169.1-78.3-173.4-6.6109.2D23D23-R37 IonicContact OD1-NE 2.7Å
38K74.5Confident57.3Low60 Ų6093.9 Ų93.926%0.26147%0.467SS..EExtended strand (participates in β ladder)trans-117.2152178.3-64.4-66.9-174.8-179.50110.3V22 V24 V36 F42V22-K38 PolarHBondContact O-N 3.31Å; V24-K38 HydrophobicContact CB-CG 4.39Å; V24-K38 HydrophobicContact CG2-CB 4.28Å; V24-K38 HydrophobicContact CG2-CG 3.46Å; V24-K38 VanDerWaalsContact CG2-CG 3.46Å; V36-K38 HydrophobicContact CG1-CD 4.25Å; V36-K38 PolarHBondContact O-N 3.44Å; K38-F42 HydrophobicContact CB-CB 3.91Å; K38-F42 HydrophobicContact CB-CD1 3.78Å; K38-F42 HydrophobicContact CB-CE1 4.49Å; K38-F42 HydrophobicContact CB-CG 3.95Å; K38-F42 HydrophobicContact CD-CD1 4.24Å; K38-F42 HydrophobicContact CD-CE1 4.2Å; K38-F42 HydrophobicContact CD-CG 4.4Å; K38-F42 HydrophobicContact CD-CZ 4.39Å; K38-F42 HydrophobicContact CG-CD1 3.69Å; K38-F42 HydrophobicContact CG-CE1 3.89Å; K38-F42 HydrophobicContact CG-CG 4.14Å
39P70.1Confident57.8Low79 Ų7993.9 Ų93.951%0.51349%0.486SS..  trans-65.1151.317228.5-34.4000110.5S41 F42P39-S41 PolarHBondContact O-N 2.84Å; P39-S41 VanDerWaalsContact O-N 3.13Å; P39-F42 HydrophobicContact CG-CB 4.47Å; P39-F42 WeakPolarHBondContact O-CB 3.29Å; P39-F42 PolarHBondContact O-N 3.03Å
40V65.5Low58.8Low17 Ų1799.3 Ų99.310%0.10350%0.502CS..G310 helixtrans-57.6-30179.8178.90000111.8E4 V20 V22 F42 M43E4-V40 HydrophobicContact CG-CB 4.3Å; E4-V40 HydrophobicContact CG-CG2 4.35Å; V20-V40 HydrophobicContact CB-CG2 4.33Å; V20-V40 HydrophobicContact CG1-CG2 4.43Å; V22-V40 HydrophobicContact CG2-CG2 4.17Å; V40-F42 PolarHBondContact O-N 3.24Å; V40-F42 VanDerWaalsContact O-N 3.15Å; V40-M43 HydrophobicContact CG1-CE 3.73Å; V40-M43 WeakPolarHBondContact O-CB 3.19Å; V40-M43 PolarHBondContact O-N 3.49Å; V40-M43 VanDerWaalsContact O-N 3.1Å
41S65Low60Low74 Ų7489.1 Ų89.152%0.51746%0.464SS..G310 helixtrans-57.2-24.9173.259.10000113.8P39 M43 K44P39-S41 PolarHBondContact O-N 2.84Å; P39-S41 VanDerWaalsContact O-N 3.13Å; S41-M43 PolarHBondContact O-N 2.88Å; S41-K44 WeakPolarHBondContact O-CB 3.46Å; S41-K44 PolarHBondContact O-N 3.07Å; S41-K44 VanDerWaalsContact O-N 3.1Å
42F62.8Low61.5Low65 Ų6585.1 Ų85.129%0.28544%0.438SS..G310 helixtrans-64.5-25.3177.4-164.7-113.7000112.9V24 K38 P39 V40 K44 S45 M51V24-F42 HydrophobicContact CG2-CD1 4.24Å; V24-F42 HydrophobicContact CG2-CE1 3.95Å; K38-F42 HydrophobicContact CB-CB 3.91Å; K38-F42 HydrophobicContact CB-CD1 3.78Å; K38-F42 HydrophobicContact CB-CE1 4.49Å; K38-F42 HydrophobicContact CB-CG 3.95Å; K38-F42 HydrophobicContact CD-CD1 4.24Å; K38-F42 HydrophobicContact CD-CE1 4.2Å; K38-F42 HydrophobicContact CD-CG 4.4Å; K38-F42 HydrophobicContact CD-CZ 4.39Å; K38-F42 HydrophobicContact CG-CD1 3.69Å; K38-F42 HydrophobicContact CG-CE1 3.89Å; K38-F42 HydrophobicContact CG-CG 4.14Å; P39-F42 HydrophobicContact CG-CB 4.47Å; P39-F42 WeakPolarHBondContact O-CB 3.29Å; P39-F42 PolarHBondContact O-N 3.03Å; V40-F42 PolarHBondContact O-N 3.24Å; V40-F42 VanDerWaalsContact O-N 3.15Å; F42-K44 PolarHBondContact O-N 2.92Å; F42-K44 VanDerWaalsContact O-N 3.09Å; F42-S45 PolarHBondContact O-N 2.88Å; F42-S45 VanDerWaalsContact O-N 3.12Å; F42-M51 HydrophobicContact CD1-CE 3.59Å; F42-M51 HydrophobicContact CD1-SD 3.66Å; F42-M51 HydrophobicContact CE1-CE 3.14Å; F42-M51 HydrophobicContact CE1-SD 3.8Å; F42-M51 HydrophobicContact CZ-CE 4.06Å
43M62.4Low63.1Low24 Ų2482.8 Ų82.812%0.11841%0.412CS..G310 helixtrans-60.2-19.6172.9-78.8-160.6-73.700113.1M1 V22 V40 S41 S45 M47 C53M1-M43 HydrophobicContact CG-CE 4.47Å; M1-M43 HydrophobicContact SD-CE 3.87Å; M1-M43 HydrophobicContact SD-SD 4.38Å; V22-M43 HydrophobicContact CG1-CG 4.42Å; V22-M43 HydrophobicContact CG2-CE 4.26Å; V22-M43 HydrophobicContact CG2-CG 4.31Å; V40-M43 HydrophobicContact CG1-CE 3.73Å; V40-M43 WeakPolarHBondContact O-CB 3.19Å; V40-M43 PolarHBondContact O-N 3.49Å; V40-M43 VanDerWaalsContact O-N 3.1Å; S41-M43 PolarHBondContact O-N 2.88Å; M43-S45 VanDerWaalsContact C-N 3.34Å; M43-S45 PolarHBondContact O-N 3.01Å; M43-M47 HydrophobicContact CG-CE 4.3Å; M43-M47 HydrophobicContact SD-CE 3.5Å; M43-M47 VanDerWaalsContact SD-CE 3.5Å; M43-C53 HydrophobicContact CE-CB 4.5Å; M43-C53 HydrophobicContact SD-CB 3.91Å
44K54.1Low65.1Low155 Ų15576 Ų7667%0.67439%0.386SS*.G310 helixtrans-67.7-29.4176.3-69.7-172.3175.2-172.20113.3E2 S41 F42E2-K44 WeakPolarHBondContact OE1-CE 3.5Å; E2-K44 IonicContact OE1-NZ 3.42Å; E2-K44 PolarHBondContact OE1-NZ 3.37Å; S41-K44 WeakPolarHBondContact O-CB 3.46Å; S41-K44 PolarHBondContact O-N 3.07Å; S41-K44 VanDerWaalsContact O-N 3.1Å; F42-K44 PolarHBondContact O-N 2.92Å; F42-K44 VanDerWaalsContact O-N 3.09Å
45S53.7Low66.6Low87 Ų8775.7 Ų75.761%0.60838%0.383SS*.THydrogen-bonded Turntrans-100.8-17.6-169.185.90000114.8F42 M43F42-S45 PolarHBondContact O-N 2.88Å; F42-S45 VanDerWaalsContact O-N 3.12Å; M43-S45 VanDerWaalsContact C-N 3.34Å; M43-S45 PolarHBondContact O-N 3.01Å
46R53.1Low67.7Low160 Ų16075.1 Ų75.160%0.60439%0.386SS*.  trans-169.3118.3179.7-113.8172.1170.6173.7-0.7109.6D48 M51R46-D48 VanDerWaalsContact CD-OD2 3.24Å; R46-D48 WeakPolarHBondContact CD-OD2 3.41Å; R46-D48 IonicContact CZ-OD2 2.76Å; R46-D48 IonicContact NE-OD2 3.64Å; R46-D48 PolarHBondContact NE-OD2 3.26Å; R46-M51 HydrophobicContact CB-CE 3.84Å; R46-M51 WeakPolarHBondContact O-CE 3.43Å
47M50.1Low68.9Low120 Ų12073.9 Ų73.959%0.59138%0.377SS*.  trans-97.481.9155-82.9-155.5178.100107.4M43M43-M47 HydrophobicContact CG-CE 4.3Å; M43-M47 HydrophobicContact SD-CE 3.5Å; M43-M47 VanDerWaalsContact SD-CE 3.5Å
48D55Low69.5Low77 Ų7767.8 Ų67.841%0.41236%0.355SS..  trans-83148166.7-75.1-23.6000108.7R46 R50 M51R46-D48 VanDerWaalsContact CD-OD2 3.24Å; R46-D48 WeakPolarHBondContact CD-OD2 3.41Å; R46-D48 IonicContact CZ-OD2 2.76Å; R46-D48 IonicContact NE-OD2 3.64Å; R46-D48 PolarHBondContact NE-OD2 3.26Å; D48-R50 PolarHBondContact O-N 3.05Å; D48-M51 PolarHBondContact O-N 3.43Å
49G58.8Low70Confident94 Ų9466.7 Ų66.797%0.96936%0.355SS*.THydrogen-bonded Turntrans-59.91179.500000116
50R64.4Low70.8Confident175 Ų17563.5 Ų63.566%0.6633%0.334SS*.THydrogen-bonded Turntrans-94-3.6172-62.8-175.7-177.1179.6-0.7113.5I25 D48I25-R50 HydrophobicContact CB-CB 4.45Å; I25-R50 PolarHBondContact N-O 3.37Å; D48-R50 PolarHBondContact O-N 3.05Å
51M70.7Confident71.9Confident34 Ų3463.7 Ų63.717%0.16733%0.333CS..EExtended strand (participates in β ladder)trans-95.4132176.7-58.6-152.7-163.400111.3V24 F42 R46 D48V24-M51 HydrophobicContact CG1-CG 4.38Å; V24-M51 HydrophobicContact CG2-CE 4.34Å; V24-M51 HydrophobicContact CG2-CG 3.88Å; V24-M51 HydrophobicContact CG2-SD 3.92Å; F42-M51 HydrophobicContact CD1-CE 3.59Å; F42-M51 HydrophobicContact CD1-SD 3.66Å; F42-M51 HydrophobicContact CE1-CE 3.14Å; F42-M51 HydrophobicContact CE1-SD 3.8Å; F42-M51 HydrophobicContact CZ-CE 4.06Å; R46-M51 HydrophobicContact CB-CE 3.84Å; R46-M51 WeakPolarHBondContact O-CE 3.43Å; D48-M51 PolarHBondContact O-N 3.43Å
52M76.4Confident73Confident28 Ų2863 Ų6314%0.13832%0.319CS..EExtended strand (participates in β ladder)trans-118.2109.6179.7-86.9-89.3-70.500109.2V22 D23 I25 Y54 V63 L102V22-M52 WeakPolarHBondContact CA-O 3.42Å; D23-M52 PolarHBondContact N-O 2.9Å; D23-M52 PolarHBondContact O-N 3.28Å; I25-M52 HydrophobicContact CD1-CG 4.48Å; M52-Y54 HydrophobicContact CB-CD1 4.33Å; M52-Y54 HydrophobicContact CE-CD1 4.49Å; M52-V63 HydrophobicContact CE-CG2 4.01Å; M52-V63 HydrophobicContact SD-CG1 4.01Å; M52-V63 HydrophobicContact SD-CG2 4.33Å; M52-L102 HydrophobicContact CE-CB 4.49Å; M52-L102 HydrophobicContact CE-CD1 3.3Å; M52-L102 HydrophobicContact CE-CG 4.47Å; M52-L102 HydrophobicContact SD-CD1 3.71Å
53C85Confident74.2Confident10 Ų1061.2 Ų61.27%0.06831%0.314CS..EExtended strand (participates in β ladder)trans-99.6119.7173.1177.50000109.4V20 I21 V22 M43 W64V20-C53 VanDerWaalsContact CG1-SG 3.51Å; I21-C53 CarbonylContact O-C 3.59Å; I21-C53 WeakPolarHBondContact O-CA 3.21Å; V22-C53 HydrophobicContact CG2-CB 4.21Å; M43-C53 HydrophobicContact CE-CB 4.5Å; M43-C53 HydrophobicContact SD-CB 3.91Å; C53-W64 HydrophobicContact CB-CB 3.97Å; C53-W64 WeakPolarHBondContact O-CB 3.34Å; C53-W64 PolarHBondContact O-N 3.16Å
54Y88.2Confident75.2Confident19 Ų1962.9 Ų62.98%0.07532%0.319CS..EExtended strand (participates in β ladder)trans-153.7167.1-174.968.6-88.6000113.1I21 D23 M52 I56 K61 Y62I21-Y54 HydrophobicContact CB-CE1 4.32Å; I21-Y54 HydrophobicContact CB-CE2 4.18Å; I21-Y54 HydrophobicContact CD1-CE2 4.05Å; I21-Y54 HydrophobicContact CG2-CE1 4Å; I21-Y54 HydrophobicContact CG2-CE2 4.34Å; I21-Y54 PolarHBondContact N-O 3Å; I21-Y54 PolarHBondContact O-N 3.17Å; D23-Y54 HydrophobicContact CB-CE1 4.26Å; D23-Y54 VanDerWaalsContact OD2-CE1 3.31Å; D23-Y54 WeakPolarHBondContact OD2-CE1 3.09Å; D23-Y54 PolarHBondContact OD2-OH 3.09Å; M52-Y54 HydrophobicContact CB-CD1 4.33Å; M52-Y54 HydrophobicContact CE-CD1 4.49Å; Y54-I56 HydrophobicContact CD2-CG1 4.19Å; Y54-I56 HydrophobicContact CE2-CD1 4.14Å; Y54-I56 HydrophobicContact CE2-CG1 4.08Å; Y54-K61 HydrophobicContact CD1-CD 4.44Å; Y54-K61 HydrophobicContact CD2-CD 3.65Å; Y54-K61 HydrophobicContact CD2-CG 3.4Å; Y54-K61 VanDerWaalsContact CD2-CG 3.4Å; Y54-K61 HydrophobicContact CE2-CD 3.92Å; Y54-K61 HydrophobicContact CE2-CG 4.04Å; Y54-K61 HydrophobicContact CG-CD 3.93Å; Y54-K61 HydrophobicContact CG-CG 3.85Å; Y54-Y62 CarbonylContact C-O 3.46Å; Y54-Y62 WeakPolarHBondContact CA-O 3.46Å; Y54-Y62 WeakPolarHBondContact CB-O 3.47Å
55F89.9Confident76.5Confident12 Ų1257.2 Ų57.25%0.05330%0.296CS..EExtended strand (participates in β ladder)trans-134163.3164.270.6-88.3000110.1I6 V8 H18 H57 K61 Y62 F71I6-F55 HydrophobicContact CD1-CB 3.97Å; I6-F55 HydrophobicContact CD1-CD1 3.14Å; I6-F55 HydrophobicContact CD1-CD2 3.63Å; I6-F55 HydrophobicContact CD1-CE1 3.26Å; I6-F55 HydrophobicContact CD1-CE2 3.77Å; I6-F55 HydrophobicContact CD1-CG 3.31Å; I6-F55 HydrophobicContact CD1-CZ 3.59Å; I6-F55 HydrophobicContact CG1-CD1 4.47Å; I6-F55 HydrophobicContact CG1-CG 4.42Å; V8-F55 HydrophobicContact CG2-CE2 3.92Å; V8-F55 HydrophobicContact CG2-CZ 4.15Å; H18-F55 HydrophobicContact CB-CB 4.35Å; H18-F55 HydrophobicContact CB-CD2 4.27Å; F55-H57 HydrophobicContact CD2-CB 3.99Å; F55-H57 HydrophobicContact CE2-CB 3.62Å; F55-K61 WeakPolarHBondContact O-CA 3.46Å; F55-Y62 HydrophobicContact CD2-CD2 4.34Å; F55-Y62 VanDerWaalsContact CE1-CB 3.42Å; F55-Y62 HydrophobicContact CE1-CG 4.09Å; F55-Y62 AromaticContact CE2-CD2 3.71Å; F55-Y62 HydrophobicContact CE2-CD2 3.71Å; F55-Y62 HydrophobicContact CE2-CE2 4.43Å; F55-Y62 AromaticContact CE2-CG 3.99Å; F55-Y62 HydrophobicContact CE2-CG 3.99Å; F55-Y62 HydrophobicContact CZ-CD1 4.31Å; F55-Y62 AromaticContact CZ-CD2 3.87Å; F55-Y62 HydrophobicContact CZ-CD2 3.87Å; F55-Y62 AromaticContact CZ-CG 3.65Å; F55-Y62 HydrophobicContact CZ-CG 3.65Å; F55-Y62 PolarHBondContact N-O 3.03Å; F55-Y62 PolarHBondContact O-N 2.95Å; F55-F71 HydrophobicContact CD1-CB 4.38Å; F55-F71 AromaticContact CD1-CD1 3.65Å; F55-F71 HydrophobicContact CD1-CD1 3.65Å; F55-F71 HydrophobicContact CD1-CD2 4.24Å; F55-F71 AromaticContact CD1-CE1 3.79Å; F55-F71 HydrophobicContact CD1-CE1 3.79Å; F55-F71 HydrophobicContact CD1-CE2 4.35Å; F55-F71 AromaticContact CD1-CG 3.87Å; F55-F71 HydrophobicContact CD1-CG 3.87Å; F55-F71 HydrophobicContact CD1-CZ 4.11Å; F55-F71 HydrophobicContact CE1-CB 3.58Å; F55-F71 AromaticContact CE1-CD1 3.73Å; F55-F71 HydrophobicContact CE1-CD1 3.73Å; F55-F71 AromaticContact CE1-CD2 3.88Å; F55-F71 HydrophobicContact CE1-CD2 3.88Å; F55-F71 HydrophobicContact CE1-CE1 4.29Å; F55-F71 HydrophobicContact CE1-CE2 4.4Å; F55-F71 AromaticContact CE1-CG 3.49Å; F55-F71 HydrophobicContact CE1-CG 3.49Å; F55-F71 VanDerWaalsContact CE1-CG 3.49Å; F55-F71 HydrophobicContact CZ-CB 4.46Å
56I87.4Confident77.6Confident80 Ų8055.3 Ų55.341%0.4129%0.29SS..EExtended strand (participates in β ladder)trans-115.6116.4178.6-59.6174.3000109.1H18 Y54 L60 K61H18-I56 PolarHBondContact ND1-O 3.01Å; Y54-I56 HydrophobicContact CD2-CG1 4.19Å; Y54-I56 HydrophobicContact CE2-CD1 4.14Å; Y54-I56 HydrophobicContact CE2-CG1 4.08Å; I56-L60 CarbonylContact C-O 3.53Å; I56-L60 VanDerWaalsContact CA-O 3.25Å; I56-L60 WeakPolarHBondContact CA-O 3.36Å; I56-K61 HydrophobicContact CG1-CB 4.49Å; I56-K61 HydrophobicContact CG1-CG 4.33Å
57H87.5Confident78.6Confident13 Ų1355.7 Ų55.76%0.0630%0.299CS..EExtended strand (participates in β ladder)trans-119.6122.7175.7179.573.5000110.9Y16 H18 F55 C59 L60 Y62Y16-H57 AromaticContact CD2-CE1 3.57Å; Y16-H57 AromaticContact CE2-CE1 3.97Å; Y16-H57 AromaticContact CG-CE1 3.78Å; H18-H57 AromaticContact CD2-ND1 3.85Å; H18-H57 AromaticContact CE1-ND1 3.53Å; H18-H57 AromaticContact NE2-CE1 3.87Å; H18-H57 AromaticContact NE2-CG 3.96Å; H18-H57 AromaticContact NE2-ND1 2.98Å; H18-H57 PolarHBondContact NE2-ND1 3.41Å; F55-H57 HydrophobicContact CD2-CB 3.99Å; F55-H57 HydrophobicContact CE2-CB 3.62Å; H57-C59 VanDerWaalsContact C-N 3.27Å; H57-C59 PolarHBondContact O-N 3.29Å; H57-L60 PolarHBondContact N-O 3.11Å; H57-L60 PolarHBondContact O-N 3.32Å; H57-Y62 HydrophobicContact CB-CD2 4.23Å; H57-Y62 HydrophobicContact CB-CE2 3.97Å
58K84.6Confident80Confident40 Ų4052.3 Ų52.317%0.17429%0.285CS..THydrogen-bonded Turntrans47.950.3-178.2-63.9178.3-177.2176.40111.4D10 L60 R302 F306D10-K58 IonicContact OD2-NZ 3.82Å; D10-K58 PolarHBondContact OD2-NZ 2.89Å; K58-L60 VanDerWaalsContact C-N 3.26Å; K58-L60 PolarHBondContact O-N 3.08Å; K58-R302 VanDerWaalsContact O-CZ 3.29Å; K58-R302 PolarHBondContact O-NE 3Å; K58-R302 PolarHBondContact O-NH2 2.93Å; K58-F306 HydrophobicContact CB-CD1 4.46Å; K58-F306 HydrophobicContact CB-CD2 3.77Å; K58-F306 HydrophobicContact CB-CE2 3.89Å; K58-F306 HydrophobicContact CB-CG 4.08Å; K58-F306 HydrophobicContact CB-CZ 4.28Å; K58-F306 HydrophobicContact CD-CB 4.13Å; K58-F306 HydrophobicContact CD-CG 4.18Å; K58-F306 HydrophobicContact CG-CB 4.41Å; K58-F306 HydrophobicContact CG-CD1 4Å; K58-F306 HydrophobicContact CG-CD2 4.15Å; K58-F306 HydrophobicContact CG-CE1 4.31Å; K58-F306 HydrophobicContact CG-CE2 4.45Å; K58-F306 HydrophobicContact CG-CG 3.91Å
59C86.4Confident81.3Confident38 Ų3858.3 Ų58.326%0.25730%0.302SS..THydrogen-bonded Turntrans65.56.2-177.9-51.10000117.5H57 F293 R302H57-C59 VanDerWaalsContact C-N 3.27Å; H57-C59 PolarHBondContact O-N 3.29Å; C59-F293 HydrophobicContact CB-CB 4.23Å; C59-F293 HydrophobicContact CB-CD1 3.87Å; C59-F293 HydrophobicContact CB-CD2 3.55Å; C59-F293 HydrophobicContact CB-CE1 4.01Å; C59-F293 HydrophobicContact CB-CE2 3.74Å; C59-F293 HydrophobicContact CB-CG 3.6Å; C59-F293 HydrophobicContact CB-CZ 3.96Å; C59-R302 HydrophobicContact CB-CG 4.35Å
60L86.4Confident82.5Confident12 Ų1260.1 Ų60.16%0.06328%0.279CS..EExtended strand (participates in β ladder)trans-101.8140170.6-67.4177.1000111.1I56 H57 K58 Y62 L73 Y294 R302I56-L60 CarbonylContact C-O 3.53Å; I56-L60 VanDerWaalsContact CA-O 3.25Å; I56-L60 WeakPolarHBondContact CA-O 3.36Å; H57-L60 PolarHBondContact N-O 3.11Å; H57-L60 PolarHBondContact O-N 3.32Å; K58-L60 VanDerWaalsContact C-N 3.26Å; K58-L60 PolarHBondContact O-N 3.08Å; L60-Y62 HydrophobicContact CB-CD2 4.36Å; L60-Y62 HydrophobicContact CB-CE2 3.78Å; L60-L73 HydrophobicContact CB-CD1 3.68Å; L60-L73 HydrophobicContact CD1-CD1 3.73Å; L60-L73 HydrophobicContact CD1-CD2 4.22Å; L60-L73 HydrophobicContact CD2-CD1 4.18Å; L60-L73 HydrophobicContact CG-CD1 4.05Å; L60-Y294 HydrophobicContact CD2-CD1 3.77Å; L60-Y294 HydrophobicContact CD2-CE1 3.62Å; L60-Y294 HydrophobicContact CD2-CG 4.4Å; L60-R302 VanDerWaalsContact CG-NH1 3.33Å
61K88.1Confident83.5Confident21 Ų2154 Ų549%0.09126%0.258CS..EExtended strand (participates in β ladder)trans-91.5123.4176.3-163.7-178.8-71.5171.60108.9Y54 F55 I56 V63 I74 A101 L102 Y294Y54-K61 HydrophobicContact CD1-CD 4.44Å; Y54-K61 HydrophobicContact CD2-CD 3.65Å; Y54-K61 HydrophobicContact CD2-CG 3.4Å; Y54-K61 VanDerWaalsContact CD2-CG 3.4Å; Y54-K61 HydrophobicContact CE2-CD 3.92Å; Y54-K61 HydrophobicContact CE2-CG 4.04Å; Y54-K61 HydrophobicContact CG-CD 3.93Å; Y54-K61 HydrophobicContact CG-CG 3.85Å; F55-K61 WeakPolarHBondContact O-CA 3.46Å; I56-K61 HydrophobicContact CG1-CB 4.49Å; I56-K61 HydrophobicContact CG1-CG 4.33Å; K61-V63 HydrophobicContact CD-CG2 4.48Å; K61-V63 HydrophobicContact CG-CG2 4.39Å; K61-I74 HydrophobicContact CB-CD1 3.76Å; K61-I74 HydrophobicContact CB-CG1 4.33Å; K61-I74 HydrophobicContact CD-CD1 3.51Å; K61-I74 HydrophobicContact CG-CD1 3.81Å; K61-I74 WeakPolarHBondContact O-CG1 3.4Å; K61-I74 PolarHBondContact O-N 3.37Å; K61-A101 PolarHBondContact NZ-O 2.95Å; K61-L102 PolarHBondContact NZ-O 3.05Å; K61-Y294 WeakPolarHBondContact CA-OH 3.39Å; K61-Y294 WeakPolarHBondContact CB-OH 3.43Å; K61-Y294 PolarHBondContact N-OH 3.43Å
62Y88.5Confident84.2Confident59 Ų5954.4 Ų54.423%0.23126%0.259CS..EExtended strand (participates in β ladder)trans-108.2116.1175.1-70.1-96.9000108.2Y54 F55 H57 L60 E72 L73Y54-Y62 CarbonylContact C-O 3.46Å; Y54-Y62 WeakPolarHBondContact CA-O 3.46Å; Y54-Y62 WeakPolarHBondContact CB-O 3.47Å; F55-Y62 HydrophobicContact CD2-CD2 4.34Å; F55-Y62 VanDerWaalsContact CE1-CB 3.42Å; F55-Y62 HydrophobicContact CE1-CG 4.09Å; F55-Y62 AromaticContact CE2-CD2 3.71Å; F55-Y62 HydrophobicContact CE2-CD2 3.71Å; F55-Y62 HydrophobicContact CE2-CE2 4.43Å; F55-Y62 AromaticContact CE2-CG 3.99Å; F55-Y62 HydrophobicContact CE2-CG 3.99Å; F55-Y62 HydrophobicContact CZ-CD1 4.31Å; F55-Y62 AromaticContact CZ-CD2 3.87Å; F55-Y62 HydrophobicContact CZ-CD2 3.87Å; F55-Y62 AromaticContact CZ-CG 3.65Å; F55-Y62 HydrophobicContact CZ-CG 3.65Å; F55-Y62 PolarHBondContact N-O 3.03Å; F55-Y62 PolarHBondContact O-N 2.95Å; H57-Y62 HydrophobicContact CB-CD2 4.23Å; H57-Y62 HydrophobicContact CB-CE2 3.97Å; L60-Y62 HydrophobicContact CB-CD2 4.36Å; L60-Y62 HydrophobicContact CB-CE2 3.78Å; Y62-E72 CarbonylContact C-O 3.48Å; Y62-E72 VanDerWaalsContact CA-O 3.24Å; Y62-E72 WeakPolarHBondContact CA-O 3.37Å; Y62-L73 HydrophobicContact CD1-CB 4.24Å; Y62-L73 HydrophobicContact CE1-CB 4.04Å; Y62-L73 HydrophobicContact CE1-CD1 4.32Å; Y62-L73 HydrophobicContact CE2-CD1 4.46Å
63V86.7Confident84.6Confident28 Ų2856.7 Ų56.717%0.1727%0.271CS..EExtended strand (participates in β ladder)trans-100.6142.7-175.7176.80000109.5M52 K61 N65 F71 E72 I74M52-V63 HydrophobicContact CE-CG2 4.01Å; M52-V63 HydrophobicContact SD-CG1 4.01Å; M52-V63 HydrophobicContact SD-CG2 4.33Å; K61-V63 HydrophobicContact CD-CG2 4.48Å; K61-V63 HydrophobicContact CG-CG2 4.39Å; V63-N65 PolarHBondContact O-N 3.08Å; V63-F71 WeakPolarHBondContact O-CA 3.33Å; V63-E72 PolarHBondContact N-O 3.18Å; V63-E72 PolarHBondContact O-N 3.48Å; V63-I74 HydrophobicContact CB-CG1 4.19Å; V63-I74 HydrophobicContact CG2-CD1 3.5Å; V63-I74 HydrophobicContact CG2-CG1 3.34Å
64W84.4Confident84.4Confident58 Ų5856.9 Ų56.922%0.2227%0.271CS..EExtended strand (participates in β ladder)trans-69120.3175.4179-108.4000110.8M1 C53 R69 F71M1-W64 HydrophobicContact CE-CB 4.14Å; M1-W64 HydrophobicContact CE-CD2 3.38Å; M1-W64 HydrophobicContact CE-CE3 3.17Å; M1-W64 HydrophobicContact CE-CG 3.82Å; M1-W64 HydrophobicContact CE-CH2 4.29Å; M1-W64 HydrophobicContact CE-CZ2 4.48Å; M1-W64 HydrophobicContact CE-CZ3 3.67Å; M1-W64 HydrophobicContact CG-CH2 4.43Å; M1-W64 HydrophobicContact CG-CZ2 4.5Å; M1-W64 HydrophobicContact SD-CD2 3.45Å; M1-W64 VanDerWaalsContact SD-CE2 3.51Å; M1-W64 HydrophobicContact SD-CE3 3.77Å; M1-W64 HydrophobicContact SD-CG 3.87Å; M1-W64 HydrophobicContact SD-CH2 4.1Å; M1-W64 HydrophobicContact SD-CZ2 3.85Å; M1-W64 HydrophobicContact SD-CZ3 4.08Å; C53-W64 HydrophobicContact CB-CB 3.97Å; C53-W64 WeakPolarHBondContact O-CB 3.34Å; C53-W64 PolarHBondContact O-N 3.16Å; W64-R69 HydrophobicContact CH2-CB 4.03Å; W64-R69 WeakPolarHBondContact CH2-O 2.98Å; W64-R69 HydrophobicContact CZ2-CB 4.15Å; W64-R69 VanDerWaalsContact CZ3-C 3.47Å; W64-R69 WeakPolarHBondContact CZ3-O 3.43Å; W64-F71 HydrophobicContact CB-CD1 4.12Å; W64-F71 HydrophobicContact CB-CE1 3.95Å; W64-F71 HydrophobicContact CE3-CD1 4.37Å; W64-F71 AromaticContact CE3-CD2 3.92Å; W64-F71 HydrophobicContact CE3-CD2 3.92Å; W64-F71 HydrophobicContact CE3-CE1 4.47Å; W64-F71 HydrophobicContact CE3-CE2 4.05Å; W64-F71 HydrophobicContact CE3-CG 4.11Å; W64-F71 HydrophobicContact CE3-CZ 4.35Å; W64-F71 HydrophobicContact CZ3-CD2 4.26Å; W64-F71 HydrophobicContact CZ3-CE2 4.44Å
65N81.2Confident83.5Confident36 Ų3662.6 Ų62.619%0.19329%0.293CS..EExtended strand (participates in β ladder)trans-95.9112169.2-176-18.1000109V63 Q67 T68 R69 R70 E72V63-N65 PolarHBondContact O-N 3.08Å; N65-Q67 VanDerWaalsContact C-N 3.28Å; N65-Q67 PolarHBondContact O-N 3.36Å; N65-Q67 WeakPolarHBondContact OD1-CB 3.39Å; N65-Q67 PolarHBondContact OD1-N 3.33Å; N65-T68 WeakPolarHBondContact CB-OG1 3.23Å; N65-T68 PolarHBondContact ND2-OG1 2.86Å; N65-T68 PolarHBondContact OD1-N 3.36Å; N65-R69 WeakPolarHBondContact O-CA 3.29Å; N65-R69 PolarHBondContact O-N 3.07Å; N65-R70 PolarHBondContact N-O 2.9Å; N65-R70 PolarHBondContact O-N 3.43Å; N65-E72 HydrophobicContact CB-CG 4.3Å; N65-E72 PolarHBondContact ND2-OE1 2.78Å; N65-E72 PolarHBondContact ND2-OE2 3.3Å; N65-E72 VanDerWaalsContact ND2-OE2 3.08Å
66G75.9Confident82.4Confident47 Ų4762.6 Ų62.649%0.48530%0.296SS..THydrogen-bonded Turntrans-64.5-29.3-178.400000113.9
67Q76Confident81.4Confident168 Ų16860.8 Ų60.879%0.78528%0.284SS*.THydrogen-bonded Turntrans-74.2-52.1-179.8-65.6178.2-10.400110.9N65 R69N65-Q67 VanDerWaalsContact C-N 3.28Å; N65-Q67 PolarHBondContact O-N 3.36Å; N65-Q67 WeakPolarHBondContact OD1-CB 3.39Å; N65-Q67 PolarHBondContact OD1-N 3.33Å; Q67-R69 VanDerWaalsContact C-N 3.26Å; Q67-R69 PolarHBondContact O-N 3.15Å
68T79.2Confident80.1Confident49 Ų4961.5 Ų61.530%0.30129%0.288SS..THydrogen-bonded Turntrans-80.6-8.8-179630000113.2N65 R70 E72N65-T68 WeakPolarHBondContact CB-OG1 3.23Å; N65-T68 PolarHBondContact ND2-OG1 2.86Å; N65-T68 PolarHBondContact OD1-N 3.36Å; T68-R70 WeakPolarHBondContact O-CG 3.45Å; T68-R70 PolarHBondContact O-N 2.53Å; T68-E72 WeakPolarHBondContact CB-OE1 3.49Å; T68-E72 VanDerWaalsContact CG2-OE1 3.3Å; T68-E72 WeakPolarHBondContact CG2-OE1 3.39Å; T68-E72 PolarHBondContact OG1-OE1 3.11Å
69R80.8Confident79.2Confident203 Ų20363.8 Ų63.877%0.76630%0.299SS*.THydrogen-bonded Turntrans51.537.2-175.3-62-176.1174.4-175.70.2112.7W64 N65 Q67W64-R69 HydrophobicContact CH2-CB 4.03Å; W64-R69 WeakPolarHBondContact CH2-O 2.98Å; W64-R69 HydrophobicContact CZ2-CB 4.15Å; W64-R69 VanDerWaalsContact CZ3-C 3.47Å; W64-R69 WeakPolarHBondContact CZ3-O 3.43Å; N65-R69 WeakPolarHBondContact O-CA 3.29Å; N65-R69 PolarHBondContact O-N 3.07Å; Q67-R69 VanDerWaalsContact C-N 3.26Å; Q67-R69 PolarHBondContact O-N 3.15Å
70R84.2Confident78.4Confident132 Ų13263 Ų6350%0.49829%0.293SS..EExtended strand (participates in β ladder)trans-134.6153.5179.7-69.4176.4-175.6-160.3-1.6109.8N65 T68 N1327N65-R70 PolarHBondContact N-O 2.9Å; N65-R70 PolarHBondContact O-N 3.43Å; T68-R70 WeakPolarHBondContact O-CG 3.45Å; T68-R70 PolarHBondContact O-N 2.53Å; R70-N1327 PolarHBondContact NH1-ND2 3.06Å; R70-N1327 PolarHBondContact NH1-OD1 2.97Å
71F87Confident77.6Confident48 Ų4863.9 Ų63.921%0.21130%0.302CS..EExtended strand (participates in β ladder)trans-78.3121.4164.6-77.1-80.1000108.9M1 I6 V20 F55 V63 W64M1-F71 HydrophobicContact CE-CD2 4.18Å; M1-F71 HydrophobicContact CE-CE1 3.82Å; M1-F71 HydrophobicContact CE-CE2 3.22Å; M1-F71 HydrophobicContact CE-CZ 3.01Å; I6-F71 HydrophobicContact CG2-CE2 4.2Å; V20-F71 HydrophobicContact CG1-CZ 4.18Å; V20-F71 HydrophobicContact CG2-CZ 4.33Å; F55-F71 HydrophobicContact CD1-CB 4.38Å; F55-F71 AromaticContact CD1-CD1 3.65Å; F55-F71 HydrophobicContact CD1-CD1 3.65Å; F55-F71 HydrophobicContact CD1-CD2 4.24Å; F55-F71 AromaticContact CD1-CE1 3.79Å; F55-F71 HydrophobicContact CD1-CE1 3.79Å; F55-F71 HydrophobicContact CD1-CE2 4.35Å; F55-F71 AromaticContact CD1-CG 3.87Å; F55-F71 HydrophobicContact CD1-CG 3.87Å; F55-F71 HydrophobicContact CD1-CZ 4.11Å; F55-F71 HydrophobicContact CE1-CB 3.58Å; F55-F71 AromaticContact CE1-CD1 3.73Å; F55-F71 HydrophobicContact CE1-CD1 3.73Å; F55-F71 AromaticContact CE1-CD2 3.88Å; F55-F71 HydrophobicContact CE1-CD2 3.88Å; F55-F71 HydrophobicContact CE1-CE1 4.29Å; F55-F71 HydrophobicContact CE1-CE2 4.4Å; F55-F71 AromaticContact CE1-CG 3.49Å; F55-F71 HydrophobicContact CE1-CG 3.49Å; F55-F71 VanDerWaalsContact CE1-CG 3.49Å; F55-F71 HydrophobicContact CZ-CB 4.46Å; V63-F71 WeakPolarHBondContact O-CA 3.33Å; W64-F71 HydrophobicContact CB-CD1 4.12Å; W64-F71 HydrophobicContact CB-CE1 3.95Å; W64-F71 HydrophobicContact CE3-CD1 4.37Å; W64-F71 AromaticContact CE3-CD2 3.92Å; W64-F71 HydrophobicContact CE3-CD2 3.92Å; W64-F71 HydrophobicContact CE3-CE1 4.47Å; W64-F71 HydrophobicContact CE3-CE2 4.05Å; W64-F71 HydrophobicContact CE3-CG 4.11Å; W64-F71 HydrophobicContact CE3-CZ 4.35Å; W64-F71 HydrophobicContact CZ3-CD2 4.26Å; W64-F71 HydrophobicContact CZ3-CE2 4.44Å
72E85Confident76.9Confident42 Ų4263.5 Ų63.520%0.19630%0.3CS..EExtended strand (participates in β ladder)trans-111.4146.9179-68.3178.5-172.600109.1Y62 V63 N65 T68 I74 R75Y62-E72 CarbonylContact C-O 3.48Å; Y62-E72 VanDerWaalsContact CA-O 3.24Å; Y62-E72 WeakPolarHBondContact CA-O 3.37Å; V63-E72 PolarHBondContact N-O 3.18Å; V63-E72 PolarHBondContact O-N 3.48Å; N65-E72 HydrophobicContact CB-CG 4.3Å; N65-E72 PolarHBondContact ND2-OE1 2.78Å; N65-E72 PolarHBondContact ND2-OE2 3.3Å; N65-E72 VanDerWaalsContact ND2-OE2 3.08Å; T68-E72 WeakPolarHBondContact CB-OE1 3.49Å; T68-E72 VanDerWaalsContact CG2-OE1 3.3Å; T68-E72 WeakPolarHBondContact CG2-OE1 3.39Å; T68-E72 PolarHBondContact OG1-OE1 3.11Å; E72-I74 PolarHBondContact O-N 2.91Å; E72-R75 IonicContact OE2-NE 3.39Å; E72-R75 IonicContact OE2-NH2 3.23Å; E72-R75 PolarHBondContact OE2-NH2 3.14Å
73L85Confident76.2Confident75 Ų7564.8 Ų64.839%0.39331%0.308SS..EExtended strand (participates in β ladder)trans-59.9138.2169.1-178.761.3000108.4L60 Y62 R75 Y294L60-L73 HydrophobicContact CB-CD1 3.68Å; L60-L73 HydrophobicContact CD1-CD1 3.73Å; L60-L73 HydrophobicContact CD1-CD2 4.22Å; L60-L73 HydrophobicContact CD2-CD1 4.18Å; L60-L73 HydrophobicContact CG-CD1 4.05Å; Y62-L73 HydrophobicContact CD1-CB 4.24Å; Y62-L73 HydrophobicContact CE1-CB 4.04Å; Y62-L73 HydrophobicContact CE1-CD1 4.32Å; Y62-L73 HydrophobicContact CE2-CD1 4.46Å; L73-R75 PolarHBondContact O-N 3.34Å; L73-R75 VanDerWaalsContact O-N 3.09Å; L73-Y294 HydrophobicContact CD1-CE1 3.92Å
74I80.5Confident75.9Confident14 Ų1468.9 Ų68.97%0.07233%0.325CS..PPolyproline II helixtrans-53.6122.5176.1-72-175000109.9K61 V63 E72 G76 L102 Y103 Y294K61-I74 HydrophobicContact CB-CD1 3.76Å; K61-I74 HydrophobicContact CB-CG1 4.33Å; K61-I74 HydrophobicContact CD-CD1 3.51Å; K61-I74 HydrophobicContact CG-CD1 3.81Å; K61-I74 WeakPolarHBondContact O-CG1 3.4Å; K61-I74 PolarHBondContact O-N 3.37Å; V63-I74 HydrophobicContact CB-CG1 4.19Å; V63-I74 HydrophobicContact CG2-CD1 3.5Å; V63-I74 HydrophobicContact CG2-CG1 3.34Å; E72-I74 PolarHBondContact O-N 2.91Å; I74-G76 PolarHBondContact O-N 2.83Å; I74-L102 HydrophobicContact CD1-CD1 3.84Å; I74-L102 HydrophobicContact CD1-CG 4.34Å; I74-L102 VanDerWaalsContact CD1-O 3.26Å; I74-L102 WeakPolarHBondContact CD1-O 3.4Å; I74-L102 HydrophobicContact CG2-CG 4.47Å; I74-Y103 HydrophobicContact CG2-CD1 3.74Å; I74-Y103 HydrophobicContact CG2-CE1 3.41Å; I74-Y103 VanDerWaalsContact CG2-CE1 3.41Å; I74-Y294 HydrophobicContact CB-CE1 4.46Å
75R69.4Low75.8Confident140 Ų14066.1 Ų66.153%0.52832%0.315SS..PPolyproline II helixtrans-67124.6171.6-62-178.5-177.4-161.37.1107.8E72 L73 E79 Y103E72-R75 IonicContact OE2-NE 3.39Å; E72-R75 IonicContact OE2-NH2 3.23Å; E72-R75 PolarHBondContact OE2-NH2 3.14Å; L73-R75 PolarHBondContact O-N 3.34Å; L73-R75 VanDerWaalsContact O-N 3.09Å; R75-E79 WeakPolarHBondContact CB-OE2 3.41Å; R75-E79 WeakPolarHBondContact CD-OE2 3.44Å; R75-E79 WeakPolarHBondContact CG-OE2 3.45Å; R75-E79 IonicContact NE-OE2 3.73Å; R75-Y103 WeakPolarHBondContact O-CE1 3.35Å; R75-Y103 PolarHBondContact O-OH 3.06Å
76G66.7Low75.8Confident12 Ų1267 Ų6712%0.12432%0.319CS..PPolyproline II helixtrans-81.5172174.600000111.2I74 H78 E79I74-G76 PolarHBondContact O-N 2.83Å; G76-H78 WeakPolarHBondContact CA-ND1 3.37Å; G76-H78 PolarHBondContact N-CE1 2.9Å; G76-H78 PolarHBondContact O-N 2.98Å; G76-E79 PolarHBondContact O-N 3.42Å; G76-E79 VanDerWaalsContact O-N 3.16Å
77W65.2Low76.1Confident41 Ų4169.5 Ų69.516%0.15532%0.321CS..THydrogen-bonded Turntrans-668.7175.1-124.551.7000114.5T80 P204 G205 V287 A289W77-T80 PolarHBondContact O-OG1 3.49Å; W77-P204 HydrophobicContact CB-CB 3.97Å; W77-P204 HydrophobicContact CG-CB 4.16Å; W77-G205 VanDerWaalsContact CE2-CA 3.48Å; W77-V287 HydrophobicContact CE3-CG1 4.43Å; W77-V287 HydrophobicContact CE3-CG2 4.03Å; W77-V287 HydrophobicContact CH2-CG2 3.69Å; W77-V287 HydrophobicContact CZ3-CB 4.09Å; W77-V287 HydrophobicContact CZ3-CG1 3.81Å; W77-V287 HydrophobicContact CZ3-CG2 3.16Å; W77-A289 WeakPolarHBondContact CB-O 3.45Å; W77-A289 PolarHBondContact N-O 3.4Å
78H61.7Low76.6Confident28 Ų2862.4 Ų62.413%0.1329%0.291CS..THydrogen-bonded Turntrans-93.7-6.8174.560.6-79.8000112.2G76 F257 R290G76-H78 WeakPolarHBondContact CA-ND1 3.37Å; G76-H78 PolarHBondContact N-CE1 2.9Å; G76-H78 PolarHBondContact O-N 2.98Å; H78-F257 HydrophobicContact CB-CD1 4.18Å; H78-F257 CarbonylContact O-C 3.49Å; H78-R290 PolarHBondContact CD2-NH2 3.39Å; H78-R290 PolarHBondContact CE1-NE 2.84Å; H78-R290 VanDerWaalsContact CE1-NE 3.31Å; H78-R290 PolarHBondContact CE1-NH2 3.12Å; H78-R290 VanDerWaalsContact CE1-NH2 3.29Å; H78-R290 PolarHBondContact ND1-NE 3.4Å; H78-R290 PolarHBondContact NE2-NH2 3.4Å
79E64Low76.9Confident89 Ų8965.9 Ų65.942%0.41630%0.302SS..SBendtrans-100.813.9172.9-60.8-173.5179.500112.2R75 G76 L256R75-E79 WeakPolarHBondContact CB-OE2 3.41Å; R75-E79 WeakPolarHBondContact CD-OE2 3.44Å; R75-E79 WeakPolarHBondContact CG-OE2 3.45Å; R75-E79 IonicContact NE-OE2 3.73Å; G76-E79 PolarHBondContact O-N 3.42Å; G76-E79 VanDerWaalsContact O-N 3.16Å; E79-L256 WeakPolarHBondContact O-CD2 3.4Å
80T69.7Low77.4Confident22 Ų2256.8 Ų56.814%0.13527%0.269CS..SBendtrans-78.8159.5172.740.50000111.3W77 I85 F257W77-T80 PolarHBondContact O-OG1 3.49Å; T80-I85 WeakPolarHBondContact OG1-CG1 3.4Å; T80-F257 PolarHBondContact O-N 2.82Å; T80-F257 VanDerWaalsContact O-N 3.12Å
81A70.1Confident77.7Confident29 Ų2951.5 Ų51.524%0.2425%0.25CS..BIsolated β-bridgetrans-67.9144.1176.500000110.3E83 E84 I85A81-E83 VanDerWaalsContact C-N 3.27Å; A81-E83 PolarHBondContact O-N 3.03Å; A81-E84 HydrophobicContact CB-CB 4.42Å; A81-E84 WeakPolarHBondContact O-CB 3.3Å; A81-E84 PolarHBondContact O-N 3.42Å; A81-I85 PolarHBondContact O-N 3.27Å
82Y72.7Confident77.8Confident13 Ų1352.4 Ų52.45%0.05126%0.257CS..Hα-helixtrans-54-41.7-178.3-159.9-85.4000113.8E84 I85 L86 L247 T248 T255 F257 H262Y82-E84 VanDerWaalsContact C-N 3.32Å; Y82-E84 PolarHBondContact O-N 3.25Å; Y82-I85 PolarHBondContact O-N 3.22Å; Y82-L86 HydrophobicContact CD1-CD1 3.77Å; Y82-L86 HydrophobicContact CD1-CG 4.36Å; Y82-L86 HydrophobicContact CE1-CD1 3.69Å; Y82-L86 HydrophobicContact CE1-CG 4.34Å; Y82-L86 PolarHBondContact O-N 3.16Å; Y82-L247 HydrophobicContact CD1-CD2 4.45Å; Y82-L247 HydrophobicContact CD2-CD2 4.49Å; Y82-L247 HydrophobicContact CE1-CD1 4.38Å; Y82-L247 HydrophobicContact CE1-CD2 4.11Å; Y82-L247 HydrophobicContact CE1-CG 3.9Å; Y82-L247 HydrophobicContact CE2-CD1 3.56Å; Y82-L247 HydrophobicContact CE2-CD2 4.14Å; Y82-L247 HydrophobicContact CE2-CG 3.95Å; Y82-L247 VanDerWaalsContact CZ-CD1 3.47Å; Y82-L247 VanDerWaalsContact CZ-CG 3.47Å; Y82-L247 WeakPolarHBondContact OH-CD1 3.37Å; Y82-L247 WeakPolarHBondContact OH-CG 3.48Å; Y82-T248 WeakPolarHBondContact CE1-O 3.3Å; Y82-T248 PolarHBondContact OH-N 2.88Å; Y82-T248 PolarHBondContact OH-O 3.2Å; Y82-T255 WeakPolarHBondContact CB-O 3.21Å; Y82-T255 PolarHBondContact N-O 3.34Å; Y82-F257 HydrophobicContact CD2-CD2 4.31Å; Y82-F257 HydrophobicContact CE2-CD2 4.45Å; Y82-H262 AromaticContact CE2-NE2 3.88Å
83E75.7Confident77.8Confident86 Ų8653.4 Ų53.440%0.40226%0.264SS..Hα-helixtrans-65.3-35179-69168.1-126.800112.4A81 I85 L86 D87 K253 G254A81-E83 VanDerWaalsContact C-N 3.27Å; A81-E83 PolarHBondContact O-N 3.03Å; E83-I85 VanDerWaalsContact C-N 3.33Å; E83-L86 PolarHBondContact O-N 3.42Å; E83-D87 PolarHBondContact O-N 3.15Å; E83-K253 WeakPolarHBondContact OE1-CA 3.3Å; E83-K253 WeakPolarHBondContact OE1-CB 3.48Å; E83-K253 VanDerWaalsContact OE1-CG 3.29Å; E83-K253 WeakPolarHBondContact OE1-CG 3.34Å; E83-G254 PolarHBondContact OE1-N 3.26Å; E83-G254 VanDerWaalsContact OE1-N 3.13Å
84E79.6Confident77.6Confident114 Ų11457.8 Ų57.853%0.53328%0.282SS..Hα-helixtrans-70.8-32.3-179.7-169.2178.8-177.900111.6A81 Y82 S88A81-E84 HydrophobicContact CB-CB 4.42Å; A81-E84 WeakPolarHBondContact O-CB 3.3Å; A81-E84 PolarHBondContact O-N 3.42Å; Y82-E84 VanDerWaalsContact C-N 3.32Å; Y82-E84 PolarHBondContact O-N 3.25Å; E84-S88 PolarHBondContact O-N 2.95Å
85I83.3Confident77.8Confident1 Ų159.4 Ų59.41%0.00529%0.293CS..Hα-helixtrans-69.5-40.7174.9-60.6168000110.3T80 A81 Y82 E83 S88 I222 L224 L247 F257 V287T80-I85 WeakPolarHBondContact OG1-CG1 3.4Å; A81-I85 PolarHBondContact O-N 3.27Å; Y82-I85 PolarHBondContact O-N 3.22Å; E83-I85 VanDerWaalsContact C-N 3.33Å; I85-S88 VanDerWaalsContact O-CB 3.24Å; I85-S88 WeakPolarHBondContact O-CB 3.46Å; I85-S88 PolarHBondContact O-N 3.23Å; I85-S88 PolarHBondContact O-OG 2.76Å; I85-I222 HydrophobicContact CD1-CD1 4.02Å; I85-I222 HydrophobicContact CG2-CB 4.47Å; I85-I222 HydrophobicContact CG2-CD1 4Å; I85-I222 HydrophobicContact CG2-CG2 4.15Å; I85-L224 HydrophobicContact CG2-CD2 4.41Å; I85-L247 HydrophobicContact CB-CD2 4.21Å; I85-L247 HydrophobicContact CG2-CD2 3.77Å; I85-F257 HydrophobicContact CD1-CB 3.51Å; I85-F257 HydrophobicContact CD1-CD1 4.29Å; I85-F257 HydrophobicContact CD1-CD2 3.91Å; I85-F257 HydrophobicContact CD1-CG 3.66Å; I85-V287 HydrophobicContact CG2-CG1 3.98Å
86L81.2Confident78.6Confident53 Ų5353 Ų5328%0.27727%0.27SS..Hα-helixtrans-70.4-38.1178.8-72.6174.2000112.9Y82 E83 S88 L247 D249Y82-L86 HydrophobicContact CD1-CD1 3.77Å; Y82-L86 HydrophobicContact CD1-CG 4.36Å; Y82-L86 HydrophobicContact CE1-CD1 3.69Å; Y82-L86 HydrophobicContact CE1-CG 4.34Å; Y82-L86 PolarHBondContact O-N 3.16Å; E83-L86 PolarHBondContact O-N 3.42Å; L86-S88 PolarHBondContact O-N 3.41Å; L86-L247 HydrophobicContact CD2-CB 3.96Å; L86-L247 HydrophobicContact CD2-CD2 4Å; L86-L247 HydrophobicContact CD2-CG 4.1Å; L86-L247 HydrophobicContact CG-CD2 4.12Å; L86-D249 WeakPolarHBondContact CD1-OD1 3.45Å
87D82Confident79.3Confident100 Ų10054.9 Ų54.954%0.53528%0.277SS..THydrogen-bonded Turntrans-87.228.7173.9-167.836.7000112.5E83 K89E83-D87 PolarHBondContact O-N 3.15Å; D87-K89 PolarHBondContact O-N 3.16Å; D87-K89 WeakPolarHBondContact OD1-CE 3.45Å; D87-K89 IonicContact OD1-NZ 2.68Å; D87-K89 WeakPolarHBondContact OD2-CE 3.28Å; D87-K89 IonicContact OD2-NZ 3.54Å; D87-K89 PolarHBondContact OD2-NZ 3.39Å
88S85.1Confident79.9Confident20 Ų2057.7 Ų57.714%0.1429%0.292CS..  trans-62.9128.3179.245.40000110.9E84 I85 L86 L224E84-S88 PolarHBondContact O-N 2.95Å; I85-S88 VanDerWaalsContact O-CB 3.24Å; I85-S88 WeakPolarHBondContact O-CB 3.46Å; I85-S88 PolarHBondContact O-N 3.23Å; I85-S88 PolarHBondContact O-OG 2.76Å; L86-S88 PolarHBondContact O-N 3.41Å; S88-L224 WeakPolarHBondContact OG-CD1 3.17Å
89K87.1Confident81Confident122 Ų12257.1 Ų57.153%0.5329%0.291SS..  trans-110.2152.9-177.7-76.4165.3-168.3148.50110.4D87 L91D87-K89 PolarHBondContact O-N 3.16Å; D87-K89 WeakPolarHBondContact OD1-CE 3.45Å; D87-K89 IonicContact OD1-NZ 2.68Å; D87-K89 WeakPolarHBondContact OD2-CE 3.28Å; D87-K89 IonicContact OD2-NZ 3.54Å; D87-K89 PolarHBondContact OD2-NZ 3.39Å; K89-L91 PolarHBondContact O-N 2.97Å
90P89.9Confident82Confident11 Ų1155.7 Ų55.77%0.07128%0.281CS..PPolyproline II helixtrans-55.7132.4175.322.4-31.8000109.9Y185 E187 K192P90-Y185 HydrophobicContact CB-CD1 3.82Å; P90-Y185 HydrophobicContact CB-CE1 3.88Å; P90-Y185 HydrophobicContact CB-CG 4.29Å; P90-Y185 HydrophobicContact CG-CD1 4.2Å; P90-Y185 HydrophobicContact CG-CE1 3.74Å; P90-E187 HydrophobicContact CB-CB 4.44Å; P90-K192 HydrophobicContact CG-CB 4.46Å; P90-K192 HydrophobicContact CG-CD 3.73Å; P90-K192 HydrophobicContact CG-CG 3.85Å
91L90.1Very high82.2Confident21 Ų2155.4 Ų55.411%0.1128%0.281CS..EExtended strand (participates in β ladder)trans-75.7140.6-178.7-64-176000111.1K89 T95 V96 E187 V203 G205K89-L91 PolarHBondContact O-N 2.97Å; L91-T95 HydrophobicContact CD2-CG2 3.95Å; L91-V96 HydrophobicContact CB-CG2 3.8Å; L91-V96 HydrophobicContact CD1-CG2 4.27Å; L91-E187 PolarHBondContact O-N 3.15Å; L91-V203 HydrophobicContact CD1-CG2 4.19Å; L91-G205 VanDerWaalsContact CD1-C 3.45Å
92N89.3Confident82.7Confident68 Ų6856.3 Ų56.336%0.36428%0.281SS..EExtended strand (participates in β ladder)trans-81156.4170.5-63.732.2000110.3E94 T95 V96 E187N92-E94 VanDerWaalsContact C-N 3.26Å; N92-E94 PolarHBondContact O-N 3.13Å; N92-T95 PolarHBondContact O-N 3.3Å; N92-V96 WeakPolarHBondContact O-CG2 3.38Å; N92-V96 PolarHBondContact O-N 3.4Å; N92-E187 WeakPolarHBondContact CA-O 3.29Å; N92-E187 PolarHBondContact ND2-OE1 2.7Å; N92-E187 WeakPolarHBondContact OD1-CB 3.24Å
93N84.7Confident83.2Confident63 Ų6357.2 Ų57.234%0.33729%0.285SS..Hα-helixtrans-54.6-36.8-179.6-82.7-22.2000114.2V96 L97 E188N93-V96 PolarHBondContact O-N 2.89Å; N93-L97 VanDerWaalsContact O-CG 3.29Å; N93-L97 WeakPolarHBondContact O-CG 3.4Å; N93-L97 PolarHBondContact O-N 2.97Å; N93-E188 WeakPolarHBondContact ND2-CG 3.33Å
94E81.5Confident83.6Confident166 Ų16654.1 Ų54.178%0.77628%0.276SS*.Hα-helixtrans-63.7-44176.2-65.1-169.7164.100112.1N92 L97 M98N92-E94 VanDerWaalsContact C-N 3.26Å; N92-E94 PolarHBondContact O-N 3.13Å; E94-L97 PolarHBondContact O-N 3.46Å; E94-M98 PolarHBondContact O-N 3.11Å
95T84.8Confident83.8Confident49 Ų4952.9 Ų52.930%0.30127%0.271SS..Hα-helixtrans-66.3-39.7177.7-47.80000111.2L91 N92 L97 M98 N99L91-T95 HydrophobicContact CD2-CG2 3.95Å; N92-T95 PolarHBondContact O-N 3.3Å; T95-L97 VanDerWaalsContact C-N 3.32Å; T95-L97 PolarHBondContact O-N 2.91Å; T95-M98 HydrophobicContact CG2-CE 4.47Å; T95-M98 PolarHBondContact O-N 3.49Å; T95-N99 WeakPolarHBondContact O-CB 3.34Å; T95-N99 PolarHBondContact O-N 3.46Å
96V85.7Confident84Confident5 Ų553.4 Ų53.43%0.0327%0.274CS..Hα-helixtrans-60.2-44.1174.91740000110.7L91 N92 N93 R100 V203L91-V96 HydrophobicContact CB-CG2 3.8Å; L91-V96 HydrophobicContact CD1-CG2 4.27Å; N92-V96 WeakPolarHBondContact O-CG2 3.38Å; N92-V96 PolarHBondContact O-N 3.4Å; N93-V96 PolarHBondContact O-N 2.89Å; V96-R100 WeakPolarHBondContact O-CB 3.23Å; V96-R100 PolarHBondContact O-N 3.32Å; V96-V203 HydrophobicContact CG1-CG2 4.13Å
97L81.5Confident84.2Confident52 Ų5255.1 Ų55.127%0.27228%0.281SS..Hα-helixtrans-64.9-42.2177.2-72.7167.4000112.3V28 N93 E94 T95 R100 A101V28-L97 HydrophobicContact CG2-CD1 3.38Å; V28-L97 HydrophobicContact CG2-CD2 4.49Å; N93-L97 VanDerWaalsContact O-CG 3.29Å; N93-L97 WeakPolarHBondContact O-CG 3.4Å; N93-L97 PolarHBondContact O-N 2.97Å; E94-L97 PolarHBondContact O-N 3.46Å; T95-L97 VanDerWaalsContact C-N 3.32Å; T95-L97 PolarHBondContact O-N 2.91Å; L97-R100 PolarHBondContact O-N 3.26Å; L97-A101 PolarHBondContact O-N 3.07Å
98M78.8Confident83.9Confident99 Ų9951.1 Ų51.149%0.48826%0.26SS..Hα-helixtrans-63.5-48.1176.4-175174.86800111.5I25 E94 T95 R100 A101 L102I25-M98 HydrophobicContact CD1-CG 4.45Å; E94-M98 PolarHBondContact O-N 3.11Å; T95-M98 HydrophobicContact CG2-CE 4.47Å; T95-M98 PolarHBondContact O-N 3.49Å; M98-R100 VanDerWaalsContact C-N 3.31Å; M98-R100 PolarHBondContact O-N 2.92Å; M98-A101 WeakPolarHBondContact O-CB 3.46Å; M98-A101 PolarHBondContact O-N 3.48Å; M98-A101 VanDerWaalsContact O-N 3.15Å; M98-L102 PolarHBondContact O-N 2.8Å
99N84.3Confident83.3Confident17 Ų1752.6 Ų52.69%0.09127%0.27CS..Hα-helixtrans-64.4-37.5177.5-72.61.9000111.1T95 A101 L102 Y103 V203 P204T95-N99 WeakPolarHBondContact O-CB 3.34Å; T95-N99 PolarHBondContact O-N 3.46Å; N99-A101 VanDerWaalsContact C-N 3.32Å; N99-A101 PolarHBondContact O-N 3.31Å; N99-L102 PolarHBondContact O-N 3.35Å; N99-Y103 HydrophobicContact CB-CD2 4.2Å; N99-Y103 HydrophobicContact CB-CE2 4.45Å; N99-Y103 VanDerWaalsContact O-CD2 3.27Å; N99-Y103 WeakPolarHBondContact O-CD2 3.46Å; N99-Y103 PolarHBondContact O-N 3.3Å; N99-V203 HydrophobicContact CB-CB 3.95Å; N99-V203 HydrophobicContact CB-CG1 4.47Å; N99-V203 HydrophobicContact CB-CG2 3.97Å; N99-P204 PolarHBondContact ND2-O 3.42Å
100R84.7Confident82.5Confident59 Ų5947.7 Ų47.722%0.22325%0.249CC..Hα-helixtrans-63.2-37.4173.9-172.7174.1-73.4169.42.4112.1V96 L97 M98 G104 M105 S201 V203V96-R100 WeakPolarHBondContact O-CB 3.23Å; V96-R100 PolarHBondContact O-N 3.32Å; L97-R100 PolarHBondContact O-N 3.26Å; M98-R100 VanDerWaalsContact C-N 3.31Å; M98-R100 PolarHBondContact O-N 2.92Å; R100-G104 WeakPolarHBondContact O-CA 3.47Å; R100-G104 PolarHBondContact O-N 3.34Å; R100-M105 HydrophobicContact CG-CE 4.43Å; R100-M105 HydrophobicContact CG-SD 3.97Å; R100-S201 PolarHBondContact NH2-O 3.45Å; R100-V203 HydrophobicContact CB-CG1 3.81Å; R100-V203 HydrophobicContact CG-CG1 4.45Å
101A74.8Confident81.6Confident15 Ų1553.9 Ų53.912%0.12428%0.282CS..Hα-helixtrans-66.2-40.5174.200000111.7I25 K61 L97 M98 N99I25-A101 HydrophobicContact CD1-CB 4.45Å; K61-A101 PolarHBondContact NZ-O 2.95Å; L97-A101 PolarHBondContact O-N 3.07Å; M98-A101 WeakPolarHBondContact O-CB 3.46Å; M98-A101 PolarHBondContact O-N 3.48Å; M98-A101 VanDerWaalsContact O-N 3.15Å; N99-A101 VanDerWaalsContact C-N 3.32Å; N99-A101 PolarHBondContact O-N 3.31Å
102L79.3Confident80.9Confident48 Ų4855.6 Ų55.625%0.25129%0.291SS..Hα-helixtrans-68.9-58.6179.9-17559.5000112.2M52 K61 I74 M98 N99M52-L102 HydrophobicContact CE-CB 4.49Å; M52-L102 HydrophobicContact CE-CD1 3.3Å; M52-L102 HydrophobicContact CE-CG 4.47Å; M52-L102 HydrophobicContact SD-CD1 3.71Å; K61-L102 PolarHBondContact NZ-O 3.05Å; I74-L102 HydrophobicContact CD1-CD1 3.84Å; I74-L102 HydrophobicContact CD1-CG 4.34Å; I74-L102 VanDerWaalsContact CD1-O 3.26Å; I74-L102 WeakPolarHBondContact CD1-O 3.4Å; I74-L102 HydrophobicContact CG2-CG 4.47Å; M98-L102 PolarHBondContact O-N 2.8Å; N99-L102 PolarHBondContact O-N 3.35Å
103Y83.4Confident80.4Confident32 Ų3254.4 Ų54.413%0.12529%0.286CS..Hα-helixtrans-89.5-22.6-171.7-61-75.1000114I74 R75 N99 P204I74-Y103 HydrophobicContact CG2-CD1 3.74Å; I74-Y103 HydrophobicContact CG2-CE1 3.41Å; I74-Y103 VanDerWaalsContact CG2-CE1 3.41Å; R75-Y103 WeakPolarHBondContact O-CE1 3.35Å; R75-Y103 PolarHBondContact O-OH 3.06Å; N99-Y103 HydrophobicContact CB-CD2 4.2Å; N99-Y103 HydrophobicContact CB-CE2 4.45Å; N99-Y103 VanDerWaalsContact O-CD2 3.27Å; N99-Y103 WeakPolarHBondContact O-CD2 3.46Å; N99-Y103 PolarHBondContact O-N 3.3Å; Y103-P204 HydrophobicContact CD1-CG 3.94Å; Y103-P204 HydrophobicContact CD2-CB 4.14Å; Y103-P204 HydrophobicContact CD2-CG 3.61Å; Y103-P204 HydrophobicContact CE1-CG 4.23Å; Y103-P204 HydrophobicContact CE2-CB 4Å; Y103-P204 HydrophobicContact CE2-CG 3.93Å; Y103-P204 HydrophobicContact CG-CG 3.61Å
104G84Confident80.5Confident21 Ų2154.6 Ų54.622%0.21629%0.292CS..  trans86.9-172.1-171.400000112.7R100R100-G104 WeakPolarHBondContact O-CA 3.47Å; R100-G104 PolarHBondContact O-N 3.34Å
105M84.9Confident80.7Confident88 Ų8851.1 Ų51.143%0.43328%0.278SS..  trans-76.6152.4174.4-63.2-62.8-167.300110.7R100 E107 I200R100-M105 HydrophobicContact CG-CE 4.43Å; R100-M105 HydrophobicContact CG-SD 3.97Å; M105-E107 HydrophobicContact CB-CG 3.97Å; M105-E107 PolarHBondContact O-N 3Å; M105-I200 HydrophobicContact CB-CG2 4.2Å
106N87.7Confident80.7Confident12 Ų1254.7 Ų54.76%0.06429%0.294CS..SBendtrans-79.660.2173-174.842.8000111.1S199 I200 L202 Q218 T291 G292N106-S199 WeakPolarHBondContact CB-O 3.49Å; N106-S199 PolarHBondContact ND2-O 3.31Å; N106-I200 PolarHBondContact N-O 3.42Å; N106-L202 HydrophobicContact CB-CB 4.19Å; N106-Q218 PolarHBondContact ND2-O 3.22Å; N106-Q218 PolarHBondContact OD1-O 3.43Å; N106-T291 HydrophobicContact CB-CG2 4.02Å; N106-T291 WeakPolarHBondContact OD1-CA 3.48Å; N106-T291 VanDerWaalsContact OD1-CB 3.28Å; N106-T291 WeakPolarHBondContact OD1-CB 3.21Å; N106-G292 PolarHBondContact OD1-N 3.41Å
107E84.7Confident80.8Confident89 Ų8961.9 Ų61.942%0.41632%0.32SS..  trans-131.4145.517563.7174.8-166.800111.3M105 S109 I200M105-E107 HydrophobicContact CB-CG 3.97Å; M105-E107 PolarHBondContact O-N 3Å; E107-S109 PolarHBondContact O-N 3.28Å; E107-I200 HydrophobicContact CB-CG2 4.22Å
108I76.9Confident80.8Confident17 Ų1760 Ų609%0.08731%0.31CS..  trans-95.581.2167.9-61.2178.2000105.8I110 C177 F293 K297 V301I108-I110 HydrophobicContact CG2-CG1 4.45Å; I108-I110 PolarHBondContact O-N 3Å; I108-C177 PolarHBondContact O-SG 3.49Å; I108-F293 HydrophobicContact CB-CZ 4.43Å; I108-F293 HydrophobicContact CG2-CD1 4.37Å; I108-F293 HydrophobicContact CG2-CE1 3.63Å; I108-F293 HydrophobicContact CG2-CZ 3.74Å; I108-K297 HydrophobicContact CD1-CG 4.38Å; I108-V301 HydrophobicContact CD1-CG2 4.06Å; I108-V301 HydrophobicContact CG2-CB 4.17Å; I108-V301 HydrophobicContact CG2-CG1 3.64Å; I108-V301 HydrophobicContact CG2-CG2 4.36Å
109S70.9Confident81.2Confident50 Ų5058.7 Ų58.735%0.3531%0.305SS..  trans-80110.6-176.848.50000111.1E107E107-S109 PolarHBondContact O-N 3.28Å
110I71Confident81.3Confident20 Ų2062.3 Ų62.310%0.10332%0.324CS..  trans-98105.3173.1-54.8179.9000107.3I108 L112 L172 M176 V301 L305I108-I110 HydrophobicContact CG2-CG1 4.45Å; I108-I110 PolarHBondContact O-N 3Å; I110-L112 PolarHBondContact O-N 2.87Å; I110-L172 HydrophobicContact CD1-CD2 3.38Å; I110-L172 HydrophobicContact CG2-CD2 4.21Å; I110-M176 HydrophobicContact CD1-CB 4.09Å; I110-M176 HydrophobicContact CD1-CG 4.42Å; I110-M176 HydrophobicContact CD1-SD 3.63Å; I110-V301 HydrophobicContact CD1-CG1 4.39Å; I110-L305 HydrophobicContact CD1-CD2 4.33Å; I110-L305 HydrophobicContact CG1-CD1 4.39Å; I110-L305 HydrophobicContact CG2-CD2 4.33Å
111N71.4Confident81.1Confident141 Ų14163.8 Ų63.875%0.75434%0.336SS*.  trans-72.9111.1179.1-73.7-27000109.6T113N111-T113 PolarHBondContact O-N 3.44Å
112L75Confident81.4Confident57 Ų5764.8 Ų64.830%0.29834%0.338SS..PPolyproline II helixtrans-62.6121.1173-76.4-179.4000109.5I110 R166 E169 K173I110-L112 PolarHBondContact O-N 2.87Å; L112-R166 VanDerWaalsContact CB-NH1 3.32Å; L112-E169 HydrophobicContact CD2-CB 3.72Å; L112-K173 HydrophobicContact CD1-CD 3.9Å; L112-K173 HydrophobicContact CD2-CD 4.32Å; L112-K173 HydrophobicContact CG-CD 3.86Å
113T78.9Confident81.6Confident43 Ų4364.2 Ų64.226%0.26434%0.338SS..PPolyproline II helixtrans-61.8148173.755.20000110N111 L118 R166 E169N111-T113 PolarHBondContact O-N 3.44Å; T113-L118 WeakPolarHBondContact OG1-CD1 3.46Å; T113-L118 WeakPolarHBondContact OG1-CD2 3.49Å; T113-L118 WeakPolarHBondContact OG1-CG 3.49Å; T113-R166 PolarHBondContact O-NH1 3.31Å; T113-R166 PolarHBondContact O-NH2 2.92Å; T113-E169 VanDerWaalsContact OG1-CD 3.27Å; T113-E169 PolarHBondContact OG1-OE1 3.46Å; T113-E169 PolarHBondContact OG1-OE2 3.15Å; T113-E169 VanDerWaalsContact OG1-OE2 3.09Å
114S85.5Confident81.6Confident66 Ų6668.3 Ų68.346%0.46236%0.361SS..PPolyproline II helixtrans-74.1146.9177.570.80000109.8I116 R117 L118S114-I116 PolarHBondContact O-N 2.71Å; S114-R117 PolarHBondContact O-N 3.27Å; S114-R117 WeakPolarHBondContact OG-CB 3.1Å; S114-R117 PolarHBondContact OG-N 2.84Å; S114-L118 PolarHBondContact O-N 3.18Å
115I86.1Confident81.3Confident93 Ų9370.3 Ų70.348%0.47737%0.367SS..Hα-helixtrans-58.8-37.2-179.5-61.1171.2000110.7L118 L119 V162I115-L118 PolarHBondContact O-N 3.1Å; I115-L119 WeakPolarHBondContact O-CB 3.26Å; I115-L119 PolarHBondContact O-N 3.41Å; I115-V162 HydrophobicContact CG2-CG1 4.25Å
116I86.3Confident80.8Confident125 Ų12570.5 Ų70.564%0.64138%0.375SS*.Hα-helixtrans-64.7-42.7177.4-60.4172.8000110.7S114 L119 L120S114-I116 PolarHBondContact O-N 2.71Å; I116-L119 PolarHBondContact O-N 2.89Å; I116-L120 HydrophobicContact CG2-CD1 4.07Å; I116-L120 HydrophobicContact CG2-CG 4.49Å; I116-L120 WeakPolarHBondContact O-CB 3.47Å; I116-L120 VanDerWaalsContact O-CG 3.32Å; I116-L120 WeakPolarHBondContact O-CG 3.49Å; I116-L120 PolarHBondContact O-N 2.9Å
117R85.8Confident80.3Confident155 Ų15571.6 Ų71.659%0.58538%0.379SS*.Hα-helixtrans-66.6-43.8177.2-176.8173.1-179.21653111.7S114 L119 L120 D121S114-R117 PolarHBondContact O-N 3.27Å; S114-R117 WeakPolarHBondContact OG-CB 3.1Å; S114-R117 PolarHBondContact OG-N 2.84Å; R117-L119 VanDerWaalsContact C-N 3.29Å; R117-L119 PolarHBondContact O-N 2.99Å; R117-L120 PolarHBondContact O-N 3.41Å; R117-D121 IonicContact NE-OD2 3.8Å; R117-D121 WeakPolarHBondContact O-CB 3.35Å; R117-D121 VanDerWaalsContact O-CG 3.27Å; R117-D121 PolarHBondContact O-N 3.4Å
118L82.4Confident80.1Confident12 Ų1268.8 Ų68.86%0.06337%0.365CS..Hα-helixtrans-56.6-44.9174.1-75.6175.6000111.8T113 S114 I115 E122 V162 L165 R166T113-L118 WeakPolarHBondContact OG1-CD1 3.46Å; T113-L118 WeakPolarHBondContact OG1-CD2 3.49Å; T113-L118 WeakPolarHBondContact OG1-CG 3.49Å; S114-L118 PolarHBondContact O-N 3.18Å; I115-L118 PolarHBondContact O-N 3.1Å; L118-E122 WeakPolarHBondContact O-CB 3.16Å; L118-E122 PolarHBondContact O-N 3.49Å; L118-V162 HydrophobicContact CB-CG1 4.38Å; L118-L165 HydrophobicContact CD2-CD2 3.6Å; L118-L165 HydrophobicContact CD2-CG 4.23Å; L118-R166 HydrophobicContact CD1-CB 4.41Å
119L86.7Confident80.4Confident73 Ų7370.6 Ų70.638%0.38238%0.379SS..Hα-helixtrans-66-41.7177.9-175.3130.9000111.7I115 I116 R117 C123I115-L119 WeakPolarHBondContact O-CB 3.26Å; I115-L119 PolarHBondContact O-N 3.41Å; I116-L119 PolarHBondContact O-N 2.89Å; R117-L119 VanDerWaalsContact C-N 3.29Å; R117-L119 PolarHBondContact O-N 2.99Å; L119-C123 WeakPolarHBondContact O-CB 3.48Å; L119-C123 PolarHBondContact O-N 3.12Å; L119-C123 PolarHBondContact O-SG 3.4Å
120L86.2Confident81Confident93 Ų9370.9 Ų70.949%0.48737%0.374SS..Hα-helixtrans-64.3-46.9175.7-75.2170.4000112.1I116 R117 E122 C123 L124I116-L120 HydrophobicContact CG2-CD1 4.07Å; I116-L120 HydrophobicContact CG2-CG 4.49Å; I116-L120 WeakPolarHBondContact O-CB 3.47Å; I116-L120 VanDerWaalsContact O-CG 3.32Å; I116-L120 WeakPolarHBondContact O-CG 3.49Å; I116-L120 PolarHBondContact O-N 2.9Å; R117-L120 PolarHBondContact O-N 3.41Å; L120-E122 VanDerWaalsContact C-N 3.3Å; L120-E122 PolarHBondContact O-N 3.39Å; L120-C123 PolarHBondContact O-N 2.99Å; L120-L124 VanDerWaalsContact O-CB 3.28Å; L120-L124 WeakPolarHBondContact O-CB 3.32Å; L120-L124 WeakPolarHBondContact O-CG 3.06Å; L120-L124 PolarHBondContact O-N 2.91Å
121D81.8Confident81.6Confident90 Ų9070.6 Ų70.648%0.48137%0.372SS..Hα-helixtrans-62.2-39.3-179.8-70-19.1000110.9R117R117-D121 IonicContact NE-OD2 3.8Å; R117-D121 WeakPolarHBondContact O-CB 3.35Å; R117-D121 VanDerWaalsContact O-CG 3.27Å; R117-D121 PolarHBondContact O-N 3.4Å
122E81.4Confident82.3Confident35 Ų3568.6 Ų68.616%0.16436%0.36CS..Hα-helixtrans-73.9-41.2176.2-165.164.1-139.800112.1L118 L120 L124 N125 Y128 L158 Q161L118-E122 WeakPolarHBondContact O-CB 3.16Å; L118-E122 PolarHBondContact O-N 3.49Å; L120-E122 VanDerWaalsContact C-N 3.3Å; L120-E122 PolarHBondContact O-N 3.39Å; E122-L124 VanDerWaalsContact C-N 3.31Å; E122-L124 PolarHBondContact O-N 3.48Å; E122-N125 WeakPolarHBondContact O-CB 3.46Å; E122-N125 PolarHBondContact O-N 3.16Å; E122-N125 VanDerWaalsContact O-N 3.16Å; E122-Y128 HydrophobicContact CG-CE2 4.15Å; E122-Y128 VanDerWaalsContact O-CD2 3.28Å; E122-Y128 WeakPolarHBondContact O-CD2 3.35Å; E122-L158 HydrophobicContact CB-CD1 3.72Å; E122-L158 HydrophobicContact CG-CD1 3.28Å; E122-Q161 VanDerWaalsContact CD-CD 3.43Å; E122-Q161 VanDerWaalsContact OE1-CD 3.3Å; E122-Q161 PolarHBondContact OE1-NE2 2.87Å; E122-Q161 PolarHBondContact OE1-OE1 2.73Å; E122-Q161 PolarHBondContact OE2-NE2 2.8Å
123C82.8Confident82.9Confident36 Ų3670.2 Ų70.224%0.24337%0.365CS..Hα-helixtrans-62.1-36174.6-80.30000113.1L119 L120 N125 L158L119-C123 WeakPolarHBondContact O-CB 3.48Å; L119-C123 PolarHBondContact O-N 3.12Å; L119-C123 PolarHBondContact O-SG 3.4Å; L120-C123 PolarHBondContact O-N 2.99Å; C123-N125 PolarHBondContact O-N 3.1Å; C123-L158 WeakPolarHBondContact SG-CD2 3.16Å
124L84Confident83.3Confident118 Ų11868.3 Ų68.362%0.61835%0.353SS*.THydrogen-bonded Turntrans-77.10.2178.8-70.2172.6000113L120 E122L120-L124 VanDerWaalsContact O-CB 3.28Å; L120-L124 WeakPolarHBondContact O-CB 3.32Å; L120-L124 WeakPolarHBondContact O-CG 3.06Å; L120-L124 PolarHBondContact O-N 2.91Å; E122-L124 VanDerWaalsContact C-N 3.31Å; E122-L124 PolarHBondContact O-N 3.48Å
125N77.7Confident83.5Confident64 Ų6465.6 Ų65.634%0.34233%0.334SS..SBendtrans-54.4129.6167.9-172.3-42.7000109E122 C123 F127 Y128 C129E122-N125 WeakPolarHBondContact O-CB 3.46Å; E122-N125 PolarHBondContact O-N 3.16Å; E122-N125 VanDerWaalsContact O-N 3.16Å; C123-N125 PolarHBondContact O-N 3.1Å; N125-F127 PolarHBondContact O-N 2.84Å; N125-F127 WeakPolarHBondContact OD1-CB 3.03Å; N125-F127 PolarHBondContact OD1-N 2.95Å; N125-F127 VanDerWaalsContact OD1-N 3.16Å; N125-Y128 HydrophobicContact CB-CD2 4.02Å; N125-Y128 PolarHBondContact O-N 2.72Å; N125-C129 PolarHBondContact O-N 3.09Å; N125-C129 VanDerWaalsContact O-N 3.09Å
126P74.2Confident83.6Confident92 Ų9266.3 Ų66.360%0.59734%0.338SS*.Hα-helixtrans-50.3-29.8-177.3-29.734.2000113.8F130P126-F130 WeakPolarHBondContact O-CB 3.48Å; P126-F130 PolarHBondContact O-N 3.35Å
127F76Confident83.6Confident35 Ų3561.7 Ų61.715%0.15431%0.314CS..Hα-helixtrans-67.3-51.5177.9-174-100.7000113.6N125 C129 F130 Q131 P363 P364 P367N125-F127 PolarHBondContact O-N 2.84Å; N125-F127 WeakPolarHBondContact OD1-CB 3.03Å; N125-F127 PolarHBondContact OD1-N 2.95Å; N125-F127 VanDerWaalsContact OD1-N 3.16Å; F127-C129 VanDerWaalsContact C-N 3.31Å; F127-C129 PolarHBondContact O-N 3.15Å; F127-F130 PolarHBondContact O-N 3.3Å; F127-Q131 HydrophobicContact CD1-CG 4.27Å; F127-Q131 HydrophobicContact CE1-CG 3.86Å; F127-Q131 HydrophobicContact CZ-CG 4.02Å; F127-Q131 VanDerWaalsContact CZ-NE2 3.31Å; F127-Q131 WeakPolarHBondContact O-CG 3.31Å; F127-Q131 PolarHBondContact O-N 2.96Å; F127-P363 WeakPolarHBondContact CE2-O 3.14Å; F127-P364 WeakPolarHBondContact CZ-O 3.1Å; F127-P367 HydrophobicContact CB-CG 4.42Å; F127-P367 HydrophobicContact CD1-CG 3.56Å; F127-P367 HydrophobicContact CD2-CG 3.46Å; F127-P367 VanDerWaalsContact CD2-CG 3.46Å; F127-P367 HydrophobicContact CE1-CG 3.49Å; F127-P367 VanDerWaalsContact CE1-CG 3.49Å; F127-P367 HydrophobicContact CE2-CG 3.45Å; F127-P367 VanDerWaalsContact CE2-CG 3.45Å; F127-P367 HydrophobicContact CG-CG 3.51Å; F127-P367 HydrophobicContact CZ-CG 3.44Å; F127-P367 VanDerWaalsContact CZ-CG 3.44Å
128Y81.7Confident83.7Confident29 Ų2955.1 Ų55.111%0.11429%0.29CS..Hα-helixtrans-67.4-35.4178-71.2-64.8000111E122 N125 F130 Q131 I132 L158 Q161E122-Y128 HydrophobicContact CG-CE2 4.15Å; E122-Y128 VanDerWaalsContact O-CD2 3.28Å; E122-Y128 WeakPolarHBondContact O-CD2 3.35Å; N125-Y128 HydrophobicContact CB-CD2 4.02Å; N125-Y128 PolarHBondContact O-N 2.72Å; Y128-F130 VanDerWaalsContact C-N 3.35Å; Y128-F130 PolarHBondContact O-N 3.16Å; Y128-Q131 PolarHBondContact O-N 3.03Å; Y128-I132 VanDerWaalsContact O-CG1 3.25Å; Y128-I132 WeakPolarHBondContact O-CG1 3.18Å; Y128-I132 PolarHBondContact O-N 3.34Å; Y128-L158 HydrophobicContact CE2-CD1 4.2Å; Y128-Q161 PolarHBondContact OH-OE1 3.38Å
129C83.6Confident84Confident55 Ų5559.7 Ų59.737%0.37231%0.307SS..Hα-helixtrans-58.7-46.2171.9-69.10000111.8N125 F127 I132 F133N125-C129 PolarHBondContact O-N 3.09Å; N125-C129 VanDerWaalsContact O-N 3.09Å; F127-C129 VanDerWaalsContact C-N 3.31Å; F127-C129 PolarHBondContact O-N 3.15Å; C129-I132 PolarHBondContact O-N 3.5Å; C129-F133 PolarHBondContact O-N 2.91Å; C129-F133 VanDerWaalsContact O-N 3.15Å
130F81.5Confident84Confident57 Ų5759.1 Ų59.125%0.2531%0.309CS..Hα-helixtrans-64.5-42.5175.5-178-94.5000111.9P126 F127 Y128 I132 F133 S134 V362P126-F130 WeakPolarHBondContact O-CB 3.48Å; P126-F130 PolarHBondContact O-N 3.35Å; F127-F130 PolarHBondContact O-N 3.3Å; Y128-F130 VanDerWaalsContact C-N 3.35Å; Y128-F130 PolarHBondContact O-N 3.16Å; F130-I132 PolarHBondContact O-N 2.74Å; F130-F133 WeakPolarHBondContact O-CB 3.15Å; F130-F133 PolarHBondContact O-N 3.35Å; F130-S134 WeakPolarHBondContact CE1-OG 3.45Å; F130-S134 PolarHBondContact O-N 2.82Å; F130-S134 PolarHBondContact O-OG 3.36Å; F130-S134 VanDerWaalsContact O-OG 3.05Å; F130-V362 HydrophobicContact CD1-CB 4.25Å; F130-V362 HydrophobicContact CD1-CG1 3.97Å; F130-V362 HydrophobicContact CE1-CB 3.48Å; F130-V362 VanDerWaalsContact CE1-CB 3.48Å; F130-V362 HydrophobicContact CE1-CG1 3.72Å; F130-V362 HydrophobicContact CE1-CG2 4.16Å; F130-V362 HydrophobicContact CZ-CB 3.81Å; F130-V362 HydrophobicContact CZ-CG1 4.38Å; F130-V362 HydrophobicContact CZ-CG2 4Å
131Q84.1Confident83.6Confident14 Ų1455.4 Ų55.47%0.06529%0.29CS..Hα-helixtrans-61.9-41.3176.4-75.8-173.1-36.200112.9F127 Y128 F133 S134 C135 P364F127-Q131 HydrophobicContact CD1-CG 4.27Å; F127-Q131 HydrophobicContact CE1-CG 3.86Å; F127-Q131 HydrophobicContact CZ-CG 4.02Å; F127-Q131 VanDerWaalsContact CZ-NE2 3.31Å; F127-Q131 WeakPolarHBondContact O-CG 3.31Å; F127-Q131 PolarHBondContact O-N 2.96Å; Y128-Q131 PolarHBondContact O-N 3.03Å; Q131-F133 VanDerWaalsContact C-N 3.34Å; Q131-S134 PolarHBondContact O-N 3.18Å; Q131-C135 WeakPolarHBondContact O-CB 3.46Å; Q131-C135 PolarHBondContact O-N 3.33Å; Q131-C135 PolarHBondContact O-SG 3.27Å; Q131-P364 VanDerWaalsContact NE2-CB 3.33Å; Q131-P364 PolarHBondContact NE2-O 3.44Å; Q131-P364 VanDerWaalsContact NE2-O 3.08Å
132I87.4Confident83.6Confident98 Ų9858.5 Ų58.550%0.50330%0.301SS..Hα-helixtrans-61.2-46.4176.3-69.9164.5000109.9Y128 C129 F130 S134 C135 I136Y128-I132 VanDerWaalsContact O-CG1 3.25Å; Y128-I132 WeakPolarHBondContact O-CG1 3.18Å; Y128-I132 PolarHBondContact O-N 3.34Å; C129-I132 PolarHBondContact O-N 3.5Å; F130-I132 PolarHBondContact O-N 2.74Å; I132-S134 PolarHBondContact O-N 2.92Å; I132-C135 PolarHBondContact O-N 3.39Å; I132-I136 HydrophobicContact CG2-CD1 4.04Å; I132-I136 VanDerWaalsContact O-CG1 3.31Å; I132-I136 WeakPolarHBondContact O-CG1 3.23Å; I132-I136 PolarHBondContact O-N 3.22Å
133F86.6Confident83.7Confident92 Ų9257.3 Ų57.340%0.40430%0.295SS..Hα-helixtrans-57.6-47.4174.4171.2-103000111.8C129 F130 Q131 C135 I136 L137C129-F133 PolarHBondContact O-N 2.91Å; C129-F133 VanDerWaalsContact O-N 3.15Å; F130-F133 WeakPolarHBondContact O-CB 3.15Å; F130-F133 PolarHBondContact O-N 3.35Å; Q131-F133 VanDerWaalsContact C-N 3.34Å; F133-C135 PolarHBondContact O-N 2.86Å; F133-I136 PolarHBondContact O-N 3.19Å; F133-L137 HydrophobicContact CD1-CD1 4.04Å; F133-L137 HydrophobicContact CE1-CD1 3.42Å; F133-L137 VanDerWaalsContact CE1-CD1 3.42Å; F133-L137 HydrophobicContact CE1-CG 4.41Å; F133-L137 HydrophobicContact CE2-CD1 4.14Å; F133-L137 HydrophobicContact CE2-CG 4.39Å; F133-L137 HydrophobicContact CZ-CD1 3.49Å; F133-L137 VanDerWaalsContact CZ-CD1 3.49Å; F133-L137 HydrophobicContact CZ-CG 4.2Å; F133-L137 PolarHBondContact O-N 3.28Å; F133-L137 VanDerWaalsContact O-N 3.13Å
134S87.7Confident84Confident2 Ų263 Ų631%0.01431%0.312CS..Hα-helixtrans-61.4-43.7177-57.90000112.5F130 Q131 I132 I136 L137 W138 T359F130-S134 WeakPolarHBondContact CE1-OG 3.45Å; F130-S134 PolarHBondContact O-N 2.82Å; F130-S134 PolarHBondContact O-OG 3.36Å; F130-S134 VanDerWaalsContact O-OG 3.05Å; Q131-S134 PolarHBondContact O-N 3.18Å; I132-S134 PolarHBondContact O-N 2.92Å; S134-I136 VanDerWaalsContact C-N 3.33Å; S134-I136 PolarHBondContact O-N 3.48Å; S134-L137 WeakPolarHBondContact O-CB 3.32Å; S134-L137 PolarHBondContact O-N 3.34Å; S134-L137 VanDerWaalsContact O-N 3.15Å; S134-W138 VanDerWaalsContact O-CD2 3.23Å; S134-W138 PolarHBondContact O-N 2.82Å; S134-T359 WeakPolarHBondContact OG-CG2 3.42Å
135C89Confident84.2Confident9 Ų960.8 Ų60.86%0.06130%0.299CS..Hα-helixtrans-62-38.5177.1-72.50000112.4Q131 I132 F133 L137 W138 Y139 V151Q131-C135 WeakPolarHBondContact O-CB 3.46Å; Q131-C135 PolarHBondContact O-N 3.33Å; Q131-C135 PolarHBondContact O-SG 3.27Å; I132-C135 PolarHBondContact O-N 3.39Å; F133-C135 PolarHBondContact O-N 2.86Å; C135-L137 VanDerWaalsContact C-N 3.32Å; C135-W138 HydrophobicContact CB-CE3 4.41Å; C135-W138 PolarHBondContact O-N 3.08Å; C135-Y139 WeakPolarHBondContact O-CD2 3.24Å; C135-Y139 PolarHBondContact O-N 3.47Å; C135-V151 HydrophobicContact CB-CG2 4.1Å
136I89.4Confident84.7Confident109 Ų10958.1 Ų58.156%0.55928%0.284SS*.Hα-helixtrans-61.6-43.5174.8-68164.5000110.4I132 F133 S134 Y139 S140I132-I136 HydrophobicContact CG2-CD1 4.04Å; I132-I136 VanDerWaalsContact O-CG1 3.31Å; I132-I136 WeakPolarHBondContact O-CG1 3.23Å; I132-I136 PolarHBondContact O-N 3.22Å; F133-I136 PolarHBondContact O-N 3.19Å; S134-I136 VanDerWaalsContact C-N 3.33Å; S134-I136 PolarHBondContact O-N 3.48Å; I136-Y139 PolarHBondContact O-N 2.89Å; I136-S140 PolarHBondContact O-N 3.49Å; I136-S140 VanDerWaalsContact O-N 3.11Å
137L85.9Confident85.5Confident28 Ų2853.7 Ų53.715%0.14726%0.256CS..Hα-helixtrans-64-44.1175.9-68.1174.7000112F133 S134 C135 Y139 S140 D141 L355 T359F133-L137 HydrophobicContact CD1-CD1 4.04Å; F133-L137 HydrophobicContact CE1-CD1 3.42Å; F133-L137 VanDerWaalsContact CE1-CD1 3.42Å; F133-L137 HydrophobicContact CE1-CG 4.41Å; F133-L137 HydrophobicContact CE2-CD1 4.14Å; F133-L137 HydrophobicContact CE2-CG 4.39Å; F133-L137 HydrophobicContact CZ-CD1 3.49Å; F133-L137 VanDerWaalsContact CZ-CD1 3.49Å; F133-L137 HydrophobicContact CZ-CG 4.2Å; F133-L137 PolarHBondContact O-N 3.28Å; F133-L137 VanDerWaalsContact O-N 3.13Å; S134-L137 WeakPolarHBondContact O-CB 3.32Å; S134-L137 PolarHBondContact O-N 3.34Å; S134-L137 VanDerWaalsContact O-N 3.15Å; C135-L137 VanDerWaalsContact C-N 3.32Å; L137-Y139 PolarHBondContact O-N 2.87Å; L137-S140 CarbonylContact O-C 3.43Å; L137-S140 WeakPolarHBondContact O-CA 3.26Å; L137-S140 WeakPolarHBondContact O-CB 3.12Å; L137-S140 PolarHBondContact O-N 3.3Å; L137-D141 PolarHBondContact O-N 3.04Å; L137-L355 HydrophobicContact CD1-CB 3.82Å; L137-L355 HydrophobicContact CD2-CB 4.03Å; L137-L355 HydrophobicContact CD2-CD1 3.84Å; L137-T359 HydrophobicContact CD1-CG2 3.6Å
138W87.4Confident86.3Confident17 Ų1754.7 Ų54.76%0.06426%0.264CS..Hα-helixtrans-64.5-37.9178.7-62.9-28.2000112.6S134 C135 S140 D141 E142 Y143 Y146 A147 I150 T359S134-W138 VanDerWaalsContact O-CD2 3.23Å; S134-W138 PolarHBondContact O-N 2.82Å; C135-W138 HydrophobicContact CB-CE3 4.41Å; C135-W138 PolarHBondContact O-N 3.08Å; W138-S140 PolarHBondContact O-N 3.06Å; W138-D141 PolarHBondContact O-N 2.95Å; W138-E142 PolarHBondContact O-N 3.02Å; W138-Y143 WeakPolarHBondContact O-CA 3.25Å; W138-Y143 PolarHBondContact O-N 2.99Å; W138-Y146 HydrophobicContact CD2-CD1 4.1Å; W138-Y146 AromaticContact CD2-CE1 3.77Å; W138-Y146 HydrophobicContact CD2-CE1 3.77Å; W138-Y146 AromaticContact CE2-CE1 3.92Å; W138-Y146 AromaticContact CE3-CD1 3.93Å; W138-Y146 HydrophobicContact CE3-CD1 3.93Å; W138-Y146 AromaticContact CE3-CE1 3.55Å; W138-Y146 HydrophobicContact CE3-CE1 3.55Å; W138-Y146 AromaticContact CH2-CE1 3.7Å; W138-Y146 HydrophobicContact CH2-CE1 3.7Å; W138-Y146 AromaticContact CZ2-CE1 3.9Å; W138-Y146 HydrophobicContact CZ2-CE1 3.9Å; W138-Y146 HydrophobicContact CZ3-CD1 4.31Å; W138-Y146 AromaticContact CZ3-CE1 3.52Å; W138-Y146 HydrophobicContact CZ3-CE1 3.52Å; W138-A147 HydrophobicContact CB-CB 3.92Å; W138-A147 HydrophobicContact CE3-CB 4.44Å; W138-I150 HydrophobicContact CZ3-CG1 4.43Å; W138-I150 HydrophobicContact CZ3-CG2 4.29Å; W138-T359 PolarHBondContact NE1-OG1 3.49Å; W138-T359 VanDerWaalsContact NE1-OG1 3.09Å
139Y89.6Confident86.7Confident108 Ų10855.4 Ų55.442%0.42427%0.273SS..Hα-helixtrans-63.4-31.9169.6-79.8-59.9000112.4C135 I136 L137 W144 A147 T148C135-Y139 WeakPolarHBondContact O-CD2 3.24Å; C135-Y139 PolarHBondContact O-N 3.47Å; I136-Y139 PolarHBondContact O-N 2.89Å; L137-Y139 PolarHBondContact O-N 2.87Å; Y139-W144 HydrophobicContact CD1-CB 3.92Å; Y139-W144 HydrophobicContact CE1-CB 4.02Å; Y139-A147 HydrophobicContact CD1-CB 4.22Å; Y139-A147 HydrophobicContact CD2-CB 4.08Å; Y139-A147 HydrophobicContact CE1-CB 4.02Å; Y139-A147 HydrophobicContact CE2-CB 3.88Å; Y139-A147 HydrophobicContact CG-CB 4.24Å; Y139-T148 VanDerWaalsContact OH-CA 3.32Å; Y139-T148 WeakPolarHBondContact OH-CA 3.42Å; Y139-T148 PolarHBondContact OH-N 3.33Å; Y139-T148 PolarHBondContact OH-OG1 2.63Å
140S84.9Confident86.9Confident61 Ų6153.5 Ų53.543%0.42726%0.259SS..Hα-helixtrans-79.1-19.8177-173.40000114.3I136 L137 W138 R352I136-S140 PolarHBondContact O-N 3.49Å; I136-S140 VanDerWaalsContact O-N 3.11Å; L137-S140 CarbonylContact O-C 3.43Å; L137-S140 WeakPolarHBondContact O-CA 3.26Å; L137-S140 WeakPolarHBondContact O-CB 3.12Å; L137-S140 PolarHBondContact O-N 3.3Å; W138-S140 PolarHBondContact O-N 3.06Å; S140-R352 PolarHBondContact O-NH1 3.27Å
141D79.3Confident87.3Confident15 Ų1553.1 Ų53.18%0.0826%0.261CS..THydrogen-bonded Turntrans-107.222.6178.6-156.244000112.2L137 W138 Y143 R353L137-D141 PolarHBondContact O-N 3.04Å; W138-D141 PolarHBondContact O-N 2.95Å; D141-Y143 VanDerWaalsContact C-N 3.28Å; D141-Y143 HydrophobicContact CB-CD2 4.07Å; D141-Y143 HydrophobicContact CB-CE2 4.32Å; D141-Y143 WeakPolarHBondContact O-CD2 3.43Å; D141-Y143 PolarHBondContact O-N 3.38Å; D141-Y143 WeakPolarHBondContact OD2-CE2 3.02Å; D141-R353 IonicContact OD1-CZ 3.99Å; D141-R353 IonicContact OD1-NE 3.75Å; D141-R353 IonicContact OD1-NH1 3.19Å; D141-R353 PolarHBondContact OD1-NH1 2.82Å; D141-R353 IonicContact OD2-CZ 3.13Å; D141-R353 IonicContact OD2-NH1 2.82Å; D141-R353 PolarHBondContact OD2-NH1 3.27Å
142E81.3Confident87.6Confident154 Ų15456 Ų5672%0.7228%0.279SS*.THydrogen-bonded Turntrans67.912.4174.7-53.1-174.2171.300116.5W138 W144W138-E142 PolarHBondContact O-N 3.02Å; E142-W144 PolarHBondContact O-N 3.4Å
143Y84.4Confident87.5Confident11 Ų1154.9 Ų54.94%0.04327%0.274CS..  trans-83.847.1172.7-67.9-69.4000113.2W138 D141 M145 A147 N1045 I1046 D1048 F1051W138-Y143 WeakPolarHBondContact O-CA 3.25Å; W138-Y143 PolarHBondContact O-N 2.99Å; D141-Y143 VanDerWaalsContact C-N 3.28Å; D141-Y143 HydrophobicContact CB-CD2 4.07Å; D141-Y143 HydrophobicContact CB-CE2 4.32Å; D141-Y143 WeakPolarHBondContact O-CD2 3.43Å; D141-Y143 PolarHBondContact O-N 3.38Å; D141-Y143 WeakPolarHBondContact OD2-CE2 3.02Å; Y143-M145 PolarHBondContact O-N 2.68Å; Y143-A147 VanDerWaalsContact O-CB 3.23Å; Y143-A147 WeakPolarHBondContact O-CB 3.42Å; Y143-A147 PolarHBondContact O-N 2.92Å; Y143-N1045 WeakPolarHBondContact OH-CB 3.26Å; Y143-N1045 PolarHBondContact OH-ND2 2.71Å; Y143-I1046 WeakPolarHBondContact CE1-O 3.28Å; Y143-I1046 PolarHBondContact OH-O 3.06Å; Y143-D1048 HydrophobicContact CD1-CB 4Å; Y143-F1051 AromaticContact CD1-CD2 3.99Å; Y143-F1051 HydrophobicContact CD1-CD2 3.99Å; Y143-F1051 HydrophobicContact CD1-CE2 4.39Å; Y143-F1051 AromaticContact CE1-CD2 3.43Å; Y143-F1051 HydrophobicContact CE1-CD2 3.43Å; Y143-F1051 VanDerWaalsContact CE1-CD2 3.43Å; Y143-F1051 AromaticContact CE1-CE2 3.57Å; Y143-F1051 HydrophobicContact CE1-CE2 3.57Å; Y143-F1051 HydrophobicContact CE2-CE2 4.4Å; Y143-F1051 AromaticContact CZ-CD2 3.97Å; Y143-F1051 AromaticContact CZ-CE2 3.58Å
144W87.7Confident87.4Confident155 Ų15551.5 Ų51.559%0.58726%0.262SS*.Hα-helixtrans-70.6-31.3-170.566.8-86.4000113.5Y139 E142 T148Y139-W144 HydrophobicContact CD1-CB 3.92Å; Y139-W144 HydrophobicContact CE1-CB 4.02Å; E142-W144 PolarHBondContact O-N 3.4Å; W144-T148 VanDerWaalsContact O-CB 3.24Å; W144-T148 WeakPolarHBondContact O-CB 3.45Å; W144-T148 PolarHBondContact O-N 3.24Å; W144-T148 PolarHBondContact O-OG1 2.95Å
145M89.5Confident87.5Confident71 Ų7156 Ų5635%0.3528%0.284SS..Hα-helixtrans-71-50.5178.5-59.5179.5-77.500110Y143 T148 C149 D1048Y143-M145 PolarHBondContact O-N 2.68Å; M145-T148 PolarHBondContact O-N 2.94Å; M145-C149 PolarHBondContact O-N 3.23Å; M145-C149 PolarHBondContact O-SG 3.39Å; M145-D1048 WeakPolarHBondContact CB-OD2 3.36Å; M145-D1048 HydrophobicContact CE-CB 3.76Å; M145-D1048 WeakPolarHBondContact CE-OD2 3.38Å; M145-D1048 WeakPolarHBondContact CG-OD2 3.46Å; M145-D1048 PolarHBondContact N-OD2 3.18Å
146Y87.6Confident87.3Confident8 Ų861.8 Ų61.83%0.03131%0.312CS..Hα-helixtrans-56.1-52.4175173.4-105.7000111.9W138 T148 C149 I150 D1048 F1051 L1052 D1055W138-Y146 HydrophobicContact CD2-CD1 4.1Å; W138-Y146 AromaticContact CD2-CE1 3.77Å; W138-Y146 HydrophobicContact CD2-CE1 3.77Å; W138-Y146 AromaticContact CE2-CE1 3.92Å; W138-Y146 AromaticContact CE3-CD1 3.93Å; W138-Y146 HydrophobicContact CE3-CD1 3.93Å; W138-Y146 AromaticContact CE3-CE1 3.55Å; W138-Y146 HydrophobicContact CE3-CE1 3.55Å; W138-Y146 AromaticContact CH2-CE1 3.7Å; W138-Y146 HydrophobicContact CH2-CE1 3.7Å; W138-Y146 AromaticContact CZ2-CE1 3.9Å; W138-Y146 HydrophobicContact CZ2-CE1 3.9Å; W138-Y146 HydrophobicContact CZ3-CD1 4.31Å; W138-Y146 AromaticContact CZ3-CE1 3.52Å; W138-Y146 HydrophobicContact CZ3-CE1 3.52Å; Y146-T148 VanDerWaalsContact C-N 3.3Å; Y146-T148 PolarHBondContact O-N 3.36Å; Y146-C149 PolarHBondContact O-N 2.87Å; Y146-C149 VanDerWaalsContact O-N 3.15Å; Y146-I150 HydrophobicContact CD2-CG1 4.2Å; Y146-I150 HydrophobicContact CE1-CG1 4.14Å; Y146-I150 HydrophobicContact CE2-CD1 3.96Å; Y146-I150 HydrophobicContact CE2-CG1 3.8Å; Y146-I150 WeakPolarHBondContact O-CG1 3.49Å; Y146-I150 PolarHBondContact O-N 3.43Å; Y146-D1048 WeakPolarHBondContact CB-OD1 3.36Å; Y146-D1048 PolarHBondContact N-OD1 3.05Å; Y146-F1051 HydrophobicContact CD2-CB 4.32Å; Y146-F1051 HydrophobicContact CG-CB 4.45Å; Y146-L1052 HydrophobicContact CD2-CB 4.33Å; Y146-L1052 HydrophobicContact CD2-CD1 4.25Å; Y146-D1055 HydrophobicContact CE2-CB 3.91Å; Y146-D1055 PolarHBondContact OH-OD2 3.39Å
147A90.9Very high86.9Confident0 Ų058.8 Ų58.80%030%0.301CS..Hα-helixtrans-56.9-44.2179.100000111.8W138 Y139 Y143 C149 I150 V151W138-A147 HydrophobicContact CB-CB 3.92Å; W138-A147 HydrophobicContact CE3-CB 4.44Å; Y139-A147 HydrophobicContact CD1-CB 4.22Å; Y139-A147 HydrophobicContact CD2-CB 4.08Å; Y139-A147 HydrophobicContact CE1-CB 4.02Å; Y139-A147 HydrophobicContact CE2-CB 3.88Å; Y139-A147 HydrophobicContact CG-CB 4.24Å; Y143-A147 VanDerWaalsContact O-CB 3.23Å; Y143-A147 WeakPolarHBondContact O-CB 3.42Å; Y143-A147 PolarHBondContact O-N 2.92Å; A147-C149 PolarHBondContact O-N 3.41Å; A147-I150 PolarHBondContact O-N 3.49Å; A147-V151 WeakPolarHBondContact O-CB 3.29Å; A147-V151 VanDerWaalsContact O-CG2 3.27Å; A147-V151 WeakPolarHBondContact O-CG2 3.48Å; A147-V151 PolarHBondContact O-N 3.1Å
148T92.2Very high86.8Confident55 Ų5558.5 Ų58.534%0.33730%0.3SS..Hα-helixtrans-63-43.6178.2-57.20000111.9Y139 W144 M145 Y146 I150 V151 V152Y139-T148 VanDerWaalsContact OH-CA 3.32Å; Y139-T148 WeakPolarHBondContact OH-CA 3.42Å; Y139-T148 PolarHBondContact OH-N 3.33Å; Y139-T148 PolarHBondContact OH-OG1 2.63Å; W144-T148 VanDerWaalsContact O-CB 3.24Å; W144-T148 WeakPolarHBondContact O-CB 3.45Å; W144-T148 PolarHBondContact O-N 3.24Å; W144-T148 PolarHBondContact O-OG1 2.95Å; M145-T148 PolarHBondContact O-N 2.94Å; Y146-T148 VanDerWaalsContact C-N 3.3Å; Y146-T148 PolarHBondContact O-N 3.36Å; T148-I150 PolarHBondContact O-N 2.97Å; T148-V151 PolarHBondContact O-N 3.1Å; T148-V152 HydrophobicContact CG2-CG2 4.45Å; T148-V152 VanDerWaalsContact O-CG2 3.29Å; T148-V152 WeakPolarHBondContact O-CG2 3.32Å; T148-V152 PolarHBondContact O-N 2.93Å
149C90.6Very high86.7Confident44 Ų4460.8 Ų60.830%0.29732%0.318SS..Hα-helixtrans-61.2-44.4176.3-74.20000112.1M145 Y146 A147 V152 I153 L1052M145-C149 PolarHBondContact O-N 3.23Å; M145-C149 PolarHBondContact O-SG 3.39Å; Y146-C149 PolarHBondContact O-N 2.87Å; Y146-C149 VanDerWaalsContact O-N 3.15Å; A147-C149 PolarHBondContact O-N 3.41Å; C149-V152 PolarHBondContact O-N 3.32Å; C149-I153 VanDerWaalsContact O-CG1 3.3Å; C149-I153 WeakPolarHBondContact O-CG1 3.5Å; C149-I153 PolarHBondContact O-N 3.37Å; C149-L1052 HydrophobicContact CB-CD1 3.75Å
150I87.4Confident86.4Confident16 Ų1663.8 Ų63.88%0.08233%0.329CS..Hα-helixtrans-64-43.3177.7-64-61.2000111.1W138 Y146 A147 T148 I153 S154 P364W138-I150 HydrophobicContact CZ3-CG1 4.43Å; W138-I150 HydrophobicContact CZ3-CG2 4.29Å; Y146-I150 HydrophobicContact CD2-CG1 4.2Å; Y146-I150 HydrophobicContact CE1-CG1 4.14Å; Y146-I150 HydrophobicContact CE2-CD1 3.96Å; Y146-I150 HydrophobicContact CE2-CG1 3.8Å; Y146-I150 WeakPolarHBondContact O-CG1 3.49Å; Y146-I150 PolarHBondContact O-N 3.43Å; A147-I150 PolarHBondContact O-N 3.49Å; T148-I150 PolarHBondContact O-N 2.97Å; I150-I153 PolarHBondContact O-N 3.13Å; I150-S154 VanDerWaalsContact O-CB 3.26Å; I150-S154 WeakPolarHBondContact O-CB 3.26Å; I150-S154 PolarHBondContact O-N 3.3Å; I150-S154 PolarHBondContact O-OG 3.33Å; I150-P364 HydrophobicContact CD1-CB 4.49Å; I150-P364 HydrophobicContact CD1-CG 4.22Å; I150-P364 HydrophobicContact CG2-CB 4.39Å
151V89.8Confident86.1Confident48 Ų4864.3 Ų64.329%0.29133%0.325SS..Hα-helixtrans-59.6-47.4175.8168.60000111C135 A147 T148 I153 S154 I155C135-V151 HydrophobicContact CB-CG2 4.1Å; A147-V151 WeakPolarHBondContact O-CB 3.29Å; A147-V151 VanDerWaalsContact O-CG2 3.27Å; A147-V151 WeakPolarHBondContact O-CG2 3.48Å; A147-V151 PolarHBondContact O-N 3.1Å; T148-V151 PolarHBondContact O-N 3.1Å; V151-I153 PolarHBondContact O-N 3.47Å; V151-S154 PolarHBondContact O-N 3.4Å; V151-I155 HydrophobicContact CG1-CD1 3.67Å; V151-I155 HydrophobicContact CG1-CG1 4.39Å; V151-I155 VanDerWaalsContact O-CG1 3.29Å; V151-I155 WeakPolarHBondContact O-CG1 3.49Å; V151-I155 PolarHBondContact O-N 2.98Å
152V91.2Very high86.4Confident74 Ų7464.2 Ų64.245%0.44833%0.325SS..Hα-helixtrans-61-47.9179.2170.10000111.4T148 C149 S154 I155 M156T148-V152 HydrophobicContact CG2-CG2 4.45Å; T148-V152 VanDerWaalsContact O-CG2 3.29Å; T148-V152 WeakPolarHBondContact O-CG2 3.32Å; T148-V152 PolarHBondContact O-N 2.93Å; C149-V152 PolarHBondContact O-N 3.32Å; V152-S154 VanDerWaalsContact C-N 3.31Å; V152-S154 PolarHBondContact O-N 3.33Å; V152-I155 PolarHBondContact O-N 3.48Å; V152-M156 HydrophobicContact CG1-SD 4.24Å; V152-M156 WeakPolarHBondContact O-CG 3.47Å; V152-M156 PolarHBondContact O-N 3.12Å
153I86Confident86.5Confident75 Ų7563.8 Ų63.839%0.38532%0.318SS..Hα-helixtrans-62.3-40.9178.6-68.3167.9000110.8C149 I150 V151 M156 S157 L1056C149-I153 VanDerWaalsContact O-CG1 3.3Å; C149-I153 WeakPolarHBondContact O-CG1 3.5Å; C149-I153 PolarHBondContact O-N 3.37Å; I150-I153 PolarHBondContact O-N 3.13Å; V151-I153 PolarHBondContact O-N 3.47Å; I153-M156 PolarHBondContact O-N 3.43Å; I153-S157 WeakPolarHBondContact O-CB 3.43Å; I153-S157 PolarHBondContact O-N 2.86Å; I153-L1056 HydrophobicContact CD1-CD1 3.55Å; I153-L1056 HydrophobicContact CD1-CD2 4.28Å
154S84.4Confident86.2Confident22 Ų2267.8 Ų67.815%0.15434%0.336CS..Hα-helixtrans-67-42.3-179.8-56.80000111.7I150 V151 V152 M156 S157 L158I150-S154 VanDerWaalsContact O-CB 3.26Å; I150-S154 WeakPolarHBondContact O-CB 3.26Å; I150-S154 PolarHBondContact O-N 3.3Å; I150-S154 PolarHBondContact O-OG 3.33Å; V151-S154 PolarHBondContact O-N 3.4Å; V152-S154 VanDerWaalsContact C-N 3.31Å; V152-S154 PolarHBondContact O-N 3.33Å; S154-M156 PolarHBondContact O-N 3.5Å; S154-S157 PolarHBondContact O-N 2.88Å; S154-L158 VanDerWaalsContact O-CB 3.25Å; S154-L158 WeakPolarHBondContact O-CB 3.41Å; S154-L158 PolarHBondContact O-N 2.9Å
155I88.4Confident85.6Confident95 Ų9563.9 Ų63.949%0.48733%0.327SS..Hα-helixtrans-62-43174.8-69.5167.9000110.8V151 V152 S159V151-I155 HydrophobicContact CG1-CD1 3.67Å; V151-I155 HydrophobicContact CG1-CG1 4.39Å; V151-I155 VanDerWaalsContact O-CG1 3.29Å; V151-I155 WeakPolarHBondContact O-CG1 3.49Å; V151-I155 PolarHBondContact O-N 2.98Å; V152-I155 PolarHBondContact O-N 3.48Å; I155-S159 VanDerWaalsContact O-CB 3.29Å; I155-S159 WeakPolarHBondContact O-CB 3.29Å; I155-S159 PolarHBondContact O-N 2.85Å; I155-S159 PolarHBondContact O-OG 3.27Å
156M86.3Confident85.3Confident131 Ų13162.3 Ų62.365%0.64532%0.317SS*.Hα-helixtrans-63.1-45.4176.7-71.8-179.867.900111.8V152 I153 S154 S159 W160V152-M156 HydrophobicContact CG1-SD 4.24Å; V152-M156 WeakPolarHBondContact O-CG 3.47Å; V152-M156 PolarHBondContact O-N 3.12Å; I153-M156 PolarHBondContact O-N 3.43Å; S154-M156 PolarHBondContact O-N 3.5Å; M156-S159 PolarHBondContact O-N 2.93Å; M156-W160 PolarHBondContact O-N 2.86Å
157S80.6Confident84.9Confident47 Ų4769.1 Ų69.133%0.32934%0.343SS..Hα-helixtrans-61.8-49177.9-177.10000111.8I153 S154 S159 W160 Q161I153-S157 WeakPolarHBondContact O-CB 3.43Å; I153-S157 PolarHBondContact O-N 2.86Å; S154-S157 PolarHBondContact O-N 2.88Å; S157-S159 PolarHBondContact O-N 3.19Å; S157-W160 PolarHBondContact O-N 3.49Å; S157-Q161 WeakPolarHBondContact O-CB 3.42Å; S157-Q161 PolarHBondContact O-N 2.9Å
158L84Confident83.8Confident22 Ų2273.4 Ų73.412%0.11537%0.366CS..Hα-helixtrans-60.8-44.8178.7178.966.3000111.7E122 C123 Y128 S154 W160 Q161 V162E122-L158 HydrophobicContact CB-CD1 3.72Å; E122-L158 HydrophobicContact CG-CD1 3.28Å; C123-L158 WeakPolarHBondContact SG-CD2 3.16Å; Y128-L158 HydrophobicContact CE2-CD1 4.2Å; S154-L158 VanDerWaalsContact O-CB 3.25Å; S154-L158 WeakPolarHBondContact O-CB 3.41Å; S154-L158 PolarHBondContact O-N 2.9Å; L158-W160 VanDerWaalsContact C-N 3.33Å; L158-W160 PolarHBondContact O-N 3.26Å; L158-Q161 PolarHBondContact O-N 3.13Å; L158-V162 HydrophobicContact CD1-CG2 4.37Å; L158-V162 WeakPolarHBondContact O-CG2 3.2Å; L158-V162 PolarHBondContact O-N 2.94Å
159S85.5Confident82.8Confident65 Ų6572.8 Ų72.846%0.45536%0.359SS..Hα-helixtrans-62.2-41178.2-58.80000111.7I155 M156 S157 Y163I155-S159 VanDerWaalsContact O-CB 3.29Å; I155-S159 WeakPolarHBondContact O-CB 3.29Å; I155-S159 PolarHBondContact O-N 2.85Å; I155-S159 PolarHBondContact O-OG 3.27Å; M156-S159 PolarHBondContact O-N 2.93Å; S157-S159 PolarHBondContact O-N 3.19Å; S159-Y163 WeakPolarHBondContact O-CB 3.33Å; S159-Y163 PolarHBondContact O-N 3.48Å
160W82.7Confident82Confident170 Ų17076.9 Ų76.964%0.64437%0.368SS*.Hα-helixtrans-63.3-46.6175.4-177-84.1000111.7M156 S157 L158 V162 Y163 E164M156-W160 PolarHBondContact O-N 2.86Å; S157-W160 PolarHBondContact O-N 3.49Å; L158-W160 VanDerWaalsContact C-N 3.33Å; L158-W160 PolarHBondContact O-N 3.26Å; W160-V162 PolarHBondContact O-N 3.09Å; W160-Y163 PolarHBondContact O-N 2.63Å; W160-E164 PolarHBondContact NE1-OE2 2.77Å; W160-E164 WeakPolarHBondContact O-CB 3.48Å; W160-E164 PolarHBondContact O-N 2.83Å
161Q79.2Confident81Confident73 Ų7379.6 Ų79.634%0.34139%0.386SS..Hα-helixtrans-62.2-44.5-179.3-171.7175.51.500112.1E122 Y128 S157 L158 E164 L165E122-Q161 VanDerWaalsContact CD-CD 3.43Å; E122-Q161 VanDerWaalsContact OE1-CD 3.3Å; E122-Q161 PolarHBondContact OE1-NE2 2.87Å; E122-Q161 PolarHBondContact OE1-OE1 2.73Å; E122-Q161 PolarHBondContact OE2-NE2 2.8Å; Y128-Q161 PolarHBondContact OH-OE1 3.38Å; S157-Q161 WeakPolarHBondContact O-CB 3.42Å; S157-Q161 PolarHBondContact O-N 2.9Å; L158-Q161 PolarHBondContact O-N 3.13Å; Q161-E164 PolarHBondContact O-N 2.87Å; Q161-L165 VanDerWaalsContact O-CB 3.31Å; Q161-L165 WeakPolarHBondContact O-CB 3.39Å; Q161-L165 PolarHBondContact O-N 3.37Å
162V84.1Confident79.7Confident13 Ų1379.9 Ų79.98%0.07939%0.385CS..Hα-helixtrans-64.1-41.2176172.70000111.1I115 L118 L158 W160 R166I115-V162 HydrophobicContact CG2-CG1 4.25Å; L118-V162 HydrophobicContact CB-CG1 4.38Å; L158-V162 HydrophobicContact CD1-CG2 4.37Å; L158-V162 WeakPolarHBondContact O-CG2 3.2Å; L158-V162 PolarHBondContact O-N 2.94Å; W160-V162 PolarHBondContact O-N 3.09Å; V162-R166 VanDerWaalsContact O-CB 3.26Å; V162-R166 WeakPolarHBondContact O-CB 3.38Å; V162-R166 PolarHBondContact O-N 3.3Å
163Y84.1Confident78.6Confident145 Ų14580.3 Ų80.357%0.56938%0.381SS*.Hα-helixtrans-62-47.2176.4173.9-97.5000112.1S159 W160 R166 R167S159-Y163 WeakPolarHBondContact O-CB 3.33Å; S159-Y163 PolarHBondContact O-N 3.48Å; W160-Y163 PolarHBondContact O-N 2.63Å; Y163-R166 PolarHBondContact O-N 3.21Å; Y163-R167 WeakPolarHBondContact O-CB 3.43Å; Y163-R167 PolarHBondContact O-N 3.43Å
164E78.5Confident77.7Confident94 Ų9483.5 Ų83.544%0.43939%0.394SS..Hα-helixtrans-64.9-45.3-179.8-173.5165.1178.400111.5W160 Q161 R166 R167 N168W160-E164 PolarHBondContact NE1-OE2 2.77Å; W160-E164 WeakPolarHBondContact O-CB 3.48Å; W160-E164 PolarHBondContact O-N 2.83Å; Q161-E164 PolarHBondContact O-N 2.87Å; E164-R166 VanDerWaalsContact C-N 3.32Å; E164-R166 PolarHBondContact O-N 3.17Å; E164-R167 PolarHBondContact O-N 3.28Å; E164-N168 PolarHBondContact O-N 2.98Å; E164-N168 PolarHBondContact O-ND2 3.27Å; E164-N168 PolarHBondContact O-OD1 3.47Å
165L75.7Confident76.6Confident73 Ų7386.7 Ų86.738%0.38241%0.413SS..Hα-helixtrans-59.5-44175.8-17657.3000111.5L118 Q161 R167 N168 E169L118-L165 HydrophobicContact CD2-CD2 3.6Å; L118-L165 HydrophobicContact CD2-CG 4.23Å; Q161-L165 VanDerWaalsContact O-CB 3.31Å; Q161-L165 WeakPolarHBondContact O-CB 3.39Å; Q161-L165 PolarHBondContact O-N 3.37Å; L165-R167 PolarHBondContact O-N 2.99Å; L165-N168 PolarHBondContact O-N 2.88Å; L165-E169 PolarHBondContact O-N 3.29Å
166R82.8Confident75.3Confident39 Ų3983.7 Ų83.715%0.14740%0.397CS..Hα-helixtrans-65.8-38.3179-174.153.5169-179.7-7.5113L112 T113 L118 V162 Y163 E164 E169 R170L112-R166 VanDerWaalsContact CB-NH1 3.32Å; T113-R166 PolarHBondContact O-NH1 3.31Å; T113-R166 PolarHBondContact O-NH2 2.92Å; L118-R166 HydrophobicContact CD1-CB 4.41Å; V162-R166 VanDerWaalsContact O-CB 3.26Å; V162-R166 WeakPolarHBondContact O-CB 3.38Å; V162-R166 PolarHBondContact O-N 3.3Å; Y163-R166 PolarHBondContact O-N 3.21Å; E164-R166 VanDerWaalsContact C-N 3.32Å; E164-R166 PolarHBondContact O-N 3.17Å; R166-E169 IonicContact CZ-OE2 3.89Å; R166-E169 IonicContact NH1-OE2 3.69Å; R166-E169 PolarHBondContact NH1-OE2 2.96Å; R166-R170 PolarHBondContact O-N 2.97Å
167R78.2Confident74.1Confident150 Ų15080 Ų8057%0.56638%0.384SS*.Hα-helixtrans-63.5-46.4175.1-178.7-179.5175.5-174.9-1.7110.5Y163 E164 L165 E169 R170 T171Y163-R167 WeakPolarHBondContact O-CB 3.43Å; Y163-R167 PolarHBondContact O-N 3.43Å; E164-R167 PolarHBondContact O-N 3.28Å; L165-R167 PolarHBondContact O-N 2.99Å; R167-E169 VanDerWaalsContact C-N 3.35Å; R167-E169 PolarHBondContact O-N 3.05Å; R167-R170 PolarHBondContact O-N 2.9Å; R167-T171 PolarHBondContact O-N 3.32Å; R167-T171 PolarHBondContact O-OG1 3.37Å
168N68.8Low73.6Confident91 Ų9182 Ų8249%0.48739%0.39SS..Hα-helixtrans-61.8-41.3179.9-66.4-15.7000111.8E164 L165 R170 L172E164-N168 PolarHBondContact O-N 2.98Å; E164-N168 PolarHBondContact O-ND2 3.27Å; E164-N168 PolarHBondContact O-OD1 3.47Å; L165-N168 PolarHBondContact O-N 2.88Å; N168-R170 PolarHBondContact O-N 3.19Å; N168-L172 WeakPolarHBondContact O-CB 3.25Å; N168-L172 PolarHBondContact O-N 3.08Å
169E71.7Confident73.2Confident42 Ų4283.8 Ų83.820%0.19640%0.404CS..Hα-helixtrans-61.7-40.3174-74-173.1150.200113.1L112 T113 L165 R166 R167 L172 K173L112-E169 HydrophobicContact CD2-CB 3.72Å; T113-E169 VanDerWaalsContact OG1-CD 3.27Å; T113-E169 PolarHBondContact OG1-OE1 3.46Å; T113-E169 PolarHBondContact OG1-OE2 3.15Å; T113-E169 VanDerWaalsContact OG1-OE2 3.09Å; L165-E169 PolarHBondContact O-N 3.29Å; R166-E169 IonicContact CZ-OE2 3.89Å; R166-E169 IonicContact NH1-OE2 3.69Å; R166-E169 PolarHBondContact NH1-OE2 2.96Å; R167-E169 VanDerWaalsContact C-N 3.35Å; R167-E169 PolarHBondContact O-N 3.05Å; E169-L172 PolarHBondContact O-N 3.25Å; E169-K173 PolarHBondContact O-N 3.47Å
170R73.1Confident73Confident130 Ų13082.7 Ų82.749%0.49140%0.397SS..Hα-helixtrans-66.6-48.1179.2-77.6-177.7179.4173.3-0.5111.9R166 R167 N168 L172 K173 E174R166-R170 PolarHBondContact O-N 2.97Å; R167-R170 PolarHBondContact O-N 2.9Å; N168-R170 PolarHBondContact O-N 3.19Å; R170-L172 VanDerWaalsContact C-N 3.27Å; R170-L172 PolarHBondContact O-N 3.11Å; R170-K173 PolarHBondContact O-N 2.87Å; R170-K173 VanDerWaalsContact O-N 3.15Å; R170-E174 WeakPolarHBondContact O-CG 3.27Å; R170-E174 PolarHBondContact O-N 2.99Å
171T65.4Low73.2Confident73 Ų7378 Ų7845%0.44839%0.39SS..Hα-helixtrans-58.6-43.4177.2-56.80000110.5R167 K173 E174 T175R167-T171 PolarHBondContact O-N 3.32Å; R167-T171 PolarHBondContact O-OG1 3.37Å; T171-K173 PolarHBondContact O-N 3.3Å; T171-E174 PolarHBondContact O-N 2.94Å; T171-T175 PolarHBondContact O-N 3.41Å; T171-T175 PolarHBondContact O-OG1 2.89Å
172L63.7Low73.7Confident54 Ų5475.7 Ų75.728%0.28338%0.38SS..Hα-helixtrans-62.8-39.2177.2-169.9135.9000112.6I110 N168 E169 R170 M176 I304 L305I110-L172 HydrophobicContact CD1-CD2 3.38Å; I110-L172 HydrophobicContact CG2-CD2 4.21Å; N168-L172 WeakPolarHBondContact O-CB 3.25Å; N168-L172 PolarHBondContact O-N 3.08Å; E169-L172 PolarHBondContact O-N 3.25Å; R170-L172 VanDerWaalsContact C-N 3.27Å; R170-L172 PolarHBondContact O-N 3.11Å; L172-M176 HydrophobicContact CD1-CE 4.18Å; L172-M176 HydrophobicContact CD2-CE 4.36Å; L172-M176 HydrophobicContact CD2-SD 3.91Å; L172-M176 HydrophobicContact CG-CE 3.92Å; L172-M176 HydrophobicContact CG-SD 4.04Å; L172-M176 WeakPolarHBondContact O-CB 2.94Å; L172-M176 VanDerWaalsContact O-CG 3.24Å; L172-M176 WeakPolarHBondContact O-CG 3.48Å; L172-M176 PolarHBondContact O-N 3.09Å; L172-I304 HydrophobicContact CD1-CG2 4.24Å; L172-L305 HydrophobicContact CD2-CD2 4.36Å
173K68.1Low74.2Confident82 Ų8278 Ų7836%0.35739%0.391SS..Hα-helixtrans-66.2-46.5174.4-177175.4177.6175.30112.4L112 E169 R170 T171 T175 M176 C177L112-K173 HydrophobicContact CD1-CD 3.9Å; L112-K173 HydrophobicContact CD2-CD 4.32Å; L112-K173 HydrophobicContact CG-CD 3.86Å; E169-K173 PolarHBondContact O-N 3.47Å; R170-K173 PolarHBondContact O-N 2.87Å; R170-K173 VanDerWaalsContact O-N 3.15Å; T171-K173 PolarHBondContact O-N 3.3Å; K173-T175 VanDerWaalsContact C-N 3.33Å; K173-T175 PolarHBondContact O-N 2.91Å; K173-M176 PolarHBondContact O-N 3.37Å; K173-C177 WeakPolarHBondContact O-CB 3.18Å; K173-C177 PolarHBondContact O-N 3.32Å; K173-C177 PolarHBondContact O-SG 3.32Å; K173-C177 VanDerWaalsContact O-SG 3.41Å
174E66.8Low74.7Confident142 Ų14271.1 Ų71.166%0.66436%0.364SS*.Hα-helixtrans-63.5-37.9-178.7-73.7168.9-169.400112R170 T171R170-E174 WeakPolarHBondContact O-CG 3.27Å; R170-E174 PolarHBondContact O-N 2.99Å; T171-E174 PolarHBondContact O-N 2.94Å
175T60.1Low75.4Confident89 Ų8969.4 Ų69.455%0.54635%0.354SS..Hα-helixtrans-74.6-27.6177.8-51.80000113T171 K173T171-T175 PolarHBondContact O-N 3.41Å; T171-T175 PolarHBondContact O-OG1 2.89Å; K173-T175 VanDerWaalsContact C-N 3.33Å; K173-T175 PolarHBondContact O-N 2.91Å
176M61.4Low76.2Confident32 Ų3266.8 Ų66.816%0.15834%0.339CS..Hα-helixtrans-97.7-28.6-173.8-67.8-173.1-178.400114.7I110 L172 K173 I178 V301 I304I110-M176 HydrophobicContact CD1-CB 4.09Å; I110-M176 HydrophobicContact CD1-CG 4.42Å; I110-M176 HydrophobicContact CD1-SD 3.63Å; L172-M176 HydrophobicContact CD1-CE 4.18Å; L172-M176 HydrophobicContact CD2-CE 4.36Å; L172-M176 HydrophobicContact CD2-SD 3.91Å; L172-M176 HydrophobicContact CG-CE 3.92Å; L172-M176 HydrophobicContact CG-SD 4.04Å; L172-M176 WeakPolarHBondContact O-CB 2.94Å; L172-M176 VanDerWaalsContact O-CG 3.24Å; L172-M176 WeakPolarHBondContact O-CG 3.48Å; L172-M176 PolarHBondContact O-N 3.09Å; K173-M176 PolarHBondContact O-N 3.37Å; M176-I178 PolarHBondContact O-N 3.44Å; M176-V301 HydrophobicContact CG-CG2 4.43Å; M176-V301 HydrophobicContact SD-CB 4.3Å; M176-V301 HydrophobicContact SD-CG1 3.52Å; M176-V301 VanDerWaalsContact SD-CG1 3.52Å; M176-V301 HydrophobicContact SD-CG2 3.87Å; M176-I304 HydrophobicContact CE-CD1 3.23Å; M176-I304 HydrophobicContact SD-CD1 4.39Å
177C62.8Low76.6Confident54 Ų5467.1 Ų67.137%0.36534%0.342SS..  trans-9671.3-177-57.70000111.3I108 K173I108-C177 PolarHBondContact O-SG 3.49Å; K173-C177 WeakPolarHBondContact O-CB 3.18Å; K173-C177 PolarHBondContact O-N 3.32Å; K173-C177 PolarHBondContact O-SG 3.32Å; K173-C177 VanDerWaalsContact O-SG 3.41Å
178I68.9Low76.8Confident89 Ų8962.2 Ų62.246%0.45633%0.326SS..  trans-99122.7173.3-56.9171.8000108M176 L216 Q218M176-I178 PolarHBondContact O-N 3.44Å; I178-L216 HydrophobicContact CG2-CD2 4.17Å; I178-Q218 PolarHBondContact O-OE1 3.27Å
179S75.4Confident77.4Confident60 Ų6065.9 Ų65.942%0.4235%0.345SS..  trans-115.8152.9170.163.60000110.5S199S179-S199 WeakPolarHBondContact CA-OG 3.49Å; S179-S199 WeakPolarHBondContact CB-OG 3.46Å
180S81.7Confident77.9Confident42 Ų4266.6 Ų66.629%0.29436%0.364SS..  trans-141.5162.4176.358.10000110.2S199 Q218S180-S199 PolarHBondContact N-OG 3.07Å; S180-S199 WeakPolarHBondContact O-CB 3.38Å; S180-S199 PolarHBondContact O-N 3.32Å; S180-S199 PolarHBondContact O-OG 3.31Å; S180-Q218 WeakPolarHBondContact OG-CG 3.32Å; S180-Q218 PolarHBondContact OG-NE2 3.32Å
181S86.4Confident78.4Confident72 Ų7264.5 Ų64.550%0.50337%0.366SS..EExtended strand (participates in β ladder)trans-77.1144170.661.60000111E196 V197S181-E196 WeakPolarHBondContact CB-OE1 3.29Å; S181-E196 PolarHBondContact OG-OE1 3.48Å; S181-V197 WeakPolarHBondContact CA-O 3.44Å
182V90.4Very high79.6Confident23 Ų2366.3 Ų66.314%0.13937%0.367CS..EExtended strand (participates in β ladder)trans-137.2138.6-178.1-174.70000108.7V197 L202 I208V182-V197 PolarHBondContact N-O 3.13Å; V182-V197 PolarHBondContact O-N 3.15Å; V182-L202 HydrophobicContact CG2-CD1 4.4Å; V182-I208 HydrophobicContact CG1-CB 4.02Å; V182-I208 HydrophobicContact CG1-CG2 3.77Å
183M94.2Very high81Confident61 Ų6168.2 Ų68.230%0.338%0.375SS..EExtended strand (participates in β ladder)trans-83121.5173.6-69.3-59.1-60.700109.9F194 E196 I208 E209M183-F194 HydrophobicContact CE-CB 3.86Å; M183-E196 HydrophobicContact SD-CB 3.57Å; M183-E196 VanDerWaalsContact SD-CB 3.57Å; M183-E196 HydrophobicContact SD-CG 4.04Å; M183-I208 VanDerWaalsContact O-CA 3.32Å; M183-I208 WeakPolarHBondContact O-CA 3.49Å; M183-E209 HydrophobicContact CB-CB 4Å; M183-E209 PolarHBondContact O-N 3.43Å
184V93.9Very high82.1Confident1 Ų167.1 Ų67.11%0.00637%0.37CS..EExtended strand (participates in β ladder)trans-118.1140.9-179.2-172.70000110.1R186 F194 K195 V197 L202 D206 I207 I208V184-R186 HydrophobicContact CG1-CG 3.81Å; V184-F194 CarbonylContact O-C 3.51Å; V184-F194 WeakPolarHBondContact O-CA 3.34Å; V184-K195 PolarHBondContact N-O 3.46Å; V184-K195 PolarHBondContact O-N 3.1Å; V184-V197 HydrophobicContact CB-CG2 4.2Å; V184-V197 HydrophobicContact CG2-CG2 3.32Å; V184-L202 HydrophobicContact CG2-CD2 3.48Å; V184-L202 VanDerWaalsContact CG2-CD2 3.48Å; V184-D206 HydrophobicContact CG1-CB 3.96Å; V184-I207 CarbonylContact C-O 3.57Å; V184-I207 WeakPolarHBondContact CA-O 3.46Å; V184-I207 WeakPolarHBondContact CG1-O 3.32Å; V184-I208 HydrophobicContact CG2-CG2 4.01Å
185Y93.9Very high83.2Confident58 Ų5864.1 Ų64.123%0.22736%0.355CS..EExtended strand (participates in β ladder)trans-97109.9173.4-173.3-131000110.6P90 K192 E193 F194 I207P90-Y185 HydrophobicContact CB-CD1 3.82Å; P90-Y185 HydrophobicContact CB-CE1 3.88Å; P90-Y185 HydrophobicContact CB-CG 4.29Å; P90-Y185 HydrophobicContact CG-CD1 4.2Å; P90-Y185 HydrophobicContact CG-CE1 3.74Å; Y185-K192 HydrophobicContact CE2-CB 3.88Å; Y185-K192 WeakPolarHBondContact OH-CB 3.38Å; Y185-E193 WeakPolarHBondContact CD2-O 3.25Å; Y185-F194 HydrophobicContact CD2-CD1 4.36Å; Y185-F194 AromaticContact CD2-CD2 3.76Å; Y185-F194 HydrophobicContact CD2-CD2 3.76Å; Y185-F194 HydrophobicContact CD2-CE1 4.23Å; Y185-F194 AromaticContact CD2-CE2 3.61Å; Y185-F194 HydrophobicContact CD2-CE2 3.61Å; Y185-F194 HydrophobicContact CD2-CG 4.14Å; Y185-F194 AromaticContact CD2-CZ 3.86Å; Y185-F194 HydrophobicContact CD2-CZ 3.86Å; Y185-F194 HydrophobicContact CE2-CD2 4.24Å; Y185-F194 AromaticContact CE2-CE2 3.96Å; Y185-F194 HydrophobicContact CE2-CE2 3.96Å; Y185-F194 HydrophobicContact CE2-CZ 4.49Å; Y185-F194 HydrophobicContact CG-CE1 4.13Å; Y185-F194 HydrophobicContact CG-CE2 4.17Å; Y185-F194 AromaticContact CG-CZ 3.93Å; Y185-F194 HydrophobicContact CG-CZ 3.93Å; Y185-I207 HydrophobicContact CD1-CD1 4.32Å; Y185-I207 HydrophobicContact CD1-CG2 4.48Å; Y185-I207 PolarHBondContact N-O 3.03Å
186R92.9Very high84.8Confident19 Ų1965.8 Ų65.87%0.07236%0.357CS..EExtended strand (participates in β ladder)trans-132.7163.5-177-75.8179.4-178158.73.6111.5V184 K192 E193 S201 D206V184-R186 HydrophobicContact CG1-CG 3.81Å; R186-K192 WeakPolarHBondContact O-CA 3.3Å; R186-E193 PolarHBondContact N-O 2.98Å; R186-E193 VanDerWaalsContact N-O 3.15Å; R186-E193 PolarHBondContact O-N 2.88Å; R186-E193 VanDerWaalsContact O-N 3.07Å; R186-S201 PolarHBondContact NH2-O 2.98Å; R186-D206 IonicContact CZ-OD1 3.1Å; R186-D206 IonicContact CZ-OD2 2.71Å; R186-D206 IonicContact NE-OD1 3.02Å; R186-D206 PolarHBondContact NE-OD1 3.35Å; R186-D206 IonicContact NE-OD2 2.73Å; R186-D206 VanDerWaalsContact NH2-CG 3.31Å; R186-D206 IonicContact NH2-OD1 3.03Å; R186-D206 PolarHBondContact NH2-OD1 2.87Å; R186-D206 IonicContact NH2-OD2 3.36Å; R186-D206 PolarHBondContact NH2-OD2 2.98Å
187E90.5Very high86.2Confident46 Ų4665.3 Ų65.322%0.21536%0.355CS..EExtended strand (participates in β ladder)trans-108.1105.4173.2-171.9176.113800109.6P90 L91 N92 V191 K192P90-E187 HydrophobicContact CB-CB 4.44Å; L91-E187 PolarHBondContact O-N 3.15Å; N92-E187 WeakPolarHBondContact CA-O 3.29Å; N92-E187 PolarHBondContact ND2-OE1 2.7Å; N92-E187 WeakPolarHBondContact OD1-CB 3.24Å; E187-V191 WeakPolarHBondContact CA-O 3.35Å; E187-K192 HydrophobicContact CB-CG 4.23Å; E187-K192 HydrophobicContact CG-CG 4.09Å; E187-K192 WeakPolarHBondContact OE2-CE 3.29Å
188E82.6Confident87.5Confident47 Ų4766.2 Ų66.222%0.2236%0.357CS..EExtended strand (participates in β ladder)trans-109.5127.9174.6-63-166.8168.300108.5N93 G190 V191 K195N93-E188 WeakPolarHBondContact ND2-CG 3.33Å; E188-G190 PolarHBondContact O-N 3.15Å; E188-V191 PolarHBondContact N-O 3.31Å; E188-V191 PolarHBondContact O-N 2.88Å; E188-K195 IonicContact OE1-NZ 2.91Å; E188-K195 PolarHBondContact OE1-NZ 2.94Å; E188-K195 IonicContact OE2-NZ 3.86Å; E188-K195 PolarHBondContact OE2-NZ 3.31Å
189D82Confident88.5Confident167 Ų16762.1 Ų62.189%0.89334%0.336SS*.THydrogen-bonded Turntrans51.231.4180-57.5-32000114.8V191D189-V191 VanDerWaalsContact C-N 3.35Å
190G80.9Confident89.2Confident57 Ų5761.6 Ų61.659%0.58833%0.327SS*.THydrogen-bonded Turntrans83.51.8-179.400000115E188E188-G190 PolarHBondContact O-N 3.15Å
191V85.4Confident89.6Confident87 Ų8760.7 Ų60.753%0.52732%0.321SS..EExtended strand (participates in β ladder)trans-102.4126.3176.9-176.20000109.9E187 E188 D189E187-V191 WeakPolarHBondContact CA-O 3.35Å; E188-V191 PolarHBondContact N-O 3.31Å; E188-V191 PolarHBondContact O-N 2.88Å; D189-V191 VanDerWaalsContact C-N 3.35Å
192K89.8Confident89.9Confident110 Ų11057.3 Ų57.348%0.47830%0.297SS..EExtended strand (participates in β ladder)trans-91.6110.5177.4-62.3175.7176.6-177.50110.1P90 Y185 R186 E187P90-K192 HydrophobicContact CG-CB 4.46Å; P90-K192 HydrophobicContact CG-CD 3.73Å; P90-K192 HydrophobicContact CG-CG 3.85Å; Y185-K192 HydrophobicContact CE2-CB 3.88Å; Y185-K192 WeakPolarHBondContact OH-CB 3.38Å; R186-K192 WeakPolarHBondContact O-CA 3.3Å; E187-K192 HydrophobicContact CB-CG 4.23Å; E187-K192 HydrophobicContact CG-CG 4.09Å; E187-K192 WeakPolarHBondContact OE2-CE 3.29Å
193E92.2Very high89.9Confident94 Ų9456.2 Ų56.244%0.43929%0.291SS..EExtended strand (participates in β ladder)trans-139159.9-177.464172.7-159.100113.1Y185 R186Y185-E193 WeakPolarHBondContact CD2-O 3.25Å; R186-E193 PolarHBondContact N-O 2.98Å; R186-E193 VanDerWaalsContact N-O 3.15Å; R186-E193 PolarHBondContact O-N 2.88Å; R186-E193 VanDerWaalsContact O-N 3.07Å
194F91.8Very high89.8Confident59 Ų5953.3 Ų53.326%0.25928%0.277SS..EExtended strand (participates in β ladder)trans-92.2126.3172.3-75.2-92.5000109.4M183 V184 Y185 E209 L285M183-F194 HydrophobicContact CE-CB 3.86Å; V184-F194 CarbonylContact O-C 3.51Å; V184-F194 WeakPolarHBondContact O-CA 3.34Å; Y185-F194 HydrophobicContact CD2-CD1 4.36Å; Y185-F194 AromaticContact CD2-CD2 3.76Å; Y185-F194 HydrophobicContact CD2-CD2 3.76Å; Y185-F194 HydrophobicContact CD2-CE1 4.23Å; Y185-F194 AromaticContact CD2-CE2 3.61Å; Y185-F194 HydrophobicContact CD2-CE2 3.61Å; Y185-F194 HydrophobicContact CD2-CG 4.14Å; Y185-F194 AromaticContact CD2-CZ 3.86Å; Y185-F194 HydrophobicContact CD2-CZ 3.86Å; Y185-F194 HydrophobicContact CE2-CD2 4.24Å; Y185-F194 AromaticContact CE2-CE2 3.96Å; Y185-F194 HydrophobicContact CE2-CE2 3.96Å; Y185-F194 HydrophobicContact CE2-CZ 4.49Å; Y185-F194 HydrophobicContact CG-CE1 4.13Å; Y185-F194 HydrophobicContact CG-CE2 4.17Å; Y185-F194 AromaticContact CG-CZ 3.93Å; Y185-F194 HydrophobicContact CG-CZ 3.93Å; F194-E209 HydrophobicContact CD1-CB 4.34Å; F194-E209 HydrophobicContact CE1-CB 4.14Å; F194-L285 HydrophobicContact CE1-CD2 3.79Å; F194-L285 HydrophobicContact CZ-CD2 3.9Å
195K90.7Very high89.6Confident80 Ų8053.3 Ų53.335%0.34828%0.277SS..EExtended strand (participates in β ladder)trans-131138.4-175.9-176173.9-179.8174.80110.6V184 E188 V197V184-K195 PolarHBondContact N-O 3.46Å; V184-K195 PolarHBondContact O-N 3.1Å; E188-K195 IonicContact OE1-NZ 2.91Å; E188-K195 PolarHBondContact OE1-NZ 2.94Å; E188-K195 IonicContact OE2-NZ 3.86Å; E188-K195 PolarHBondContact OE2-NZ 3.31Å; K195-V197 HydrophobicContact CG-CG1 4.23Å
196E92.3Very high89.5Confident124 Ų12450.6 Ų50.658%0.57927%0.266SS*.EExtended strand (participates in β ladder)trans-78123.1172.5-164.5173.6-177.500109.4S181 M183S181-E196 WeakPolarHBondContact CB-OE1 3.29Å; S181-E196 PolarHBondContact OG-OE1 3.48Å; M183-E196 HydrophobicContact SD-CB 3.57Å; M183-E196 VanDerWaalsContact SD-CB 3.57Å; M183-E196 HydrophobicContact SD-CG 4.04Å
197V91.4Very high89.6Confident22 Ų2250 Ų5013%0.13326%0.264CS..EExtended strand (participates in β ladder)trans-131160.9175.5-570000110.2S181 V182 V184 K195 S201S181-V197 WeakPolarHBondContact CA-O 3.44Å; V182-V197 PolarHBondContact N-O 3.13Å; V182-V197 PolarHBondContact O-N 3.15Å; V184-V197 HydrophobicContact CB-CG2 4.2Å; V184-V197 HydrophobicContact CG2-CG2 3.32Å; K195-V197 HydrophobicContact CG-CG1 4.23Å; V197-S201 WeakPolarHBondContact CB-OG 3.38Å; V197-S201 WeakPolarHBondContact CG2-OG 3.45Å
198D90.5Very high89.8Confident73 Ų7348.1 Ų48.139%0.3926%0.256SS..EExtended strand (participates in β ladder)trans-68134.7170.3-167.1-31.1000109.8I200 S201D198-I200 PolarHBondContact O-N 3.47Å; D198-I200 PolarHBondContact OD1-N 2.91Å; D198-S201 VanDerWaalsContact O-CB 3.31Å; D198-S201 WeakPolarHBondContact O-CB 3.35Å; D198-S201 PolarHBondContact O-N 3.03Å; D198-S201 PolarHBondContact O-OG 3.31Å
199S90.4Very high90.4Very high2 Ų248 Ų481%0.01426%0.255CS..G310 helixtrans-44.7-31.4169.7580000114.7N106 S179 S180 S201 L202N106-S199 WeakPolarHBondContact CB-O 3.49Å; N106-S199 PolarHBondContact ND2-O 3.31Å; S179-S199 WeakPolarHBondContact CA-OG 3.49Å; S179-S199 WeakPolarHBondContact CB-OG 3.46Å; S180-S199 PolarHBondContact N-OG 3.07Å; S180-S199 WeakPolarHBondContact O-CB 3.38Å; S180-S199 PolarHBondContact O-N 3.32Å; S180-S199 PolarHBondContact O-OG 3.31Å; S199-S201 PolarHBondContact O-N 3.29Å; S199-L202 WeakPolarHBondContact O-CB 3.39Å; S199-L202 WeakPolarHBondContact O-CG 3.5Å; S199-L202 PolarHBondContact O-N 3.46Å
200I90.2Very high91Very high49 Ų4940.3 Ų40.325%0.25121%0.214SC..G310 helixtrans-63-28.1177.9-62.5169.4000111.6M105 N106 E107 D198M105-I200 HydrophobicContact CB-CG2 4.2Å; N106-I200 PolarHBondContact N-O 3.42Å; E107-I200 HydrophobicContact CB-CG2 4.22Å; D198-I200 PolarHBondContact O-N 3.47Å; D198-I200 PolarHBondContact OD1-N 2.91Å
201S89.5Confident91.4Very high23 Ų2340.4 Ų40.416%0.16120%0.204CC..G310 helixtrans-85.1-5.9-174.879.10000114.5R100 R186 V197 D198 S199R100-S201 PolarHBondContact NH2-O 3.45Å; R186-S201 PolarHBondContact NH2-O 2.98Å; V197-S201 WeakPolarHBondContact CB-OG 3.38Å; V197-S201 WeakPolarHBondContact CG2-OG 3.45Å; D198-S201 VanDerWaalsContact O-CB 3.31Å; D198-S201 WeakPolarHBondContact O-CB 3.35Å; D198-S201 PolarHBondContact O-N 3.03Å; D198-S201 PolarHBondContact O-OG 3.31Å; S199-S201 PolarHBondContact O-N 3.29Å
202L92.3Very high91.4Very high1 Ų142.3 Ų42.31%0.00520%0.202CC..  trans-64.4141.2179.5-66.9174000111.5N106 V182 V184 S199 D206 I208N106-L202 HydrophobicContact CB-CB 4.19Å; V182-L202 HydrophobicContact CG2-CD1 4.4Å; V184-L202 HydrophobicContact CG2-CD2 3.48Å; V184-L202 VanDerWaalsContact CG2-CD2 3.48Å; S199-L202 WeakPolarHBondContact O-CB 3.39Å; S199-L202 WeakPolarHBondContact O-CG 3.5Å; S199-L202 PolarHBondContact O-N 3.46Å; L202-D206 HydrophobicContact CD2-CB 4.45Å; L202-I208 HydrophobicContact CD2-CG2 3.84Å
203V91.6Very high90.9Very high0 Ų044.6 Ų44.60%022%0.22CC..  trans-128.6154.2173.5-63.60000110.3L91 V96 N99 R100 G205 D206L91-V203 HydrophobicContact CD1-CG2 4.19Å; V96-V203 HydrophobicContact CG1-CG2 4.13Å; N99-V203 HydrophobicContact CB-CB 3.95Å; N99-V203 HydrophobicContact CB-CG1 4.47Å; N99-V203 HydrophobicContact CB-CG2 3.97Å; R100-V203 HydrophobicContact CB-CG1 3.81Å; R100-V203 HydrophobicContact CG-CG1 4.45Å; V203-G205 PolarHBondContact O-N 3.5Å; V203-D206 WeakPolarHBondContact CG2-OD2 3.3Å; V203-D206 PolarHBondContact N-OD2 2.91Å; V203-D206 WeakPolarHBondContact O-CB 3.36Å; V203-D206 PolarHBondContact O-N 3.46Å; V203-D206 VanDerWaalsContact O-N 3.13Å
204P90.7Very high90.6Very high1 Ų141 Ų411%0.00621%0.207CC..THydrogen-bonded Turntrans-54.9134172.2-25.335.8000111.7W77 N99 Y103 V288 T291W77-P204 HydrophobicContact CB-CB 3.97Å; W77-P204 HydrophobicContact CG-CB 4.16Å; N99-P204 PolarHBondContact ND2-O 3.42Å; Y103-P204 HydrophobicContact CD1-CG 3.94Å; Y103-P204 HydrophobicContact CD2-CB 4.14Å; Y103-P204 HydrophobicContact CD2-CG 3.61Å; Y103-P204 HydrophobicContact CE1-CG 4.23Å; Y103-P204 HydrophobicContact CE2-CB 4Å; Y103-P204 HydrophobicContact CE2-CG 3.93Å; Y103-P204 HydrophobicContact CG-CG 3.61Å; P204-V288 CarbonylContact C-O 3.6Å; P204-V288 WeakPolarHBondContact CA-O 3.46Å; P204-T291 HydrophobicContact CG-CG2 4.28Å
205G89.3Confident90.5Very high1 Ų140.1 Ų40.11%0.0121%0.208CC..THydrogen-bonded Turntrans95.6-12.6-173.500000116.3W77 L91 V203 V288W77-G205 VanDerWaalsContact CE2-CA 3.48Å; L91-G205 VanDerWaalsContact CD1-C 3.45Å; V203-G205 PolarHBondContact O-N 3.5Å; G205-V288 PolarHBondContact N-O 2.9Å
206D93.5Very high90.3Very high0 Ų039 Ų390%021%0.206CC..  trans-62.2138.5172.1-83.7-37.2000110.8V184 R186 L202 V203 V287 V288V184-D206 HydrophobicContact CG1-CB 3.96Å; R186-D206 IonicContact CZ-OD1 3.1Å; R186-D206 IonicContact CZ-OD2 2.71Å; R186-D206 IonicContact NE-OD1 3.02Å; R186-D206 PolarHBondContact NE-OD1 3.35Å; R186-D206 IonicContact NE-OD2 2.73Å; R186-D206 VanDerWaalsContact NH2-CG 3.31Å; R186-D206 IonicContact NH2-OD1 3.03Å; R186-D206 PolarHBondContact NH2-OD1 2.87Å; R186-D206 IonicContact NH2-OD2 3.36Å; R186-D206 PolarHBondContact NH2-OD2 2.98Å; L202-D206 HydrophobicContact CD2-CB 4.45Å; V203-D206 WeakPolarHBondContact CG2-OD2 3.3Å; V203-D206 PolarHBondContact N-OD2 2.91Å; V203-D206 WeakPolarHBondContact O-CB 3.36Å; V203-D206 PolarHBondContact O-N 3.46Å; V203-D206 VanDerWaalsContact O-N 3.13Å; D206-V287 CarbonylContact O-C 3.58Å; D206-V287 WeakPolarHBondContact O-CA 3.22Å; D206-V287 WeakPolarHBondContact O-CG2 3.46Å; D206-V288 HydrophobicContact CB-CB 4.41Å; D206-V288 HydrophobicContact CB-CG2 3.99Å; D206-V288 WeakPolarHBondContact O-CG2 3.46Å; D206-V288 PolarHBondContact O-N 2.9Å
207I95.1Very high90.3Very high6 Ų633.4 Ų33.43%0.03118%0.18CC..EExtended strand (participates in β ladder)trans-95.2124.6172-61.8170.7000108.1V184 Y185 L285 A286 V287V184-I207 CarbonylContact C-O 3.57Å; V184-I207 WeakPolarHBondContact CA-O 3.46Å; V184-I207 WeakPolarHBondContact CG1-O 3.32Å; Y185-I207 HydrophobicContact CD1-CD1 4.32Å; Y185-I207 HydrophobicContact CD1-CG2 4.48Å; Y185-I207 PolarHBondContact N-O 3.03Å; I207-L285 HydrophobicContact CG2-CB 4.25Å; I207-L285 HydrophobicContact CG2-CD2 4.49Å; I207-A286 CarbonylContact C-O 3.59Å; I207-A286 WeakPolarHBondContact CA-O 3.43Å; I207-V287 HydrophobicContact CG1-CB 4.45Å; I207-V287 HydrophobicContact CG1-CG2 4.02Å
208I94.8Very high90.1Very high8 Ų833.4 Ų33.44%0.04118%0.179CC..EExtended strand (participates in β ladder)trans-113.7145.8-178.957.5170.7000111.6V182 M183 V184 L202 I210 A221 L285 A286 V288V182-I208 HydrophobicContact CG1-CB 4.02Å; V182-I208 HydrophobicContact CG1-CG2 3.77Å; M183-I208 VanDerWaalsContact O-CA 3.32Å; M183-I208 WeakPolarHBondContact O-CA 3.49Å; V184-I208 HydrophobicContact CG2-CG2 4.01Å; L202-I208 HydrophobicContact CD2-CG2 3.84Å; I208-I210 HydrophobicContact CD1-CD1 3.88Å; I208-I210 HydrophobicContact CG1-CD1 4.16Å; I208-A221 HydrophobicContact CD1-CB 4.05Å; I208-L285 WeakPolarHBondContact O-CA 3.45Å; I208-A286 HydrophobicContact CG1-CB 4.1Å; I208-A286 VanDerWaalsContact CG1-O 3.32Å; I208-A286 WeakPolarHBondContact CG1-O 3.35Å; I208-A286 PolarHBondContact N-O 3.05Å; I208-A286 PolarHBondContact O-N 3.2Å; I208-V288 HydrophobicContact CG2-CG2 4.08Å
209E94.5Very high90.1Very high43 Ų4330 Ų3020%0.20116%0.16CC..EExtended strand (participates in β ladder)trans-91.5130.8170.5176.8176.3-171.500110.5M183 F194 R283 V284 L285M183-E209 HydrophobicContact CB-CB 4Å; M183-E209 PolarHBondContact O-N 3.43Å; F194-E209 HydrophobicContact CD1-CB 4.34Å; F194-E209 HydrophobicContact CE1-CB 4.14Å; E209-R283 WeakPolarHBondContact OE1-CD 3.1Å; E209-R283 IonicContact OE1-NE 3.63Å; E209-R283 IonicContact OE1-NH1 3.4Å; E209-R283 IonicContact OE2-CZ 3.95Å; E209-R283 IonicContact OE2-NH1 3.56Å; E209-R283 PolarHBondContact OE2-NH1 3.09Å; E209-V284 WeakPolarHBondContact CA-O 3.45Å; E209-L285 HydrophobicContact CB-CD2 4.31Å
210I94Very high90.2Very high7 Ų729.9 Ų29.94%0.03616%0.16CC..PPolyproline II helixtrans-96.2116.6176.1-48.5-58.4000109.2I208 L267 V273 T276 V284 A286I208-I210 HydrophobicContact CD1-CD1 3.88Å; I208-I210 HydrophobicContact CG1-CD1 4.16Å; I210-L267 HydrophobicContact CD1-CD1 3.78Å; I210-L267 HydrophobicContact CG1-CD1 3.9Å; I210-V273 HydrophobicContact CG2-CB 4.33Å; I210-V273 HydrophobicContact CG2-CG1 3.99Å; I210-V273 HydrophobicContact CG2-CG2 4.01Å; I210-T276 HydrophobicContact CB-CG2 4.02Å; I210-T276 HydrophobicContact CG2-CG2 3.46Å; I210-T276 VanDerWaalsContact CG2-CG2 3.46Å; I210-V284 HydrophobicContact CB-CB 4.4Å; I210-V284 HydrophobicContact CB-CG1 4.03Å; I210-V284 HydrophobicContact CG1-CG1 4.32Å; I210-V284 PolarHBondContact N-O 3.1Å; I210-A286 HydrophobicContact CD1-CB 4.32Å; I210-A286 HydrophobicContact CG1-CB 4.32Å
211P90.6Very high90.4Very high58 Ų5827.6 Ų27.638%0.37715%0.148SC..PPolyproline II helixtrans-68.5148.7-175.127.7-35.2000112.6N213 G214 C215 T276P211-N213 VanDerWaalsContact C-N 3.33Å; P211-N213 PolarHBondContact O-N 3.48Å; P211-G214 PolarHBondContact O-N 3.36Å; P211-C215 HydrophobicContact CG-CB 3.71Å; P211-T276 WeakPolarHBondContact O-CG2 3.03Å
212R83.4Confident90.5Very high128 Ų12826.5 Ų26.548%0.48314%0.14SC..THydrogen-bonded Turntrans-59.9-38.2-176.5-64.2-174.2-174.2-179.74.2114.1G214 T276 D281R212-G214 PolarHBondContact O-N 3.34Å; R212-T276 WeakPolarHBondContact CA-OG1 3.28Å; R212-T276 PolarHBondContact O-N 3.23Å; R212-D281 VanDerWaalsContact CZ-CG 3.46Å; R212-D281 IonicContact CZ-OD1 2.8Å; R212-D281 IonicContact CZ-OD2 2.67Å; R212-D281 IonicContact NH1-OD1 3.43Å; R212-D281 PolarHBondContact NH1-OD1 3.5Å; R212-D281 IonicContact NH1-OD2 3.58Å; R212-D281 PolarHBondContact NH1-OD2 3.5Å; R212-D281 PolarHBondContact NH2-O 2.87Å; R212-D281 IonicContact NH2-OD1 2.63Å; R212-D281 PolarHBondContact NH2-OD1 3.03Å; R212-D281 IonicContact NH2-OD2 3.74Å; R212-D281 PolarHBondContact NH2-OD2 3.04Å
213N81Confident90.4Very high158 Ų15826.4 Ų26.485%0.84514%0.14SC*.THydrogen-bonded Turntrans-83.910.8-176.9-58.9-1.3000113.3P211 I274P211-N213 VanDerWaalsContact C-N 3.33Å; P211-N213 PolarHBondContact O-N 3.48Å; N213-I274 CarbonylContact C-O 3.54Å
214G84.8Confident90.3Very high18 Ų1827.9 Ų27.919%0.18615%0.148CC..  trans85.9164.1-179.100000114.6P211 R212 V273 I274P211-G214 PolarHBondContact O-N 3.36Å; R212-G214 PolarHBondContact O-N 3.34Å; G214-V273 CarbonylContact C-O 3.57Å; G214-V273 WeakPolarHBondContact CA-O 3.34Å; G214-I274 WeakPolarHBondContact CA-O 3.25Å
215C89.6Confident90.1Very high40 Ų4030 Ų3027%0.2716%0.161SC..EExtended strand (participates in β ladder)trans-159.9161177.965.40000111.5P211 T272 V273P211-C215 HydrophobicContact CG-CB 3.71Å; C215-T272 CarbonylContact O-C 2.91Å; C215-T272 WeakPolarHBondContact O-CA 3.43Å; C215-V273 PolarHBondContact N-O 2.83Å; C215-V273 PolarHBondContact O-N 3.47Å
216L87.9Confident89.8Confident57 Ų5730.4 Ų30.430%0.29816%0.164SC..EExtended strand (participates in β ladder)trans-80.6123.9165.5179.866.9000109I178 Q218 T272I178-L216 HydrophobicContact CG2-CD2 4.17Å; L216-Q218 PolarHBondContact O-N 3.06Å; L216-T272 HydrophobicContact CD1-CG2 3.69Å
217V90.7Very high89.3Confident7 Ų732.5 Ų32.54%0.04218%0.175CC..  trans-77.2123.6180-176.90000109.3C219 L267 F268 A269 G270 T271 V273V217-C219 WeakPolarHBondContact CG1-O 3.24Å; V217-L267 HydrophobicContact CG1-CB 4.1Å; V217-L267 HydrophobicContact CG2-CB 4.29Å; V217-F268 WeakPolarHBondContact CB-O 3.24Å; V217-F268 WeakPolarHBondContact CG1-O 3.06Å; V217-A269 CarbonylContact O-C 3.31Å; V217-A269 WeakPolarHBondContact O-CA 3.42Å; V217-G270 PolarHBondContact O-N 2.89Å; V217-T271 WeakPolarHBondContact CB-O 3.16Å; V217-T271 WeakPolarHBondContact CG2-O 3.13Å; V217-T271 PolarHBondContact N-O 3.39Å; V217-V273 HydrophobicContact CG2-CG2 3.69Å
218Q88.4Confident88.9Confident22 Ų2232.2 Ų32.210%0.10317%0.174CC..  trans-103.4-0.3-175-61-67.1-1.700114.5N106 I178 S180 L216N106-Q218 PolarHBondContact ND2-O 3.22Å; N106-Q218 PolarHBondContact OD1-O 3.43Å; I178-Q218 PolarHBondContact O-OE1 3.27Å; S180-Q218 WeakPolarHBondContact OG-CG 3.32Å; S180-Q218 PolarHBondContact OG-NE2 3.32Å; L216-Q218 PolarHBondContact O-N 3.06Å
219C90.8Very high88.4Confident1 Ų131.9 Ų31.91%0.00717%0.172CC..SBendtrans-150.6164.6-179.259.60000109.6V217 A269 V288 T291V217-C219 WeakPolarHBondContact CG1-O 3.24Å; C219-A269 PolarHBondContact O-N 3.42Å; C219-V288 HydrophobicContact CB-CG1 4.02Å; C219-T291 HydrophobicContact CB-CG2 4.37Å
220D91.9Very high88Confident0 Ų029.8 Ų29.80%016%0.163CC..EExtended strand (participates in β ladder)trans-84119.2169.3-62.4-15.1000107.5L267 F268 A269 A289 R290 T295 V296D220-L267 CarbonylContact C-O 3.47Å; D220-L267 WeakPolarHBondContact CA-O 3.34Å; D220-F268 WeakPolarHBondContact OD1-CA 3.08Å; D220-A269 PolarHBondContact OD1-N 3.15Å; D220-A289 WeakPolarHBondContact O-CA 3.47Å; D220-A289 WeakPolarHBondContact O-CB 3.4Å; D220-A289 PolarHBondContact O-N 2.89Å; D220-R290 HydrophobicContact CB-CB 4.06Å; D220-R290 PolarHBondContact N-O 2.94Å; D220-R290 PolarHBondContact O-N 3.22Å; D220-R290 VanDerWaalsContact O-N 3.1Å; D220-T295 WeakPolarHBondContact OD2-CA 3.47Å; D220-V296 PolarHBondContact OD2-N 3.18Å
221A93.2Very high87.3Confident0 Ų031.6 Ų31.60%017%0.172CC..EExtended strand (participates in β ladder)trans-129.6142.4-174.800000111.9I208 I266 L267 A286 V287I208-A221 HydrophobicContact CD1-CB 4.05Å; A221-I266 CarbonylContact O-C 3.57Å; A221-I266 VanDerWaalsContact O-CA 3.32Å; A221-I266 WeakPolarHBondContact O-CA 3.46Å; A221-L267 PolarHBondContact N-O 3.29Å; A221-L267 PolarHBondContact O-N 3.45Å; A221-A286 HydrophobicContact CB-CB 4.04Å; A221-V287 CarbonylContact C-O 3.5Å; A221-V287 WeakPolarHBondContact CA-O 3.43Å
222I92Very high86.6Confident0 Ų029.2 Ų29.20%016%0.156CC..EExtended strand (participates in β ladder)trans-94.9124.6178.9-58.3165000108.7I85 L247 F257 H265 I266 A286 V287 A289I85-I222 HydrophobicContact CD1-CD1 4.02Å; I85-I222 HydrophobicContact CG2-CB 4.47Å; I85-I222 HydrophobicContact CG2-CD1 4Å; I85-I222 HydrophobicContact CG2-CG2 4.15Å; I222-L247 HydrophobicContact CG2-CB 4.29Å; I222-L247 HydrophobicContact CG2-CD2 4.14Å; I222-F257 HydrophobicContact CD1-CD1 4.03Å; I222-F257 HydrophobicContact CD1-CE1 3.55Å; I222-F257 HydrophobicContact CD1-CE2 4.18Å; I222-F257 HydrophobicContact CD1-CZ 3.63Å; I222-F257 HydrophobicContact CG1-CE1 4.02Å; I222-F257 HydrophobicContact CG1-CZ 3.81Å; I222-F257 HydrophobicContact CG2-CE2 4.39Å; I222-F257 HydrophobicContact CG2-CZ 4.29Å; I222-H265 CarbonylContact C-O 3.56Å; I222-H265 WeakPolarHBondContact CA-O 3.32Å; I222-I266 HydrophobicContact CG1-CG1 4.24Å; I222-A286 CarbonylContact O-C 2.91Å; I222-A286 WeakPolarHBondContact O-CA 3.33Å; I222-A286 WeakPolarHBondContact O-CB 3.34Å; I222-V287 HydrophobicContact CB-CG1 4.04Å; I222-V287 PolarHBondContact N-O 3.4Å; I222-V287 PolarHBondContact O-N 3.21Å; I222-A289 HydrophobicContact CD1-CB 3.97Å; I222-A289 HydrophobicContact CG1-CB 4.03Å
223L91.2Very high85.5Confident0 Ų024.8 Ų24.80%015%0.145CC..EExtended strand (participates in β ladder)trans-72.7124.8-177.9-168.360.6000110.6G226 C228 K244 P246 L247 H265 L267 V284 A286L223-G226 VanDerWaalsContact CD2-O 3.25Å; L223-G226 WeakPolarHBondContact CD2-O 3.39Å; L223-C228 HydrophobicContact CD2-CB 4.35Å; L223-K244 HydrophobicContact CD2-CB 4.06Å; L223-P246 HydrophobicContact CG-CB 4.49Å; L223-P246 CarbonylContact O-C 3.56Å; L223-P246 WeakPolarHBondContact O-CA 3.43Å; L223-L247 PolarHBondContact O-N 2.96Å; L223-H265 PolarHBondContact N-O 3.4Å; L223-L267 HydrophobicContact CD1-CD1 4.42Å; L223-V284 HydrophobicContact CD1-CG1 3.86Å; L223-A286 HydrophobicContact CD1-CB 4.31Å
224L89.6Confident84.4Confident31 Ų3119.5 Ų19.516%0.16212%0.118CC..  trans-101.7-42.5-178.6-60.7177.1000112.1I85 S88 P246 L285 V287I85-L224 HydrophobicContact CG2-CD2 4.41Å; S88-L224 WeakPolarHBondContact OG-CD1 3.17Å; L224-P246 VanDerWaalsContact O-CB 3.23Å; L224-P246 WeakPolarHBondContact O-CB 3.01Å; L224-L285 WeakPolarHBondContact CA-O 3.19Å; L224-L285 WeakPolarHBondContact CB-O 3.4Å; L224-L285 PolarHBondContact N-O 3.32Å; L224-V287 HydrophobicContact CD1-CB 4.07Å; L224-V287 HydrophobicContact CD1-CG1 4.42Å; L224-V287 HydrophobicContact CD2-CG1 4.09Å; L224-V287 HydrophobicContact CG-CB 4.41Å; L224-V287 HydrophobicContact CG-CG1 4.33Å
225T85.2Confident82.9Confident46 Ų4619.6 Ų19.628%0.28211%0.114SC..SBendtrans-137.5147.8-17864.30000111.1R283 V284 L285T225-R283 PolarHBondContact OG1-O 3.49Å; T225-V284 WeakPolarHBondContact O-CA 3.4Å; T225-V284 WeakPolarHBondContact O-CG1 3.3Å; T225-L285 PolarHBondContact N-O 3Å; T225-L285 VanDerWaalsContact N-O 3.15Å; T225-L285 PolarHBondContact O-N 3.39Å; T225-L285 WeakPolarHBondContact OG1-CB 3.34Å; T225-L285 PolarHBondContact OG1-N 3.15Å
226G83.2Confident81.2Confident8 Ų819.6 Ų19.68%0.08211%0.113CC..SBendtrans70168.4-177.700000113.9L223 P246L223-G226 VanDerWaalsContact CD2-O 3.25Å; L223-G226 WeakPolarHBondContact CD2-O 3.39Å; G226-P246 WeakPolarHBondContact O-CD 3.28Å
227N83.4Confident79.2Confident44 Ų4417.9 Ų17.924%0.23511%0.109CC..EExtended strand (participates in β ladder)trans-105.4146.7176.1-61.3-22000109.7T243 K244 P246 T276 R277N227-T243 HydrophobicContact CB-CG2 4.42Å; N227-K244 VanDerWaalsContact CA-O 3.31Å; N227-K244 WeakPolarHBondContact CA-O 3.28Å; N227-P246 WeakPolarHBondContact OD1-CD 3.26Å; N227-T276 CarbonylContact O-C 3.43Å; N227-T276 WeakPolarHBondContact O-CA 3.36Å; N227-R277 HydrophobicContact CB-CB 4.33Å; N227-R277 PolarHBondContact N-O 3.14Å; N227-R277 PolarHBondContact O-N 3.44Å
228C86.9Confident77.4Confident0 Ų022.2 Ų22.20%013%0.129CC..EExtended strand (participates in β ladder)trans-119.8132.7174.8-640000109.6L223 V230 K244 L267 V273L223-C228 HydrophobicContact CD2-CB 4.35Å; C228-V230 HydrophobicContact CB-CG2 3.84Å; C228-K244 HydrophobicContact CB-CB 4.41Å; C228-K244 PolarHBondContact N-O 2.93Å; C228-K244 PolarHBondContact O-N 3.16Å; C228-L267 HydrophobicContact CB-CD2 3.89Å; C228-V273 HydrophobicContact CB-CG1 4.19Å
229I84.9Confident75.6Confident1 Ų125.7 Ų25.71%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-93.8116167.3-67.5169.7000106.8P241 I274 Q275 R277 I457I229-P241 HydrophobicContact CG2-CB 3.97Å; I229-I274 HydrophobicContact CG2-CB 4.46Å; I229-I274 HydrophobicContact CG2-CD1 4.24Å; I229-I274 PolarHBondContact O-N 2.83Å; I229-Q275 HydrophobicContact CB-CG 4.01Å; I229-Q275 HydrophobicContact CD1-CG 3.91Å; I229-Q275 VanDerWaalsContact CD1-NE2 3.27Å; I229-Q275 HydrophobicContact CG1-CG 4.39Å; I229-Q275 PolarHBondContact N-O 3.41Å; I229-R277 VanDerWaalsContact CD1-NE 3.3Å; I229-I457 HydrophobicContact CG2-CD1 3.61Å; I229-I457 HydrophobicContact CG2-CG1 4.28Å
230V85.3Confident74.3Confident0 Ų027 Ų270%016%0.164CC..EExtended strand (participates in β ladder)trans-118.9128.5-169.7-168.80000109C228 E232 P241 V242 K244 L267 T271 V273C228-V230 HydrophobicContact CB-CG2 3.84Å; V230-E232 HydrophobicContact CB-CG 4.03Å; V230-E232 HydrophobicContact CG1-CG 3.66Å; V230-E232 PolarHBondContact O-N 2.9Å; V230-P241 WeakPolarHBondContact O-CA 3.45Å; V230-V242 PolarHBondContact N-O 2.97Å; V230-V242 PolarHBondContact O-N 3.38Å; V230-K244 HydrophobicContact CB-CG 4.43Å; V230-K244 HydrophobicContact CG2-CB 4.45Å; V230-K244 HydrophobicContact CG2-CG 3.72Å; V230-L267 HydrophobicContact CG2-CD2 3.58Å; V230-T271 HydrophobicContact CG1-CG2 4.43Å; V230-T271 WeakPolarHBondContact CG1-OG1 3.24Å; V230-V273 HydrophobicContact CG2-CG2 4.29Å
231N79.9Confident73.4Confident44 Ų4428.2 Ų28.224%0.23517%0.172CC..EExtended strand (participates in β ladder)trans-80.8102.2162.5-175.6-3.3000108.2S233 T272 I274N231-S233 PolarHBondContact ND2-OG 3.37Å; N231-S233 WeakPolarHBondContact OD1-CB 3.43Å; N231-S233 PolarHBondContact OD1-N 2.85Å; N231-S233 PolarHBondContact OD1-OG 3.23Å; N231-T272 WeakPolarHBondContact CB-OG1 3.3Å; N231-T272 PolarHBondContact N-O 3.32Å; N231-T272 PolarHBondContact O-N 2.83Å; N231-T272 VanDerWaalsContact O-N 3.16Å; N231-I274 HydrophobicContact CB-CD1 3.99Å; N231-I274 HydrophobicContact CB-CG1 4.11Å
232E76Confident72.6Confident8 Ų830.8 Ų30.84%0.03719%0.187CC..  trans-96.715.1176.1-54.5-160.4137.100112.6V230 T234 L235 T236 K244 F268 T271V230-E232 HydrophobicContact CB-CG 4.03Å; V230-E232 HydrophobicContact CG1-CG 3.66Å; V230-E232 PolarHBondContact O-N 2.9Å; E232-T234 PolarHBondContact O-N 3.34Å; E232-L235 PolarHBondContact O-N 3.04Å; E232-T236 HydrophobicContact CB-CG2 3.89Å; E232-T236 WeakPolarHBondContact O-CB 3.18Å; E232-T236 PolarHBondContact O-N 3.43Å; E232-T236 PolarHBondContact O-OG1 3.08Å; E232-K244 WeakPolarHBondContact OE1-CE 3.07Å; E232-K244 IonicContact OE1-NZ 3.47Å; E232-K244 PolarHBondContact OE1-NZ 3.21Å; E232-K244 WeakPolarHBondContact OE2-CE 3.36Å; E232-K244 IonicContact OE2-NZ 4Å; E232-K244 PolarHBondContact OE2-NZ 3.45Å; E232-F268 WeakPolarHBondContact OE1-CD2 3.46Å; E232-T271 HydrophobicContact CB-CG2 4.02Å; E232-T271 HydrophobicContact CG-CG2 3.86Å
233S59.6Low72Confident35 Ų3533.4 Ų33.425%0.24520%0.203CC..Hα-helixtrans-58.7-29.6-17958.90000113.1N231 G237 E238N231-S233 PolarHBondContact ND2-OG 3.37Å; N231-S233 WeakPolarHBondContact OD1-CB 3.43Å; N231-S233 PolarHBondContact OD1-N 2.85Å; N231-S233 PolarHBondContact OD1-OG 3.23Å; S233-G237 VanDerWaalsContact O-CA 3.28Å; S233-G237 WeakPolarHBondContact O-CA 3.43Å; S233-G237 PolarHBondContact O-N 3.05Å; S233-G237 VanDerWaalsContact O-N 3.07Å; S233-E238 WeakPolarHBondContact CA-O 3.25Å; S233-E238 VanDerWaalsContact CB-O 3.25Å; S233-E238 WeakPolarHBondContact CB-O 3.24Å
234T57.1Low71.6Confident47 Ų4733.7 Ų33.729%0.28821%0.205SC..Hα-helixtrans-54-64.116915.90000109.3E232 G270 E987E232-T234 PolarHBondContact O-N 3.34Å; T234-G270 PolarHBondContact OG1-O 2.99Å; T234-E987 WeakPolarHBondContact CB-OE1 3.42Å; T234-E987 HydrophobicContact CG2-CG 4.21Å; T234-E987 WeakPolarHBondContact CG2-OE1 3.47Å; T234-E987 WeakPolarHBondContact O-CB 3.48Å; T234-E987 WeakPolarHBondContact O-CG 3.03Å
235L55.1Low71.2Confident21 Ų2135.1 Ų35.111%0.1121%0.212CC..Hα-helixtrans-79.9-35.4-172.8-65.6175.2000115.8E232 F268 T271 V296 A968 E987E232-L235 PolarHBondContact O-N 3.04Å; L235-F268 HydrophobicContact CD1-CB 3.03Å; L235-F268 HydrophobicContact CD1-CD2 4.35Å; L235-F268 HydrophobicContact CD1-CG 3.87Å; L235-T271 HydrophobicContact CB-CG2 4.41Å; L235-T271 HydrophobicContact CD1-CG2 3.39Å; L235-T271 HydrophobicContact CG-CG2 3.89Å; L235-V296 HydrophobicContact CD2-CB 4.29Å; L235-V296 HydrophobicContact CD2-CG1 3.9Å; L235-A968 WeakPolarHBondContact O-CB 3.12Å; L235-E987 WeakPolarHBondContact CA-OE2 3.47Å; L235-E987 WeakPolarHBondContact CD2-OE2 3.46Å
236T52.7Low71.1Confident39 Ų3934.3 Ų34.324%0.23921%0.207CC..Hα-helixtrans-97-20.4-171.462.80000112.8E232 E238 A968E232-T236 HydrophobicContact CB-CG2 3.89Å; E232-T236 WeakPolarHBondContact O-CB 3.18Å; E232-T236 PolarHBondContact O-N 3.43Å; E232-T236 PolarHBondContact O-OG1 3.08Å; T236-E238 PolarHBondContact O-N 2.92Å; T236-E238 VanDerWaalsContact O-N 3.16Å; T236-E238 PolarHBondContact OG1-N 3Å; T236-A968 VanDerWaalsContact CA-CB 3.42Å; T236-A968 WeakPolarHBondContact O-CB 2.9Å; T236-A968 PolarHBondContact O-N 3.04Å
237G47Very low71Confident21 Ų2134.4 Ų34.422%0.21621%0.206CC..  trans72.7-12.9-170.600000114.3S233 S239S233-G237 VanDerWaalsContact O-CA 3.28Å; S233-G237 WeakPolarHBondContact O-CA 3.43Å; S233-G237 PolarHBondContact O-N 3.05Å; S233-G237 VanDerWaalsContact O-N 3.07Å; G237-S239 PolarHBondContact O-N 3.19Å
238E51.5Low70.4Confident98 Ų9836.5 Ų36.546%0.45822%0.22SC..  trans-69.9119.3175.2-62.5-69.4172.800108.7S233 T236 V240S233-E238 WeakPolarHBondContact CA-O 3.25Å; S233-E238 VanDerWaalsContact CB-O 3.25Å; S233-E238 WeakPolarHBondContact CB-O 3.24Å; T236-E238 PolarHBondContact O-N 2.92Å; T236-E238 VanDerWaalsContact O-N 3.16Å; T236-E238 PolarHBondContact OG1-N 3Å; E238-V240 PolarHBondContact O-N 3.29Å
239S51.1Low69.4Low96 Ų9643.3 Ų43.367%0.67126%0.256SS*.  trans-69.8-13.4-179.358.20000113.2G237G237-S239 PolarHBondContact O-N 3.19Å
240V64.1Low68.2Low29 Ų2944.7 Ų44.718%0.17627%0.267CS..SBendtrans-86.5126.9-174.8175.40000110.7E238 G463 P465E238-V240 PolarHBondContact O-N 3.29Å; V240-G463 WeakPolarHBondContact CG1-O 3.4Å; V240-P465 HydrophobicContact CG2-CG 4.16Å
241P73.3Confident66.9Low25 Ų2551.2 Ų51.216%0.16231%0.309CS..  trans-60.2137.7172.5-25.836.8000112.6I229 V230 I274 I457I229-P241 HydrophobicContact CG2-CB 3.97Å; V230-P241 WeakPolarHBondContact O-CA 3.45Å; P241-I274 HydrophobicContact CB-CD1 3.91Å; P241-I274 HydrophobicContact CG-CD1 3.81Å; P241-I457 HydrophobicContact CB-CD1 3.61Å; P241-I457 HydrophobicContact CG-CD1 3.64Å
242V74.6Confident65.8Low53 Ų5352.1 Ų52.132%0.32132%0.318SS..EExtended strand (participates in β ladder)trans-108.8135.1-179-178.20000109.7V230V230-V242 PolarHBondContact N-O 2.97Å; V230-V242 PolarHBondContact O-N 3.38Å
243T79.6Confident65.1Low55 Ų5560.6 Ų60.634%0.33736%0.355SS..EExtended strand (participates in β ladder)trans-84.5119.1171.7-58.90000110N227N227-T243 HydrophobicContact CB-CG2 4.42Å
244K84.3Confident65.3Low7 Ų761.4 Ų61.43%0.0337%0.369CS..EExtended strand (participates in β ladder)trans-92.8138.5171.7-58.8-66.5-177.2169.60109.9L223 N227 C228 V230 E232 G263 R264 I266 L267L223-K244 HydrophobicContact CD2-CB 4.06Å; N227-K244 VanDerWaalsContact CA-O 3.31Å; N227-K244 WeakPolarHBondContact CA-O 3.28Å; C228-K244 HydrophobicContact CB-CB 4.41Å; C228-K244 PolarHBondContact N-O 2.93Å; C228-K244 PolarHBondContact O-N 3.16Å; V230-K244 HydrophobicContact CB-CG 4.43Å; V230-K244 HydrophobicContact CG2-CB 4.45Å; V230-K244 HydrophobicContact CG2-CG 3.72Å; E232-K244 WeakPolarHBondContact OE1-CE 3.07Å; E232-K244 IonicContact OE1-NZ 3.47Å; E232-K244 PolarHBondContact OE1-NZ 3.21Å; E232-K244 WeakPolarHBondContact OE2-CE 3.36Å; E232-K244 IonicContact OE2-NZ 4Å; E232-K244 PolarHBondContact OE2-NZ 3.45Å; K244-G263 PolarHBondContact NZ-O 3.02Å; K244-R264 WeakPolarHBondContact CA-O 3.25Å; K244-R264 WeakPolarHBondContact CB-O 3.35Å; K244-R264 VanDerWaalsContact CD-O 3.23Å; K244-R264 WeakPolarHBondContact CD-O 3.45Å; K244-I266 WeakPolarHBondContact CD-O 3.21Å; K244-I266 VanDerWaalsContact CE-O 3.31Å; K244-I266 WeakPolarHBondContact CE-O 3.33Å; K244-I266 PolarHBondContact NZ-O 3.3Å; K244-L267 HydrophobicContact CB-CD2 4.21Å; K244-L267 HydrophobicContact CG-CD2 4.04Å
245I81Confident65.9Low61 Ų6161.9 Ų61.931%0.31337%0.372SS..  trans-118.2150.1-177.352.9166.1000109.9R264 H265I245-R264 PolarHBondContact N-O 2.85Å; I245-H265 WeakPolarHBondContact O-CA 3.09Å; I245-H265 PolarHBondContact O-ND1 2.87Å
246P83.7Confident66.6Low29 Ų2965.2 Ų65.219%0.18839%0.389CS..  trans-64.5154.4-178.526.5-32.3000111L223 L224 G226 N227 T248 H265L223-P246 HydrophobicContact CG-CB 4.49Å; L223-P246 CarbonylContact O-C 3.56Å; L223-P246 WeakPolarHBondContact O-CA 3.43Å; L224-P246 VanDerWaalsContact O-CB 3.23Å; L224-P246 WeakPolarHBondContact O-CB 3.01Å; G226-P246 WeakPolarHBondContact O-CD 3.28Å; N227-P246 WeakPolarHBondContact OD1-CD 3.26Å; P246-T248 PolarHBondContact O-N 3.3Å; P246-H265 PolarHBondContact O-ND1 2.69Å; P246-H265 VanDerWaalsContact O-ND1 3.1Å
247L79.1Confident67.6Low9 Ų963.8 Ų63.85%0.04738%0.38CS..  trans-61.2130.2173.9-163.168.5000109.4Y82 I85 L86 I222 L223 F257 H265Y82-L247 HydrophobicContact CD1-CD2 4.45Å; Y82-L247 HydrophobicContact CD2-CD2 4.49Å; Y82-L247 HydrophobicContact CE1-CD1 4.38Å; Y82-L247 HydrophobicContact CE1-CD2 4.11Å; Y82-L247 HydrophobicContact CE1-CG 3.9Å; Y82-L247 HydrophobicContact CE2-CD1 3.56Å; Y82-L247 HydrophobicContact CE2-CD2 4.14Å; Y82-L247 HydrophobicContact CE2-CG 3.95Å; Y82-L247 VanDerWaalsContact CZ-CD1 3.47Å; Y82-L247 VanDerWaalsContact CZ-CG 3.47Å; Y82-L247 WeakPolarHBondContact OH-CD1 3.37Å; Y82-L247 WeakPolarHBondContact OH-CG 3.48Å; I85-L247 HydrophobicContact CB-CD2 4.21Å; I85-L247 HydrophobicContact CG2-CD2 3.77Å; L86-L247 HydrophobicContact CD2-CB 3.96Å; L86-L247 HydrophobicContact CD2-CD2 4Å; L86-L247 HydrophobicContact CD2-CG 4.1Å; L86-L247 HydrophobicContact CG-CD2 4.12Å; I222-L247 HydrophobicContact CG2-CB 4.29Å; I222-L247 HydrophobicContact CG2-CD2 4.14Å; L223-L247 PolarHBondContact O-N 2.96Å; L247-F257 HydrophobicContact CD1-CD2 4.35Å; L247-F257 HydrophobicContact CD1-CE2 3.78Å; L247-F257 HydrophobicContact CD2-CE2 4.46Å; L247-H265 HydrophobicContact CD1-CB 3.94Å
248T71.7Confident68.7Low88 Ų8865.7 Ų65.754%0.5439%0.385SS..  trans-114.4146.7-175.5380000111Y82 P246 S250Y82-T248 WeakPolarHBondContact CE1-O 3.3Å; Y82-T248 PolarHBondContact OH-N 2.88Å; Y82-T248 PolarHBondContact OH-O 3.2Å; P246-T248 PolarHBondContact O-N 3.3Å; T248-S250 PolarHBondContact O-N 2.98Å
249D65.7Low69.7Low143 Ų14362 Ų6277%0.76537%0.368SS*.  trans-43.8132.4-173.7-72-27.3000115.1L86L86-D249 WeakPolarHBondContact CD1-OD1 3.45Å
250S59.9Low70.3Confident31 Ų3164.7 Ų64.722%0.21737%0.368CS..  trans-66.3142.5179.6-167.10000111T248 S252 T255T248-S250 PolarHBondContact O-N 2.98Å; S250-S252 PolarHBondContact O-N 2.89Å; S250-S252 PolarHBondContact OG-O 2.97Å; S250-S252 VanDerWaalsContact OG-O 3.13Å; S250-T255 PolarHBondContact OG-OG1 2.56Å
251P58.1Low70.2Confident136 Ų13669.8 Ų69.888%0.88339%0.394SS*.SBendtrans-65.7-19.8172.825.7-33.5000113.4
252S57.5Low70.3Confident63 Ų6370.7 Ų70.744%0.44140%0.395SS..SBendtrans-135.4139.7-177.249.40000112.5S250 T255S250-S252 PolarHBondContact O-N 2.89Å; S250-S252 PolarHBondContact OG-O 2.97Å; S250-S252 VanDerWaalsContact OG-O 3.13Å; S252-T255 PolarHBondContact O-OG1 2.95Å; S252-T255 PolarHBondContact OG-OG1 3.46Å
253K60.1Low70.1Confident186 Ų18669 Ų6981%0.80939%0.388SS*.THydrogen-bonded Turntrans-70.9140.9177.3-70.5-164.5171.7-172.40112.4E83 T255E83-K253 WeakPolarHBondContact OE1-CA 3.3Å; E83-K253 WeakPolarHBondContact OE1-CB 3.48Å; E83-K253 VanDerWaalsContact OE1-CG 3.29Å; E83-K253 WeakPolarHBondContact OE1-CG 3.34Å; K253-T255 VanDerWaalsContact C-N 3.34Å; K253-T255 PolarHBondContact O-N 2.98Å
254G63.9Low69.9Low52 Ų5271.4 Ų71.454%0.53639%0.392SS..THydrogen-bonded Turntrans77.58.3176.400000116.3E83 L256E83-G254 PolarHBondContact OE1-N 3.26Å; E83-G254 VanDerWaalsContact OE1-N 3.13Å; G254-L256 PolarHBondContact O-N 3.35Å
255T70.1Confident69.9Low57 Ų5772.1 Ų72.135%0.3540%0.395SS..PPolyproline II helixtrans-65.5127.5175-23.80000110Y82 S250 S252 K253Y82-T255 WeakPolarHBondContact CB-O 3.21Å; Y82-T255 PolarHBondContact N-O 3.34Å; S250-T255 PolarHBondContact OG-OG1 2.56Å; S252-T255 PolarHBondContact O-OG1 2.95Å; S252-T255 PolarHBondContact OG-OG1 3.46Å; K253-T255 VanDerWaalsContact C-N 3.34Å; K253-T255 PolarHBondContact O-N 2.98Å
256L70.1Confident70.3Confident91 Ų9169.2 Ų69.248%0.47638%0.38SS..BIsolated β-bridgetrans-72141176.6-65.5175.6000110.3E79 G254E79-L256 WeakPolarHBondContact O-CD2 3.4Å; G254-L256 PolarHBondContact O-N 3.35Å
257F73.8Confident70.7Confident9 Ų967.9 Ų67.94%0.03937%0.371CS..PPolyproline II helixtrans-64.8142.9171.3-172-100.6000110.4H78 T80 Y82 I85 I222 L247 H262 I266H78-F257 HydrophobicContact CB-CD1 4.18Å; H78-F257 CarbonylContact O-C 3.49Å; T80-F257 PolarHBondContact O-N 2.82Å; T80-F257 VanDerWaalsContact O-N 3.12Å; Y82-F257 HydrophobicContact CD2-CD2 4.31Å; Y82-F257 HydrophobicContact CE2-CD2 4.45Å; I85-F257 HydrophobicContact CD1-CB 3.51Å; I85-F257 HydrophobicContact CD1-CD1 4.29Å; I85-F257 HydrophobicContact CD1-CD2 3.91Å; I85-F257 HydrophobicContact CD1-CG 3.66Å; I222-F257 HydrophobicContact CD1-CD1 4.03Å; I222-F257 HydrophobicContact CD1-CE1 3.55Å; I222-F257 HydrophobicContact CD1-CE2 4.18Å; I222-F257 HydrophobicContact CD1-CZ 3.63Å; I222-F257 HydrophobicContact CG1-CE1 4.02Å; I222-F257 HydrophobicContact CG1-CZ 3.81Å; I222-F257 HydrophobicContact CG2-CE2 4.39Å; I222-F257 HydrophobicContact CG2-CZ 4.29Å; L247-F257 HydrophobicContact CD1-CD2 4.35Å; L247-F257 HydrophobicContact CD1-CE2 3.78Å; L247-F257 HydrophobicContact CD2-CE2 4.46Å; F257-H262 HydrophobicContact CD2-CB 4.19Å; F257-H262 HydrophobicContact CE1-CB 4.49Å; F257-H262 HydrophobicContact CE2-CB 3.43Å; F257-H262 VanDerWaalsContact CE2-CB 3.43Å; F257-H262 AromaticContact CE2-CG 3.74Å; F257-H262 HydrophobicContact CZ-CB 3.63Å; F257-I266 HydrophobicContact CE1-CD1 3.72Å; F257-I266 HydrophobicContact CE1-CG1 4.39Å; F257-I266 HydrophobicContact CZ-CD1 3.61Å; F257-I266 HydrophobicContact CZ-CG1 3.89Å
258D69.8Low71.1Confident61 Ų6168.9 Ų68.933%0.32638%0.375SS..  trans-133113.8174.3-174.6-23000108.9K260 L261 H262D258-K260 PolarHBondContact O-N 3.18Å; D258-K260 VanDerWaalsContact O-N 3.16Å; D258-K260 WeakPolarHBondContact OD1-CB 3.45Å; D258-K260 PolarHBondContact OD1-N 3.38Å; D258-L261 HydrophobicContact CB-CB 4.21Å; D258-L261 HydrophobicContact CB-CD1 3.94Å; D258-L261 PolarHBondContact O-N 2.93Å; D258-L261 WeakPolarHBondContact OD2-CD1 3.22Å; D258-H262 PolarHBondContact N-ND1 3.16Å; D258-H262 WeakPolarHBondContact O-CB 3.29Å; D258-H262 PolarHBondContact O-N 3.36Å; D258-H262 PolarHBondContact O-ND1 2.91Å
259I72Confident71.8Confident21 Ų2164.8 Ų64.811%0.10835%0.351CS..THydrogen-bonded Turntrans-54.7-32.4-179.4-168.2135000112.8G263 I266 F268I259-G263 PolarHBondContact O-N 3.23Å; I259-I266 HydrophobicContact CB-CD1 4.13Å; I259-I266 HydrophobicContact CD1-CD1 3.91Å; I259-I266 HydrophobicContact CG1-CD1 3.51Å; I259-F268 HydrophobicContact CD1-CE1 4.22Å; I259-F268 HydrophobicContact CG1-CE1 4.08Å
260K63.4Low72.5Confident152 Ų15258.2 Ų58.266%0.66132%0.317SS*.THydrogen-bonded Turntrans-76.1-39.6-178.3-64.6-168.6177.2-167.60111.9D258 E945D258-K260 PolarHBondContact O-N 3.18Å; D258-K260 VanDerWaalsContact O-N 3.16Å; D258-K260 WeakPolarHBondContact OD1-CB 3.45Å; D258-K260 PolarHBondContact OD1-N 3.38Å; K260-E945 IonicContact NZ-OE1 3.74Å; K260-E945 PolarHBondContact NZ-OE1 3.21Å
261L63.6Low73.7Confident137 Ų13756.8 Ų56.872%0.71731%0.306SS*.THydrogen-bonded Turntrans-75.4-35.7177.1-85.8135.8000111.9D258D258-L261 HydrophobicContact CB-CB 4.21Å; D258-L261 HydrophobicContact CB-CD1 3.94Å; D258-L261 PolarHBondContact O-N 2.93Å; D258-L261 WeakPolarHBondContact OD2-CD1 3.22Å
262H73.9Confident75Confident43 Ų4352.8 Ų52.820%0.19928%0.28CS..  trans-103.418.3-170.7-58.396.1000113.8Y82 F257 D258 R264 H265Y82-H262 AromaticContact CE2-NE2 3.88Å; F257-H262 HydrophobicContact CD2-CB 4.19Å; F257-H262 HydrophobicContact CE1-CB 4.49Å; F257-H262 HydrophobicContact CE2-CB 3.43Å; F257-H262 VanDerWaalsContact CE2-CB 3.43Å; F257-H262 AromaticContact CE2-CG 3.74Å; F257-H262 HydrophobicContact CZ-CB 3.63Å; D258-H262 PolarHBondContact N-ND1 3.16Å; D258-H262 WeakPolarHBondContact O-CB 3.29Å; D258-H262 PolarHBondContact O-N 3.36Å; D258-H262 PolarHBondContact O-ND1 2.91Å; H262-R264 PolarHBondContact O-N 3Å; H262-H265 PolarHBondContact O-N 3Å
263G71.4Confident76.6Confident17 Ų1750 Ų5018%0.17526%0.26CS..G310 helixtrans-55.2-18.1-177.300000115.4K244 I259 H265 I266K244-G263 PolarHBondContact NZ-O 3.02Å; I259-G263 PolarHBondContact O-N 3.23Å; G263-H265 VanDerWaalsContact C-N 3.26Å; G263-H265 PolarHBondContact O-N 3.49Å; G263-I266 PolarHBondContact O-N 3.08Å
264R75.8Confident77.7Confident107 Ų10743.4 Ų43.440%0.40423%0.233SC..G310 helixtrans-71.3-18.4173.6-67.3-177.9177.1-174.4-4.5114.4K244 I245 H262 F529K244-R264 WeakPolarHBondContact CA-O 3.25Å; K244-R264 WeakPolarHBondContact CB-O 3.35Å; K244-R264 VanDerWaalsContact CD-O 3.23Å; K244-R264 WeakPolarHBondContact CD-O 3.45Å; I245-R264 PolarHBondContact N-O 2.85Å; H262-R264 PolarHBondContact O-N 3Å; R264-F529 VanDerWaalsContact CZ-O 3.25Å; R264-F529 PolarHBondContact NH1-O 3.31Å; R264-F529 PolarHBondContact NH2-O 3.16Å
265H84.2Confident78.6Confident22 Ų2243.5 Ų43.510%0.10222%0.219CC..G310 helixtrans-101.67.3179.1-51.7-66.6000111.7I222 L223 I245 P246 L247 H262 G263I222-H265 CarbonylContact C-O 3.56Å; I222-H265 WeakPolarHBondContact CA-O 3.32Å; L223-H265 PolarHBondContact N-O 3.4Å; I245-H265 WeakPolarHBondContact O-CA 3.09Å; I245-H265 PolarHBondContact O-ND1 2.87Å; P246-H265 PolarHBondContact O-ND1 2.69Å; P246-H265 VanDerWaalsContact O-ND1 3.1Å; L247-H265 HydrophobicContact CD1-CB 3.94Å; H262-H265 PolarHBondContact O-N 3Å; G263-H265 VanDerWaalsContact C-N 3.26Å; G263-H265 PolarHBondContact O-N 3.49Å
266I88.7Confident79.3Confident0 Ų041.7 Ų41.70%021%0.208CC..EExtended strand (participates in β ladder)trans-120.7130.6-170.5-55.2174.7000109.3A221 I222 K244 F257 I259 G263 F268A221-I266 CarbonylContact O-C 3.57Å; A221-I266 VanDerWaalsContact O-CA 3.32Å; A221-I266 WeakPolarHBondContact O-CA 3.46Å; I222-I266 HydrophobicContact CG1-CG1 4.24Å; K244-I266 WeakPolarHBondContact CD-O 3.21Å; K244-I266 VanDerWaalsContact CE-O 3.31Å; K244-I266 WeakPolarHBondContact CE-O 3.33Å; K244-I266 PolarHBondContact NZ-O 3.3Å; F257-I266 HydrophobicContact CE1-CD1 3.72Å; F257-I266 HydrophobicContact CE1-CG1 4.39Å; F257-I266 HydrophobicContact CZ-CD1 3.61Å; F257-I266 HydrophobicContact CZ-CG1 3.89Å; I259-I266 HydrophobicContact CB-CD1 4.13Å; I259-I266 HydrophobicContact CD1-CD1 3.91Å; I259-I266 HydrophobicContact CG1-CD1 3.51Å; G263-I266 PolarHBondContact O-N 3.08Å; I266-F268 HydrophobicContact CB-CE1 4.24Å; I266-F268 HydrophobicContact CB-CE2 4.28Å; I266-F268 HydrophobicContact CB-CZ 4.02Å; I266-F268 HydrophobicContact CG2-CD1 3.77Å; I266-F268 HydrophobicContact CG2-CD2 4.46Å; I266-F268 HydrophobicContact CG2-CE1 3.64Å; I266-F268 HydrophobicContact CG2-CE2 4.34Å; I266-F268 HydrophobicContact CG2-CG 4.19Å; I266-F268 HydrophobicContact CG2-CZ 3.94Å
267L91.1Very high79.6Confident0 Ų041 Ų410%020%0.199CC..EExtended strand (participates in β ladder)trans-92.6116.6165.6-54.7179.3000107.1I210 V217 D220 A221 L223 C228 V230 K244 A286I210-L267 HydrophobicContact CD1-CD1 3.78Å; I210-L267 HydrophobicContact CG1-CD1 3.9Å; V217-L267 HydrophobicContact CG1-CB 4.1Å; V217-L267 HydrophobicContact CG2-CB 4.29Å; D220-L267 CarbonylContact C-O 3.47Å; D220-L267 WeakPolarHBondContact CA-O 3.34Å; A221-L267 PolarHBondContact N-O 3.29Å; A221-L267 PolarHBondContact O-N 3.45Å; L223-L267 HydrophobicContact CD1-CD1 4.42Å; C228-L267 HydrophobicContact CB-CD2 3.89Å; V230-L267 HydrophobicContact CG2-CD2 3.58Å; K244-L267 HydrophobicContact CB-CD2 4.21Å; K244-L267 HydrophobicContact CG-CD2 4.04Å; L267-A286 HydrophobicContact CD1-CB 4.22Å
268F89.2Confident79.2Confident30 Ų3042.9 Ų42.913%0.13221%0.21CC..PPolyproline II helixtrans-95.6147.1-176.3-63.4-78.4000112.1V217 D220 E232 L235 I259 I266 G270 T271 V296V217-F268 WeakPolarHBondContact CB-O 3.24Å; V217-F268 WeakPolarHBondContact CG1-O 3.06Å; D220-F268 WeakPolarHBondContact OD1-CA 3.08Å; E232-F268 WeakPolarHBondContact OE1-CD2 3.46Å; L235-F268 HydrophobicContact CD1-CB 3.03Å; L235-F268 HydrophobicContact CD1-CD2 4.35Å; L235-F268 HydrophobicContact CD1-CG 3.87Å; I259-F268 HydrophobicContact CD1-CE1 4.22Å; I259-F268 HydrophobicContact CG1-CE1 4.08Å; I266-F268 HydrophobicContact CB-CE1 4.24Å; I266-F268 HydrophobicContact CB-CE2 4.28Å; I266-F268 HydrophobicContact CB-CZ 4.02Å; I266-F268 HydrophobicContact CG2-CD1 3.77Å; I266-F268 HydrophobicContact CG2-CD2 4.46Å; I266-F268 HydrophobicContact CG2-CE1 3.64Å; I266-F268 HydrophobicContact CG2-CE2 4.34Å; I266-F268 HydrophobicContact CG2-CG 4.19Å; I266-F268 HydrophobicContact CG2-CZ 3.94Å; F268-G270 PolarHBondContact O-N 3.43Å; F268-T271 HydrophobicContact CB-CG2 4.12Å; F268-T271 WeakPolarHBondContact O-CB 3.46Å; F268-T271 WeakPolarHBondContact O-CG2 3.47Å; F268-T271 PolarHBondContact O-N 3.39Å; F268-T271 PolarHBondContact O-OG1 2.84Å; F268-V296 HydrophobicContact CD1-CB 4.42Å; F268-V296 HydrophobicContact CD1-CG2 3.55Å; F268-V296 HydrophobicContact CE1-CG2 3.87Å; F268-V296 HydrophobicContact CG-CG2 4.47Å
269A86.5Confident78.8Confident3 Ų348.2 Ų48.23%0.02523%0.227CC..THydrogen-bonded Turntrans-59.6135.7179.200000111.7V217 C219 D220 T271 T295 K297V217-A269 CarbonylContact O-C 3.31Å; V217-A269 WeakPolarHBondContact O-CA 3.42Å; C219-A269 PolarHBondContact O-N 3.42Å; D220-A269 PolarHBondContact OD1-N 3.15Å; A269-T271 VanDerWaalsContact C-N 3.35Å; A269-T295 HydrophobicContact CB-CG2 3.96Å; A269-K297 HydrophobicContact CB-CB 4.04Å; A269-K297 WeakPolarHBondContact O-CB 3.25Å
270G80Confident78.3Confident5 Ų551.8 Ų51.85%0.05226%0.259CS..THydrogen-bonded Turntrans89.7-9.6-17700000114.9V217 T234 F268V217-G270 PolarHBondContact O-N 2.89Å; T234-G270 PolarHBondContact OG1-O 2.99Å; F268-G270 PolarHBondContact O-N 3.43Å
271T84.4Confident78.4Confident0 Ų050 Ų500%026%0.257CS..  trans-81.8154.1171.367.10000111V217 V230 E232 L235 F268 A269V217-T271 WeakPolarHBondContact CB-O 3.16Å; V217-T271 WeakPolarHBondContact CG2-O 3.13Å; V217-T271 PolarHBondContact N-O 3.39Å; V230-T271 HydrophobicContact CG1-CG2 4.43Å; V230-T271 WeakPolarHBondContact CG1-OG1 3.24Å; E232-T271 HydrophobicContact CB-CG2 4.02Å; E232-T271 HydrophobicContact CG-CG2 3.86Å; L235-T271 HydrophobicContact CB-CG2 4.41Å; L235-T271 HydrophobicContact CD1-CG2 3.39Å; L235-T271 HydrophobicContact CG-CG2 3.89Å; F268-T271 HydrophobicContact CB-CG2 4.12Å; F268-T271 WeakPolarHBondContact O-CB 3.46Å; F268-T271 WeakPolarHBondContact O-CG2 3.47Å; F268-T271 PolarHBondContact O-N 3.39Å; F268-T271 PolarHBondContact O-OG1 2.84Å; A269-T271 VanDerWaalsContact C-N 3.35Å
272T86.3Confident79.1Confident53 Ų5349.6 Ų49.633%0.32525%0.252SS..EExtended strand (participates in β ladder)trans-109.7118.6175.757.40000109.7C215 L216 N231 I274C215-T272 CarbonylContact O-C 2.91Å; C215-T272 WeakPolarHBondContact O-CA 3.43Å; L216-T272 HydrophobicContact CD1-CG2 3.69Å; N231-T272 WeakPolarHBondContact CB-OG1 3.3Å; N231-T272 PolarHBondContact N-O 3.32Å; N231-T272 PolarHBondContact O-N 2.83Å; N231-T272 VanDerWaalsContact O-N 3.16Å; T272-I274 PolarHBondContact O-N 3.32Å
273V90Very high79.6Confident5 Ų553.5 Ų53.53%0.0327%0.265CS..EExtended strand (participates in β ladder)trans-67120.3164.6-177.50000106.6I210 G214 C215 V217 C228 V230 T276I210-V273 HydrophobicContact CG2-CB 4.33Å; I210-V273 HydrophobicContact CG2-CG1 3.99Å; I210-V273 HydrophobicContact CG2-CG2 4.01Å; G214-V273 CarbonylContact C-O 3.57Å; G214-V273 WeakPolarHBondContact CA-O 3.34Å; C215-V273 PolarHBondContact N-O 2.83Å; C215-V273 PolarHBondContact O-N 3.47Å; V217-V273 HydrophobicContact CG2-CG2 3.69Å; C228-V273 HydrophobicContact CB-CG1 4.19Å; V230-V273 HydrophobicContact CG2-CG2 4.29Å; V273-T276 HydrophobicContact CG1-CG2 3.93Å
274I84.2Confident80.5Confident46 Ų4652.9 Ų52.924%0.23626%0.257CS..EExtended strand (participates in β ladder)trans-78.3-49.7176.3-61.2168.7000109N213 G214 I229 N231 P241 T272 I457N213-I274 CarbonylContact C-O 3.54Å; G214-I274 WeakPolarHBondContact CA-O 3.25Å; I229-I274 HydrophobicContact CG2-CB 4.46Å; I229-I274 HydrophobicContact CG2-CD1 4.24Å; I229-I274 PolarHBondContact O-N 2.83Å; N231-I274 HydrophobicContact CB-CD1 3.99Å; N231-I274 HydrophobicContact CB-CG1 4.11Å; P241-I274 HydrophobicContact CB-CD1 3.91Å; P241-I274 HydrophobicContact CG-CD1 3.81Å; T272-I274 PolarHBondContact O-N 3.32Å; I274-I457 HydrophobicContact CD1-CD1 4.14Å; I274-I457 HydrophobicContact CD1-CG2 4.43Å; I274-I457 HydrophobicContact CG2-CG2 3.8Å
275Q82.7Confident81.3Confident54 Ų5449.4 Ų49.425%0.25225%0.247SC..EExtended strand (participates in β ladder)trans-154154.318060.8-177.9-2.900111I229I229-Q275 HydrophobicContact CB-CG 4.01Å; I229-Q275 HydrophobicContact CD1-CG 3.91Å; I229-Q275 VanDerWaalsContact CD1-NE2 3.27Å; I229-Q275 HydrophobicContact CG1-CG 4.39Å; I229-Q275 PolarHBondContact N-O 3.41Å
276T84.8Confident81.8Confident19 Ų1948.4 Ų48.412%0.11724%0.242CC..EExtended strand (participates in β ladder)trans-107.1148.117072.20000111.2I210 P211 R212 N227 V273 V284I210-T276 HydrophobicContact CB-CG2 4.02Å; I210-T276 HydrophobicContact CG2-CG2 3.46Å; I210-T276 VanDerWaalsContact CG2-CG2 3.46Å; P211-T276 WeakPolarHBondContact O-CG2 3.03Å; R212-T276 WeakPolarHBondContact CA-OG1 3.28Å; R212-T276 PolarHBondContact O-N 3.23Å; N227-T276 CarbonylContact O-C 3.43Å; N227-T276 WeakPolarHBondContact O-CA 3.36Å; V273-T276 HydrophobicContact CG1-CG2 3.93Å; T276-V284 HydrophobicContact CG2-CB 4.45Å; T276-V284 HydrophobicContact CG2-CG1 4.21Å
277R75.2Confident82Confident76 Ų7648.4 Ų48.429%0.28724%0.242SC..EExtended strand (participates in β ladder)trans-124.2127.5177.9-64.5-175.9176.6-167.9-3.1108.3N227 I229 E480N227-R277 HydrophobicContact CB-CB 4.33Å; N227-R277 PolarHBondContact N-O 3.14Å; N227-R277 PolarHBondContact O-N 3.44Å; I229-R277 VanDerWaalsContact CD1-NE 3.3Å; R277-E480 IonicContact CZ-OE1 3.07Å; R277-E480 IonicContact CZ-OE2 3.28Å; R277-E480 IonicContact NH1-OE1 2.69Å; R277-E480 PolarHBondContact NH1-OE1 2.86Å; R277-E480 IonicContact NH1-OE2 3.54Å; R277-E480 IonicContact NH2-OE1 2.69Å; R277-E480 PolarHBondContact NH2-OE1 3.03Å; R277-E480 IonicContact NH2-OE2 2.7Å; R277-E480 PolarHBondContact NH2-OE2 2.91Å
278N66.6Low82.1Confident50 Ų5048.4 Ų48.427%0.26724%0.242SC..  trans-139.6152.1174.4-150.6-0.6000112E282 R283 V284N278-E282 WeakPolarHBondContact ND2-CB 3.44Å; N278-E282 PolarHBondContact ND2-O 3.39Å; N278-R283 PolarHBondContact ND2-O 3.34Å; N278-V284 HydrophobicContact CB-CG2 3.96Å
279Y60.4Low82.2Confident172 Ų17247 Ų4768%0.67524%0.236SC*.G310 helixtrans-77.9138173-65.9-81.5000109.1D281Y279-D281 VanDerWaalsContact C-N 3.25Å; Y279-D281 PolarHBondContact O-N 3.48Å; Y279-D281 VanDerWaalsContact O-N 3.16Å
280A61.5Low82.4Confident96 Ų9648.4 Ų48.479%0.79324%0.241SC*.G310 helixtrans57.228.3173.900000116.2E282A280-E282 VanDerWaalsContact C-N 3.26Å; A280-E282 PolarHBondContact O-N 3.12Å
281D65.7Low82.9Confident114 Ų11448.3 Ų48.361%0.6124%0.239SC*.G310 helixtrans67.616.2171.2-130.439.5000115.8R212 Y279R212-D281 VanDerWaalsContact CZ-CG 3.46Å; R212-D281 IonicContact CZ-OD1 2.8Å; R212-D281 IonicContact CZ-OD2 2.67Å; R212-D281 IonicContact NH1-OD1 3.43Å; R212-D281 PolarHBondContact NH1-OD1 3.5Å; R212-D281 IonicContact NH1-OD2 3.58Å; R212-D281 PolarHBondContact NH1-OD2 3.5Å; R212-D281 PolarHBondContact NH2-O 2.87Å; R212-D281 IonicContact NH2-OD1 2.63Å; R212-D281 PolarHBondContact NH2-OD1 3.03Å; R212-D281 IonicContact NH2-OD2 3.74Å; R212-D281 PolarHBondContact NH2-OD2 3.04Å; Y279-D281 VanDerWaalsContact C-N 3.25Å; Y279-D281 PolarHBondContact O-N 3.48Å; Y279-D281 VanDerWaalsContact O-N 3.16Å
282E77.7Confident83.1Confident129 Ų12948.5 Ų48.560%0.60324%0.241SC*.  trans-67.7162176.1-69.3-17417200113.6N278 A280N278-E282 WeakPolarHBondContact ND2-CB 3.44Å; N278-E282 PolarHBondContact ND2-O 3.39Å; A280-E282 VanDerWaalsContact C-N 3.26Å; A280-E282 PolarHBondContact O-N 3.12Å
283R84.8Confident83.1Confident125 Ų12547 Ų4747%0.47223%0.23SC..  trans-74.2141.1177.3-63.3-175.3-174.1-149.38.2111.8E209 T225 N278 L285E209-R283 WeakPolarHBondContact OE1-CD 3.1Å; E209-R283 IonicContact OE1-NE 3.63Å; E209-R283 IonicContact OE1-NH1 3.4Å; E209-R283 IonicContact OE2-CZ 3.95Å; E209-R283 IonicContact OE2-NH1 3.56Å; E209-R283 PolarHBondContact OE2-NH1 3.09Å; T225-R283 PolarHBondContact OG1-O 3.49Å; N278-R283 PolarHBondContact ND2-O 3.34Å; R283-L285 HydrophobicContact CB-CD2 4.21Å
284V90.8Very high82.9Confident4 Ų448.2 Ų48.22%0.02424%0.235CC..  trans-92.9114.6176.5177.90000108.2E209 I210 L223 T225 T276 N278E209-V284 WeakPolarHBondContact CA-O 3.45Å; I210-V284 HydrophobicContact CB-CB 4.4Å; I210-V284 HydrophobicContact CB-CG1 4.03Å; I210-V284 HydrophobicContact CG1-CG1 4.32Å; I210-V284 PolarHBondContact N-O 3.1Å; L223-V284 HydrophobicContact CD1-CG1 3.86Å; T225-V284 WeakPolarHBondContact O-CA 3.4Å; T225-V284 WeakPolarHBondContact O-CG1 3.3Å; T276-V284 HydrophobicContact CG2-CB 4.45Å; T276-V284 HydrophobicContact CG2-CG1 4.21Å; N278-V284 HydrophobicContact CB-CG2 3.96Å
285L93.3Very high83Confident35 Ų3546.2 Ų46.218%0.18322%0.224CC..EExtended strand (participates in β ladder)trans-113.6141.2-172.8-56.7178.9000110.6F194 I207 I208 E209 L224 T225 R283F194-L285 HydrophobicContact CE1-CD2 3.79Å; F194-L285 HydrophobicContact CZ-CD2 3.9Å; I207-L285 HydrophobicContact CG2-CB 4.25Å; I207-L285 HydrophobicContact CG2-CD2 4.49Å; I208-L285 WeakPolarHBondContact O-CA 3.45Å; E209-L285 HydrophobicContact CB-CD2 4.31Å; L224-L285 WeakPolarHBondContact CA-O 3.19Å; L224-L285 WeakPolarHBondContact CB-O 3.4Å; L224-L285 PolarHBondContact N-O 3.32Å; T225-L285 PolarHBondContact N-O 3Å; T225-L285 VanDerWaalsContact N-O 3.15Å; T225-L285 PolarHBondContact O-N 3.39Å; T225-L285 WeakPolarHBondContact OG1-CB 3.34Å; T225-L285 PolarHBondContact OG1-N 3.15Å; R283-L285 HydrophobicContact CB-CD2 4.21Å
286A93.8Very high82.7Confident0 Ų046 Ų460%023%0.226CC..EExtended strand (participates in β ladder)trans-135.9153.7172.200000110.1I207 I208 I210 A221 I222 L223 L267I207-A286 CarbonylContact C-O 3.59Å; I207-A286 WeakPolarHBondContact CA-O 3.43Å; I208-A286 HydrophobicContact CG1-CB 4.1Å; I208-A286 VanDerWaalsContact CG1-O 3.32Å; I208-A286 WeakPolarHBondContact CG1-O 3.35Å; I208-A286 PolarHBondContact N-O 3.05Å; I208-A286 PolarHBondContact O-N 3.2Å; I210-A286 HydrophobicContact CD1-CB 4.32Å; I210-A286 HydrophobicContact CG1-CB 4.32Å; A221-A286 HydrophobicContact CB-CB 4.04Å; I222-A286 CarbonylContact O-C 2.91Å; I222-A286 WeakPolarHBondContact O-CA 3.33Å; I222-A286 WeakPolarHBondContact O-CB 3.34Å; L223-A286 HydrophobicContact CD1-CB 4.31Å; L267-A286 HydrophobicContact CD1-CB 4.22Å
287V93.5Very high82.3Confident0 Ų046.6 Ų46.60%023%0.227CC..EExtended strand (participates in β ladder)trans-113.6132.7179.670.70000111.6W77 I85 D206 I207 A221 I222 L224 A289W77-V287 HydrophobicContact CE3-CG1 4.43Å; W77-V287 HydrophobicContact CE3-CG2 4.03Å; W77-V287 HydrophobicContact CH2-CG2 3.69Å; W77-V287 HydrophobicContact CZ3-CB 4.09Å; W77-V287 HydrophobicContact CZ3-CG1 3.81Å; W77-V287 HydrophobicContact CZ3-CG2 3.16Å; I85-V287 HydrophobicContact CG2-CG1 3.98Å; D206-V287 CarbonylContact O-C 3.58Å; D206-V287 WeakPolarHBondContact O-CA 3.22Å; D206-V287 WeakPolarHBondContact O-CG2 3.46Å; I207-V287 HydrophobicContact CG1-CB 4.45Å; I207-V287 HydrophobicContact CG1-CG2 4.02Å; A221-V287 CarbonylContact C-O 3.5Å; A221-V287 WeakPolarHBondContact CA-O 3.43Å; I222-V287 HydrophobicContact CB-CG1 4.04Å; I222-V287 PolarHBondContact N-O 3.4Å; I222-V287 PolarHBondContact O-N 3.21Å; L224-V287 HydrophobicContact CD1-CB 4.07Å; L224-V287 HydrophobicContact CD1-CG1 4.42Å; L224-V287 HydrophobicContact CD2-CG1 4.09Å; L224-V287 HydrophobicContact CG-CB 4.41Å; L224-V287 HydrophobicContact CG-CG1 4.33Å; V287-A289 PolarHBondContact O-N 3.44Å
288V93.4Very high82.5Confident0 Ų043 Ų430%021%0.214CC..EExtended strand (participates in β ladder)trans-69.4121.3-174.2-179.40000110.3P204 G205 D206 I208 C219 T291P204-V288 CarbonylContact C-O 3.6Å; P204-V288 WeakPolarHBondContact CA-O 3.46Å; G205-V288 PolarHBondContact N-O 2.9Å; D206-V288 HydrophobicContact CB-CB 4.41Å; D206-V288 HydrophobicContact CB-CG2 3.99Å; D206-V288 WeakPolarHBondContact O-CG2 3.46Å; D206-V288 PolarHBondContact O-N 2.9Å; I208-V288 HydrophobicContact CG2-CG2 4.08Å; C219-V288 HydrophobicContact CB-CG1 4.02Å; V288-T291 HydrophobicContact CG1-CG2 3.55Å
289A90.2Very high82.9Confident1 Ų145.2 Ų45.21%0.00822%0.223CC..EExtended strand (participates in β ladder)trans-99.9-40179.900000113.3W77 D220 I222 V287W77-A289 WeakPolarHBondContact CB-O 3.45Å; W77-A289 PolarHBondContact N-O 3.4Å; D220-A289 WeakPolarHBondContact O-CA 3.47Å; D220-A289 WeakPolarHBondContact O-CB 3.4Å; D220-A289 PolarHBondContact O-N 2.89Å; I222-A289 HydrophobicContact CD1-CB 3.97Å; I222-A289 HydrophobicContact CG1-CB 4.03Å; V287-A289 PolarHBondContact O-N 3.44Å
290R90.2Very high83.2Confident32 Ų3238.3 Ų38.312%0.12120%0.197CC..EExtended strand (participates in β ladder)trans-142.5147.9178.6-52.9-176.8-179.3-179.4-4.8111.4H78 D220 Y294 T295 E299H78-R290 PolarHBondContact CD2-NH2 3.39Å; H78-R290 PolarHBondContact CE1-NE 2.84Å; H78-R290 VanDerWaalsContact CE1-NE 3.31Å; H78-R290 PolarHBondContact CE1-NH2 3.12Å; H78-R290 VanDerWaalsContact CE1-NH2 3.29Å; H78-R290 PolarHBondContact ND1-NE 3.4Å; H78-R290 PolarHBondContact NE2-NH2 3.4Å; D220-R290 HydrophobicContact CB-CB 4.06Å; D220-R290 PolarHBondContact N-O 2.94Å; D220-R290 PolarHBondContact O-N 3.22Å; D220-R290 VanDerWaalsContact O-N 3.1Å; R290-Y294 WeakPolarHBondContact CD-O 3.19Å; R290-T295 HydrophobicContact CB-CG2 4.3Å; R290-T295 WeakPolarHBondContact O-CG2 3.46Å; R290-E299 IonicContact NH1-OE1 3.19Å
291T91.2Very high83.6Confident3 Ų334 Ų342%0.01816%0.161CC..  trans-131.7156.8-178.955.50000111.9N106 P204 C219 V288 F293 Y294N106-T291 HydrophobicContact CB-CG2 4.02Å; N106-T291 WeakPolarHBondContact OD1-CA 3.48Å; N106-T291 VanDerWaalsContact OD1-CB 3.28Å; N106-T291 WeakPolarHBondContact OD1-CB 3.21Å; P204-T291 HydrophobicContact CG-CG2 4.28Å; C219-T291 HydrophobicContact CB-CG2 4.37Å; V288-T291 HydrophobicContact CG1-CG2 3.55Å; T291-F293 PolarHBondContact O-N 2.91Å; T291-Y294 PolarHBondContact O-N 2.91Å
292G87.6Confident84.2Confident4 Ų430.6 Ų30.64%0.04114%0.14CC..G310 helixtrans54.1-129.4175.200000113.4N106 Y294 T295N106-G292 PolarHBondContact OD1-N 3.41Å; G292-Y294 PolarHBondContact O-N 2.93Å; G292-Y294 VanDerWaalsContact O-N 3.15Å; G292-T295 PolarHBondContact O-N 3.35Å; G292-T295 PolarHBondContact O-OG1 3.2Å
293F86.5Confident83.3Confident22 Ų2225.2 Ų25.210%0.09612%0.116CC..G310 helixtrans-66.9-8.8-177-78.8-62.5000116C59 I108 T291 V301 R302 L305C59-F293 HydrophobicContact CB-CB 4.23Å; C59-F293 HydrophobicContact CB-CD1 3.87Å; C59-F293 HydrophobicContact CB-CD2 3.55Å; C59-F293 HydrophobicContact CB-CE1 4.01Å; C59-F293 HydrophobicContact CB-CE2 3.74Å; C59-F293 HydrophobicContact CB-CG 3.6Å; C59-F293 HydrophobicContact CB-CZ 3.96Å; I108-F293 HydrophobicContact CB-CZ 4.43Å; I108-F293 HydrophobicContact CG2-CD1 4.37Å; I108-F293 HydrophobicContact CG2-CE1 3.63Å; I108-F293 HydrophobicContact CG2-CZ 3.74Å; T291-F293 PolarHBondContact O-N 2.91Å; F293-V301 HydrophobicContact CE1-CG1 4.42Å; F293-R302 HydrophobicContact CD1-CG 3.41Å; F293-R302 VanDerWaalsContact CD1-CG 3.41Å; F293-R302 HydrophobicContact CE1-CG 3.87Å; F293-R302 HydrophobicContact CG-CG 4.3Å; F293-L305 HydrophobicContact CE1-CD1 4.16Å; F293-L305 HydrophobicContact CZ-CD1 4.39Å
294Y86.4Confident82.3Confident31 Ų3121.3 Ų21.312%0.12210%0.104CC..G310 helixtrans-91.1-14.6176-60.4-90000113.1L60 K61 L73 I74 R290 T291 G292L60-Y294 HydrophobicContact CD2-CD1 3.77Å; L60-Y294 HydrophobicContact CD2-CE1 3.62Å; L60-Y294 HydrophobicContact CD2-CG 4.4Å; K61-Y294 WeakPolarHBondContact CA-OH 3.39Å; K61-Y294 WeakPolarHBondContact CB-OH 3.43Å; K61-Y294 PolarHBondContact N-OH 3.43Å; L73-Y294 HydrophobicContact CD1-CE1 3.92Å; I74-Y294 HydrophobicContact CB-CE1 4.46Å; R290-Y294 WeakPolarHBondContact CD-O 3.19Å; T291-Y294 PolarHBondContact O-N 2.91Å; G292-Y294 PolarHBondContact O-N 2.93Å; G292-Y294 VanDerWaalsContact O-N 3.15Å
295T86.5Confident81.2Confident3 Ų323.8 Ų23.82%0.01812%0.117CC..SBendtrans-67.9160.917561.60000111D220 A269 R290 G292 K297 G298 E299D220-T295 WeakPolarHBondContact OD2-CA 3.47Å; A269-T295 HydrophobicContact CB-CG2 3.96Å; R290-T295 HydrophobicContact CB-CG2 4.3Å; R290-T295 WeakPolarHBondContact O-CG2 3.46Å; G292-T295 PolarHBondContact O-N 3.35Å; G292-T295 PolarHBondContact O-OG1 3.2Å; T295-K297 VanDerWaalsContact C-N 3.26Å; T295-K297 PolarHBondContact O-N 3.45Å; T295-G298 WeakPolarHBondContact O-CA 3.39Å; T295-G298 PolarHBondContact O-N 2.8Å; T295-G298 PolarHBondContact OG1-N 3.21Å; T295-E299 PolarHBondContact O-N 2.89Å
296V76.2Confident80Confident49 Ų4926 Ų2630%0.29713%0.125SC..Hα-helixtrans-55.7-43.4173.5-176.40000111.1D220 L235 F268 G298 E299 L300D220-V296 PolarHBondContact OD2-N 3.18Å; L235-V296 HydrophobicContact CD2-CB 4.29Å; L235-V296 HydrophobicContact CD2-CG1 3.9Å; F268-V296 HydrophobicContact CD1-CB 4.42Å; F268-V296 HydrophobicContact CD1-CG2 3.55Å; F268-V296 HydrophobicContact CE1-CG2 3.87Å; F268-V296 HydrophobicContact CG-CG2 4.47Å; V296-G298 PolarHBondContact O-N 2.75Å; V296-E299 PolarHBondContact O-N 3.39Å; V296-L300 PolarHBondContact O-N 3.29Å
297K77.1Confident78.4Confident32 Ų3229.9 Ų29.914%0.13915%0.151CC..Hα-helixtrans-60.4-42.4172.2-179.2-179.1179.9-177.90112.7I108 A269 T295 E299 L300 V301I108-K297 HydrophobicContact CD1-CG 4.38Å; A269-K297 HydrophobicContact CB-CB 4.04Å; A269-K297 WeakPolarHBondContact O-CB 3.25Å; T295-K297 VanDerWaalsContact C-N 3.26Å; T295-K297 PolarHBondContact O-N 3.45Å; K297-E299 PolarHBondContact O-N 2.88Å; K297-L300 WeakPolarHBondContact O-CB 3.49Å; K297-L300 PolarHBondContact O-N 3.49Å; K297-V301 PolarHBondContact O-N 2.83Å
298G79.9Confident76.7Confident0 Ų033 Ų330%016%0.164CC..Hα-helixtrans-62-40177.800000113.1T295 V296 L300 V301 R302T295-G298 WeakPolarHBondContact O-CA 3.39Å; T295-G298 PolarHBondContact O-N 2.8Å; T295-G298 PolarHBondContact OG1-N 3.21Å; V296-G298 PolarHBondContact O-N 2.75Å; G298-L300 VanDerWaalsContact C-N 3.34Å; G298-V301 PolarHBondContact O-N 3.45Å; G298-R302 VanDerWaalsContact O-CG 3.3Å; G298-R302 WeakPolarHBondContact O-CG 3.43Å; G298-R302 PolarHBondContact O-N 2.86Å
299E73.2Confident75Confident97 Ų9735.8 Ų35.845%0.45318%0.183SC..Hα-helixtrans-62.9-40.3173.9-70.6-177-176.800112.1R290 T295 V296 K297 R302 S303R290-E299 IonicContact NH1-OE1 3.19Å; T295-E299 PolarHBondContact O-N 2.89Å; V296-E299 PolarHBondContact O-N 3.39Å; K297-E299 PolarHBondContact O-N 2.88Å; E299-R302 PolarHBondContact O-N 3.28Å; E299-S303 PolarHBondContact O-N 2.97Å; E299-S303 VanDerWaalsContact O-N 3.13Å
300L66.6Low73.5Confident27 Ų2739 Ų3914%0.14120%0.199CC..Hα-helixtrans-60-50173.4-17176.7000110.8V296 K297 G298 R302 S303 I304 E987 V990 A991V296-L300 PolarHBondContact O-N 3.29Å; K297-L300 WeakPolarHBondContact O-CB 3.49Å; K297-L300 PolarHBondContact O-N 3.49Å; G298-L300 VanDerWaalsContact C-N 3.34Å; L300-R302 VanDerWaalsContact C-N 3.35Å; L300-R302 PolarHBondContact O-N 2.8Å; L300-S303 VanDerWaalsContact O-CB 3.32Å; L300-S303 WeakPolarHBondContact O-CB 3.44Å; L300-S303 PolarHBondContact O-N 2.98Å; L300-S303 PolarHBondContact O-OG 3.4Å; L300-I304 PolarHBondContact O-N 2.93Å; L300-E987 HydrophobicContact CD2-CB 4Å; L300-E987 HydrophobicContact CD2-CG 4.19Å; L300-E987 WeakPolarHBondContact CD2-OE2 3.37Å; L300-V990 HydrophobicContact CD1-CB 4.08Å; L300-V990 HydrophobicContact CD1-CG1 4.12Å; L300-V990 HydrophobicContact CD2-CB 3.78Å; L300-V990 HydrophobicContact CD2-CG1 3.65Å; L300-V990 HydrophobicContact CD2-CG2 4.1Å; L300-V990 HydrophobicContact CG-CB 4Å; L300-V990 HydrophobicContact CG-CG1 3.61Å; L300-A991 HydrophobicContact CD1-CB 4.07Å
301V71.7Confident71.8Confident6 Ų645.5 Ų45.54%0.03623%0.228CC..Hα-helixtrans-61.8-40.8178.7174.70000112.3I108 I110 M176 F293 K297 G298 S303 I304 L305I108-V301 HydrophobicContact CD1-CG2 4.06Å; I108-V301 HydrophobicContact CG2-CB 4.17Å; I108-V301 HydrophobicContact CG2-CG1 3.64Å; I108-V301 HydrophobicContact CG2-CG2 4.36Å; I110-V301 HydrophobicContact CD1-CG1 4.39Å; M176-V301 HydrophobicContact CG-CG2 4.43Å; M176-V301 HydrophobicContact SD-CB 4.3Å; M176-V301 HydrophobicContact SD-CG1 3.52Å; M176-V301 VanDerWaalsContact SD-CG1 3.52Å; M176-V301 HydrophobicContact SD-CG2 3.87Å; F293-V301 HydrophobicContact CE1-CG1 4.42Å; K297-V301 PolarHBondContact O-N 2.83Å; G298-V301 PolarHBondContact O-N 3.45Å; V301-S303 PolarHBondContact O-N 2.92Å; V301-I304 WeakPolarHBondContact O-CB 3.19Å; V301-I304 PolarHBondContact O-N 3.19Å; V301-L305 HydrophobicContact CG1-CD1 3.96Å; V301-L305 HydrophobicContact CG1-CG 4.24Å; V301-L305 PolarHBondContact O-N 2.82Å
302R76.6Confident70.2Confident43 Ų4347 Ų4716%0.16224%0.235CC..Hα-helixtrans-60.7-31.4175.8-73.1170.365.6-134.1-5.8112.5K58 C59 L60 F293 G298 E299 L300 I304 L305 F306K58-R302 VanDerWaalsContact O-CZ 3.29Å; K58-R302 PolarHBondContact O-NE 3Å; K58-R302 PolarHBondContact O-NH2 2.93Å; C59-R302 HydrophobicContact CB-CG 4.35Å; L60-R302 VanDerWaalsContact CG-NH1 3.33Å; F293-R302 HydrophobicContact CD1-CG 3.41Å; F293-R302 VanDerWaalsContact CD1-CG 3.41Å; F293-R302 HydrophobicContact CE1-CG 3.87Å; F293-R302 HydrophobicContact CG-CG 4.3Å; G298-R302 VanDerWaalsContact O-CG 3.3Å; G298-R302 WeakPolarHBondContact O-CG 3.43Å; G298-R302 PolarHBondContact O-N 2.86Å; E299-R302 PolarHBondContact O-N 3.28Å; L300-R302 VanDerWaalsContact C-N 3.35Å; L300-R302 PolarHBondContact O-N 2.8Å; R302-I304 VanDerWaalsContact C-N 3.27Å; R302-I304 PolarHBondContact O-N 3.41Å; R302-L305 PolarHBondContact O-N 3.36Å; R302-F306 HydrophobicContact CB-CD2 4.42Å; R302-F306 WeakPolarHBondContact O-CB 3.25Å; R302-F306 WeakPolarHBondContact O-CD2 3.38Å; R302-F306 PolarHBondContact O-N 3.45Å
303S59.5Low68.9Low15 Ų1552.3 Ų52.311%0.10526%0.257CS..Hα-helixtrans-67.7-29.6176.782.30000113E299 L300 V301E299-S303 PolarHBondContact O-N 2.97Å; E299-S303 VanDerWaalsContact O-N 3.13Å; L300-S303 VanDerWaalsContact O-CB 3.32Å; L300-S303 WeakPolarHBondContact O-CB 3.44Å; L300-S303 PolarHBondContact O-N 2.98Å; L300-S303 PolarHBondContact O-OG 3.4Å; V301-S303 PolarHBondContact O-N 2.92Å
304I64Low67.8Low43 Ų4351.8 Ų51.822%0.22125%0.254CS..Hα-helixtrans-75.5-44.5174-51.5160.8000110.3L172 M176 L300 V301 R302 V990L172-I304 HydrophobicContact CD1-CG2 4.24Å; M176-I304 HydrophobicContact CE-CD1 3.23Å; M176-I304 HydrophobicContact SD-CD1 4.39Å; L300-I304 PolarHBondContact O-N 2.93Å; V301-I304 WeakPolarHBondContact O-CB 3.19Å; V301-I304 PolarHBondContact O-N 3.19Å; R302-I304 VanDerWaalsContact C-N 3.27Å; R302-I304 PolarHBondContact O-N 3.41Å; I304-V990 HydrophobicContact CD1-CG1 3.13Å; I304-V990 HydrophobicContact CG1-CG1 3.59Å
305L67.3Low66.8Low56 Ų5653.9 Ų53.929%0.29327%0.271SS..Hα-helixtrans-69.8-31.7-178.4-67.6175000112.8I110 L172 F293 V301 R302 P307I110-L305 HydrophobicContact CD1-CD2 4.33Å; I110-L305 HydrophobicContact CG1-CD1 4.39Å; I110-L305 HydrophobicContact CG2-CD2 4.33Å; L172-L305 HydrophobicContact CD2-CD2 4.36Å; F293-L305 HydrophobicContact CE1-CD1 4.16Å; F293-L305 HydrophobicContact CZ-CD1 4.39Å; V301-L305 HydrophobicContact CG1-CD1 3.96Å; V301-L305 HydrophobicContact CG1-CG 4.24Å; V301-L305 PolarHBondContact O-N 2.82Å; R302-L305 PolarHBondContact O-N 3.36Å; L305-P307 VanDerWaalsContact C-CD 3.49Å; L305-P307 WeakPolarHBondContact O-CD 3.1Å
306F68.4Low65.9Low81 Ų8158.4 Ų58.436%0.35529%0.291SS..SBendtrans-127.868.1-176.5-52.1-71000111K58 R302K58-F306 HydrophobicContact CB-CD1 4.46Å; K58-F306 HydrophobicContact CB-CD2 3.77Å; K58-F306 HydrophobicContact CB-CE2 3.89Å; K58-F306 HydrophobicContact CB-CG 4.08Å; K58-F306 HydrophobicContact CB-CZ 4.28Å; K58-F306 HydrophobicContact CD-CB 4.13Å; K58-F306 HydrophobicContact CD-CG 4.18Å; K58-F306 HydrophobicContact CG-CB 4.41Å; K58-F306 HydrophobicContact CG-CD1 4Å; K58-F306 HydrophobicContact CG-CD2 4.15Å; K58-F306 HydrophobicContact CG-CE1 4.31Å; K58-F306 HydrophobicContact CG-CE2 4.45Å; K58-F306 HydrophobicContact CG-CG 3.91Å; R302-F306 HydrophobicContact CB-CD2 4.42Å; R302-F306 WeakPolarHBondContact O-CB 3.25Å; R302-F306 WeakPolarHBondContact O-CD2 3.38Å; R302-F306 PolarHBondContact O-N 3.45Å
307P60.3Low65.6Low83 Ų8356.6 Ų56.654%0.53928%0.28SS..  trans-65.3155.7-179.629-35000111.2L305L305-P307 VanDerWaalsContact C-CD 3.49Å; L305-P307 WeakPolarHBondContact O-CD 3.1Å
308K57.6Low65.2Low65 Ų6555.8 Ų55.828%0.28328%0.278SS..  trans-63.2127.3174.2-178.2173.6178.8179.80109.1Y12 L310Y12-K308 HydrophobicContact CD1-CD 4.13Å; Y12-K308 HydrophobicContact CD1-CG 3.95Å; Y12-K308 HydrophobicContact CD2-CG 4.47Å; Y12-K308 HydrophobicContact CE1-CB 4.46Å; Y12-K308 HydrophobicContact CE1-CD 3.53Å; Y12-K308 HydrophobicContact CE1-CG 3.62Å; Y12-K308 HydrophobicContact CE2-CB 4.35Å; Y12-K308 HydrophobicContact CE2-CG 4.16Å; Y12-K308 HydrophobicContact CG-CG 4.36Å; K308-L310 PolarHBondContact O-N 3.36Å; K308-L310 VanDerWaalsContact O-N 3.08Å
309P59Low64.9Low59 Ų5962.4 Ų62.438%0.38331%0.307SS..  trans-65.4114.9179.125.6-32.9000109.8V14 K311V14-P309 HydrophobicContact CG2-CG 4.22Å; P309-K311 PolarHBondContact O-N 3.23Å
310L58.3Low65.1Low68 Ų6864.3 Ų64.336%0.35631%0.31SS..  trans-78.1103.9171.7-72.8160.6000108.3K308 F312 V393K308-L310 PolarHBondContact O-N 3.36Å; K308-L310 VanDerWaalsContact O-N 3.08Å; L310-F312 PolarHBondContact O-N 2.91Å; L310-V393 HydrophobicContact CD1-CG2 3.53Å
311K53Low65.4Low168 Ų16863.8 Ų63.873%0.7331%0.307SS*.  trans-70.978.1175.3-67.6-175.2-178175.10110P309 K313P309-K311 PolarHBondContact O-N 3.23Å; K311-K313 PolarHBondContact O-N 2.86Å
312F59Low65.5Low35 Ų3565.4 Ų65.415%0.15432%0.315CS..  trans-77.4105.8-179.9-164-131.5000110L310 F314 T315 N395 V396 L1015 M1082L310-F312 PolarHBondContact O-N 2.91Å; F312-F314 HydrophobicContact CD1-CB 3.45Å; F312-F314 VanDerWaalsContact CD1-CB 3.45Å; F312-F314 HydrophobicContact CD1-CD1 4.5Å; F312-F314 HydrophobicContact CD1-CG 4.32Å; F312-F314 HydrophobicContact CE1-CB 3.12Å; F312-F314 AromaticContact CE1-CD1 3.96Å; F312-F314 HydrophobicContact CE1-CD1 3.96Å; F312-F314 AromaticContact CE1-CG 3.66Å; F312-F314 HydrophobicContact CE1-CG 3.66Å; F312-F314 HydrophobicContact CE2-CB 4.26Å; F312-F314 HydrophobicContact CG-CB 4.14Å; F312-F314 HydrophobicContact CZ-CB 3.55Å; F312-F314 HydrophobicContact CZ-CG 4.15Å; F312-F314 PolarHBondContact O-N 3.13Å; F312-F314 VanDerWaalsContact O-N 3.07Å; F312-T315 HydrophobicContact CD1-CG2 4.49Å; F312-T315 PolarHBondContact O-N 3.22Å; F312-T315 PolarHBondContact O-OG1 3.3Å; F312-T315 VanDerWaalsContact O-OG1 3.12Å; F312-N395 HydrophobicContact CE1-CB 4.36Å; F312-N395 HydrophobicContact CE2-CB 4.32Å; F312-N395 HydrophobicContact CZ-CB 3.75Å; F312-V396 HydrophobicContact CD2-CG2 4.1Å; F312-V396 HydrophobicContact CE2-CG2 4.19Å; F312-L1015 HydrophobicContact CZ-CD1 4.07Å; F312-M1082 HydrophobicContact CD2-CE 3.81Å; F312-M1082 HydrophobicContact CE2-CE 3.46Å; F312-M1082 VanDerWaalsContact CE2-CE 3.46Å
313K59.5Low65.6Low116 Ų11670 Ų7050%0.50434%0.336SS..Hα-helixtrans-58.4-22.5-179.6-69.3-176.3178.2177.80113.5K311 Q316 D317K311-K313 PolarHBondContact O-N 2.86Å; K313-Q316 PolarHBondContact O-N 3.23Å; K313-D317 WeakPolarHBondContact O-CB 3.43Å; K313-D317 PolarHBondContact O-N 3.02Å
314F63.6Low66.4Low10 Ų1071.8 Ų71.84%0.04435%0.352CS..Hα-helixtrans-61.2-46.5-179.4-177.6-86.9000112.8F312 Q316 D317 S318 M370 F1019 F1022 L1084F312-F314 HydrophobicContact CD1-CB 3.45Å; F312-F314 VanDerWaalsContact CD1-CB 3.45Å; F312-F314 HydrophobicContact CD1-CD1 4.5Å; F312-F314 HydrophobicContact CD1-CG 4.32Å; F312-F314 HydrophobicContact CE1-CB 3.12Å; F312-F314 AromaticContact CE1-CD1 3.96Å; F312-F314 HydrophobicContact CE1-CD1 3.96Å; F312-F314 AromaticContact CE1-CG 3.66Å; F312-F314 HydrophobicContact CE1-CG 3.66Å; F312-F314 HydrophobicContact CE2-CB 4.26Å; F312-F314 HydrophobicContact CG-CB 4.14Å; F312-F314 HydrophobicContact CZ-CB 3.55Å; F312-F314 HydrophobicContact CZ-CG 4.15Å; F312-F314 PolarHBondContact O-N 3.13Å; F312-F314 VanDerWaalsContact O-N 3.07Å; F314-Q316 VanDerWaalsContact C-N 3.34Å; F314-Q316 PolarHBondContact O-N 3.13Å; F314-D317 CarbonylContact O-C 3.53Å; F314-D317 PolarHBondContact O-N 2.78Å; F314-S318 WeakPolarHBondContact CE1-OG 3.16Å; F314-S318 WeakPolarHBondContact O-CB 3.32Å; F314-S318 PolarHBondContact O-N 3.34Å; F314-S318 PolarHBondContact O-OG 3.49Å; F314-M370 HydrophobicContact CD1-CE 4.48Å; F314-M370 HydrophobicContact CE1-CE 3.29Å; F314-M370 HydrophobicContact CE1-SD 4.36Å; F314-M370 HydrophobicContact CZ-CE 3.37Å; F314-M370 HydrophobicContact CZ-SD 4.22Å; F314-F1019 HydrophobicContact CD2-CD2 4.21Å; F314-F1019 AromaticContact CD2-CE2 3.57Å; F314-F1019 HydrophobicContact CD2-CE2 3.57Å; F314-F1019 AromaticContact CD2-CZ 3.86Å; F314-F1019 HydrophobicContact CD2-CZ 3.86Å; F314-F1019 AromaticContact CE2-CD2 3.76Å; F314-F1019 HydrophobicContact CE2-CD2 3.76Å; F314-F1019 AromaticContact CE2-CE2 3.59Å; F314-F1019 HydrophobicContact CE2-CE2 3.59Å; F314-F1019 HydrophobicContact CE2-CG 4.32Å; F314-F1019 AromaticContact CE2-CZ 3.99Å; F314-F1019 HydrophobicContact CE2-CZ 3.99Å; F314-F1022 HydrophobicContact CZ-CB 4.46Å; F314-L1084 HydrophobicContact CD2-CB 4.49Å; F314-L1084 HydrophobicContact CD2-CD1 4.4Å; F314-L1084 HydrophobicContact CE2-CB 4.46Å; F314-L1084 HydrophobicContact CE2-CD1 3.6Å; F314-L1084 HydrophobicContact CE2-CD2 4.49Å; F314-L1084 HydrophobicContact CE2-CG 4.41Å; F314-L1084 HydrophobicContact CZ-CD1 4.07Å
315T64.8Low67Low76 Ų7670.4 Ų70.447%0.46635%0.345SS..Hα-helixtrans-65.3-42.8-179.349.90000110.5F312 D317 S318 F319F312-T315 HydrophobicContact CD1-CG2 4.49Å; F312-T315 PolarHBondContact O-N 3.22Å; F312-T315 PolarHBondContact O-OG1 3.3Å; F312-T315 VanDerWaalsContact O-OG1 3.12Å; T315-D317 PolarHBondContact O-N 3.26Å; T315-S318 WeakPolarHBondContact O-CB 3.36Å; T315-S318 PolarHBondContact O-N 3.43Å; T315-F319 WeakPolarHBondContact O-CD2 2.91Å; T315-F319 PolarHBondContact O-N 2.96Å
316Q68.4Low67.4Low97 Ų9769.8 Ų69.845%0.45335%0.346SS..Hα-helixtrans-61.3-42.7173.9-170.7179.62800112.3K313 F314 F319 R320K313-Q316 PolarHBondContact O-N 3.23Å; F314-Q316 VanDerWaalsContact C-N 3.34Å; F314-Q316 PolarHBondContact O-N 3.13Å; Q316-F319 PolarHBondContact O-N 3.44Å; Q316-R320 WeakPolarHBondContact O-CG 3.35Å; Q316-R320 PolarHBondContact O-N 2.98Å
317D69.8Low68Low11 Ų1170.2 Ų70.26%0.05935%0.35CS..Hα-helixtrans-67.8-35.8176.9-76.3-10.1000111.3K313 F314 T315 R320 F321 L1084 V1085K313-D317 WeakPolarHBondContact O-CB 3.43Å; K313-D317 PolarHBondContact O-N 3.02Å; F314-D317 CarbonylContact O-C 3.53Å; F314-D317 PolarHBondContact O-N 2.78Å; T315-D317 PolarHBondContact O-N 3.26Å; D317-R320 PolarHBondContact O-N 3.49Å; D317-R320 IonicContact OD1-NH1 3.41Å; D317-R320 PolarHBondContact OD1-NH1 3.27Å; D317-F321 WeakPolarHBondContact O-CB 3.4Å; D317-F321 PolarHBondContact O-N 2.77Å; D317-L1084 HydrophobicContact CB-CB 4.02Å; D317-V1085 HydrophobicContact CB-CG2 4.2Å
318S68.9Low68.8Low15 Ų1569.8 Ų69.811%0.10534%0.343CS..Hα-helixtrans-61.9-44.7171.5-63.70000111.1F314 T315 F321 I322 L1084F314-S318 WeakPolarHBondContact CE1-OG 3.16Å; F314-S318 WeakPolarHBondContact O-CB 3.32Å; F314-S318 PolarHBondContact O-N 3.34Å; F314-S318 PolarHBondContact O-OG 3.49Å; T315-S318 WeakPolarHBondContact O-CB 3.36Å; T315-S318 PolarHBondContact O-N 3.43Å; S318-F321 WeakPolarHBondContact O-CB 3.49Å; S318-F321 PolarHBondContact O-N 2.93Å; S318-I322 VanDerWaalsContact O-CG1 3.25Å; S318-I322 WeakPolarHBondContact O-CG1 3.33Å; S318-I322 PolarHBondContact O-N 2.84Å; S318-L1084 WeakPolarHBondContact OG-CD2 3.5Å
319F72.9Confident69.7Low139 Ų13966.8 Ų66.861%0.6133%0.331SS*.Hα-helixtrans-63.4-43.9175.1-76.9-64.2000112.5T315 Q316 F321 I322 F323T315-F319 WeakPolarHBondContact O-CD2 2.91Å; T315-F319 PolarHBondContact O-N 2.96Å; Q316-F319 PolarHBondContact O-N 3.44Å; F319-F321 PolarHBondContact O-N 3.18Å; F319-I322 PolarHBondContact O-N 2.64Å; F319-F323 WeakPolarHBondContact O-CB 3.48Å; F319-F323 PolarHBondContact O-N 3.46Å
320R77.1Confident70.8Confident137 Ų13768.2 Ų68.252%0.51734%0.338SS..Hα-helixtrans-60.5-37.5173.8-72.8171.8176.8157.5-2.9112Q316 D317 F323 A324Q316-R320 WeakPolarHBondContact O-CG 3.35Å; Q316-R320 PolarHBondContact O-N 2.98Å; D317-R320 PolarHBondContact O-N 3.49Å; D317-R320 IonicContact OD1-NH1 3.41Å; D317-R320 PolarHBondContact OD1-NH1 3.27Å; R320-F323 WeakPolarHBondContact O-CB 3.16Å; R320-F323 PolarHBondContact O-N 2.88Å; R320-A324 PolarHBondContact O-N 3.3Å
321F73.1Confident72Confident17 Ų1770 Ų708%0.07535%0.347CS..Hα-helixtrans-69.7-44.3178.1-171.7-83000111.6D317 S318 F319 F323 A324 L325 F1022 V1026 L1084 L1090 L1093D317-F321 WeakPolarHBondContact O-CB 3.4Å; D317-F321 PolarHBondContact O-N 2.77Å; S318-F321 WeakPolarHBondContact O-CB 3.49Å; S318-F321 PolarHBondContact O-N 2.93Å; F319-F321 PolarHBondContact O-N 3.18Å; F321-F323 VanDerWaalsContact C-N 3.26Å; F321-F323 PolarHBondContact O-N 3.3Å; F321-A324 WeakPolarHBondContact O-CB 3.2Å; F321-A324 PolarHBondContact O-N 3.39Å; F321-A324 VanDerWaalsContact O-N 3.13Å; F321-L325 HydrophobicContact CD1-CD1 3.95Å; F321-L325 HydrophobicContact CD1-CG 4Å; F321-L325 HydrophobicContact CE1-CD1 3.56Å; F321-L325 HydrophobicContact CE1-CD2 3.85Å; F321-L325 HydrophobicContact CE1-CG 3.53Å; F321-L325 HydrophobicContact CZ-CD2 4.14Å; F321-L325 HydrophobicContact CZ-CG 4.24Å; F321-L325 PolarHBondContact O-N 2.86Å; F321-F1022 HydrophobicContact CB-CZ 4.08Å; F321-F1022 AromaticContact CD1-CE1 3.54Å; F321-F1022 HydrophobicContact CD1-CE1 3.54Å; F321-F1022 AromaticContact CD1-CZ 3.36Å; F321-F1022 HydrophobicContact CD1-CZ 3.36Å; F321-F1022 HydrophobicContact CD2-CE1 4.49Å; F321-F1022 AromaticContact CE1-CE1 3.86Å; F321-F1022 HydrophobicContact CE1-CE1 3.86Å; F321-F1022 HydrophobicContact CE1-CZ 4.05Å; F321-F1022 AromaticContact CG-CE1 3.89Å; F321-F1022 HydrophobicContact CG-CE1 3.89Å; F321-F1022 AromaticContact CG-CZ 3.82Å; F321-F1022 HydrophobicContact CG-CZ 3.82Å; F321-F1022 HydrophobicContact CZ-CE1 4.48Å; F321-V1026 HydrophobicContact CD1-CG2 3.95Å; F321-V1026 HydrophobicContact CE1-CB 4.03Å; F321-V1026 HydrophobicContact CE1-CG1 3.47Å; F321-V1026 VanDerWaalsContact CE1-CG1 3.47Å; F321-V1026 HydrophobicContact CE1-CG2 3.41Å; F321-V1026 VanDerWaalsContact CE1-CG2 3.41Å; F321-V1026 HydrophobicContact CZ-CG1 3.78Å; F321-V1026 HydrophobicContact CZ-CG2 4.32Å; F321-L1084 HydrophobicContact CB-CD2 4.47Å; F321-L1090 HydrophobicContact CD2-CD2 4.09Å; F321-L1090 HydrophobicContact CE2-CD2 3.63Å; F321-L1093 HydrophobicContact CE1-CD2 4.31Å; F321-L1093 HydrophobicContact CE2-CD2 4.1Å; F321-L1093 HydrophobicContact CZ-CD2 3.41Å; F321-L1093 VanDerWaalsContact CZ-CD2 3.41Å
322I74.8Confident73.1Confident39 Ų3962.4 Ų62.420%0.232%0.316CS..Hα-helixtrans-57.8-41.1172.1-69.1164.4000110.4S318 F319 L325 S326 V362 L366S318-I322 VanDerWaalsContact O-CG1 3.25Å; S318-I322 WeakPolarHBondContact O-CG1 3.33Å; S318-I322 PolarHBondContact O-N 2.84Å; F319-I322 PolarHBondContact O-N 2.64Å; I322-L325 WeakPolarHBondContact O-CB 3.49Å; I322-L325 PolarHBondContact O-N 3.23Å; I322-S326 PolarHBondContact O-N 3.03Å; I322-S326 PolarHBondContact O-OG 3.46Å; I322-V362 HydrophobicContact CG2-CG2 4.19Å; I322-L366 HydrophobicContact CD1-CD2 4.12Å
323F78.2Confident74.1Confident140 Ų14062 Ų6261%0.61432%0.316SS*.Hα-helixtrans-62.3-44.1174.4-178.5-99.7000112.3F319 R320 F321 L325 S326 I327F319-F323 WeakPolarHBondContact O-CB 3.48Å; F319-F323 PolarHBondContact O-N 3.46Å; R320-F323 WeakPolarHBondContact O-CB 3.16Å; R320-F323 PolarHBondContact O-N 2.88Å; F321-F323 VanDerWaalsContact C-N 3.26Å; F321-F323 PolarHBondContact O-N 3.3Å; F323-L325 PolarHBondContact O-N 3.41Å; F323-S326 VanDerWaalsContact O-CB 3.32Å; F323-S326 WeakPolarHBondContact O-CB 3.18Å; F323-S326 PolarHBondContact O-N 2.79Å; F323-S326 VanDerWaalsContact O-N 3.1Å; F323-I327 HydrophobicContact CD1-CD1 4.21Å; F323-I327 HydrophobicContact CE1-CD1 3.77Å; F323-I327 HydrophobicContact CE1-CG1 4.39Å; F323-I327 HydrophobicContact CZ-CD1 4.38Å; F323-I327 PolarHBondContact O-N 2.93Å; F323-I327 VanDerWaalsContact O-N 3.1Å
324A76.7Confident75.2Confident53 Ų5358.4 Ų58.444%0.43831%0.311SS..Hα-helixtrans-62.9-39.6175.500000112.6R320 F321 S326 I327 L328R320-A324 PolarHBondContact O-N 3.3Å; F321-A324 WeakPolarHBondContact O-CB 3.2Å; F321-A324 PolarHBondContact O-N 3.39Å; F321-A324 VanDerWaalsContact O-N 3.13Å; A324-S326 VanDerWaalsContact C-N 3.3Å; A324-S326 PolarHBondContact O-N 3.47Å; A324-I327 PolarHBondContact O-N 2.97Å; A324-L328 PolarHBondContact O-N 2.98Å
325L76.5Confident76Confident14 Ų1461.5 Ų61.57%0.07333%0.331CS..Hα-helixtrans-62.7-37.7171.3-70.8178.8000111.9F321 I322 F323 I327 L328 A329 V361 V1026 M1030F321-L325 HydrophobicContact CD1-CD1 3.95Å; F321-L325 HydrophobicContact CD1-CG 4Å; F321-L325 HydrophobicContact CE1-CD1 3.56Å; F321-L325 HydrophobicContact CE1-CD2 3.85Å; F321-L325 HydrophobicContact CE1-CG 3.53Å; F321-L325 HydrophobicContact CZ-CD2 4.14Å; F321-L325 HydrophobicContact CZ-CG 4.24Å; F321-L325 PolarHBondContact O-N 2.86Å; I322-L325 WeakPolarHBondContact O-CB 3.49Å; I322-L325 PolarHBondContact O-N 3.23Å; F323-L325 PolarHBondContact O-N 3.41Å; L325-I327 VanDerWaalsContact C-N 3.29Å; L325-I327 PolarHBondContact O-N 3.27Å; L325-L328 WeakPolarHBondContact O-CB 3.49Å; L325-L328 PolarHBondContact O-N 3.3Å; L325-L328 VanDerWaalsContact O-N 3.12Å; L325-A329 PolarHBondContact O-N 2.67Å; L325-V361 HydrophobicContact CB-CG1 3.65Å; L325-V361 HydrophobicContact CD1-CG1 4.22Å; L325-V1026 HydrophobicContact CD1-CG1 3.98Å; L325-V1026 HydrophobicContact CD1-CG2 4.12Å; L325-V1026 HydrophobicContact CD2-CG1 4.02Å; L325-M1030 HydrophobicContact CD2-CG 4.06Å; L325-M1030 HydrophobicContact CD2-SD 3.8Å
326S75.5Confident76.5Confident43 Ų4358.1 Ų58.130%0.30131%0.31SS..Hα-helixtrans-63-36177.8-55.10000111.4I322 F323 A324 A329 V330I322-S326 PolarHBondContact O-N 3.03Å; I322-S326 PolarHBondContact O-OG 3.46Å; F323-S326 VanDerWaalsContact O-CB 3.32Å; F323-S326 WeakPolarHBondContact O-CB 3.18Å; F323-S326 PolarHBondContact O-N 2.79Å; F323-S326 VanDerWaalsContact O-N 3.1Å; A324-S326 VanDerWaalsContact C-N 3.3Å; A324-S326 PolarHBondContact O-N 3.47Å; S326-A329 VanDerWaalsContact O-CB 3.29Å; S326-A329 WeakPolarHBondContact O-CB 3.4Å; S326-A329 PolarHBondContact O-N 2.88Å; S326-V330 VanDerWaalsContact O-CG2 3.28Å; S326-V330 WeakPolarHBondContact O-CG2 3.44Å; S326-V330 PolarHBondContact O-N 2.78Å
327I81.3Confident77.2Confident89 Ų8956.1 Ų56.146%0.45630%0.302SS..Hα-helixtrans-62.8-44.7172.7-63.8170.7000110.7F323 A324 L325 A329 V330 I331F323-I327 HydrophobicContact CD1-CD1 4.21Å; F323-I327 HydrophobicContact CE1-CD1 3.77Å; F323-I327 HydrophobicContact CE1-CG1 4.39Å; F323-I327 HydrophobicContact CZ-CD1 4.38Å; F323-I327 PolarHBondContact O-N 2.93Å; F323-I327 VanDerWaalsContact O-N 3.1Å; A324-I327 PolarHBondContact O-N 2.97Å; L325-I327 VanDerWaalsContact C-N 3.29Å; L325-I327 PolarHBondContact O-N 3.27Å; I327-A329 VanDerWaalsContact C-N 3.27Å; I327-A329 PolarHBondContact O-N 2.79Å; I327-V330 PolarHBondContact O-N 2.88Å; I327-I331 HydrophobicContact CG2-CD1 4.28Å; I327-I331 WeakPolarHBondContact O-CG1 3.43Å; I327-I331 PolarHBondContact O-N 2.98Å
328L76.1Confident77.8Confident75 Ų7561.4 Ų61.439%0.39332%0.322SS..Hα-helixtrans-62.9-37.7176.2-174.860.3000111.5A324 L325 I331 G332 M1030A324-L328 PolarHBondContact O-N 2.98Å; L325-L328 WeakPolarHBondContact O-CB 3.49Å; L325-L328 PolarHBondContact O-N 3.3Å; L325-L328 VanDerWaalsContact O-N 3.12Å; L328-I331 PolarHBondContact O-N 2.94Å; L328-G332 PolarHBondContact O-N 3.45Å; L328-M1030 HydrophobicContact CD2-CE 3.29Å; L328-M1030 HydrophobicContact CD2-SD 3.97Å; L328-M1030 HydrophobicContact CG-CE 4.18Å
329A76.8Confident78.2Confident2 Ų263.6 Ų63.62%0.01733%0.332CS..Hα-helixtrans-59.8-46.4173.100000111.6L325 S326 I327 I331 G332 L333 V361 F1033L325-A329 PolarHBondContact O-N 2.67Å; S326-A329 VanDerWaalsContact O-CB 3.29Å; S326-A329 WeakPolarHBondContact O-CB 3.4Å; S326-A329 PolarHBondContact O-N 2.88Å; I327-A329 VanDerWaalsContact C-N 3.27Å; I327-A329 PolarHBondContact O-N 2.79Å; A329-I331 VanDerWaalsContact C-N 3.31Å; A329-I331 PolarHBondContact O-N 3.19Å; A329-G332 PolarHBondContact O-N 3.26Å; A329-L333 WeakPolarHBondContact O-CB 3.27Å; A329-L333 PolarHBondContact O-N 3.48Å; A329-V361 HydrophobicContact CB-CB 4.39Å; A329-V361 HydrophobicContact CB-CG2 3.67Å; A329-F1033 HydrophobicContact CB-CE2 4.28Å
330V82.4Confident78.4Confident89 Ų8957.9 Ų57.954%0.53931%0.308SS..Hα-helixtrans-63.4-35.7177.7170.10000111.8S326 I327 L333 G334S326-V330 VanDerWaalsContact O-CG2 3.28Å; S326-V330 WeakPolarHBondContact O-CG2 3.44Å; S326-V330 PolarHBondContact O-N 2.78Å; I327-V330 PolarHBondContact O-N 2.88Å; V330-L333 WeakPolarHBondContact O-CB 3.37Å; V330-L333 PolarHBondContact O-N 2.77Å; V330-G334 PolarHBondContact O-N 2.67Å
331I82.7Confident78.6Confident105 Ų10556.6 Ų56.654%0.53831%0.31SS..Hα-helixtrans-66.8-49.4174.3-66.2166.6000110.5I327 L328 A329 L333 G334 V335I327-I331 HydrophobicContact CG2-CD1 4.28Å; I327-I331 WeakPolarHBondContact O-CG1 3.43Å; I327-I331 PolarHBondContact O-N 2.98Å; L328-I331 PolarHBondContact O-N 2.94Å; A329-I331 VanDerWaalsContact C-N 3.31Å; A329-I331 PolarHBondContact O-N 3.19Å; I331-L333 PolarHBondContact O-N 2.81Å; I331-G334 PolarHBondContact O-N 3.23Å; I331-G334 VanDerWaalsContact O-N 3.15Å; I331-V335 PolarHBondContact O-N 2.96Å; I331-V335 VanDerWaalsContact O-N 3.08Å
332G76.1Confident79Confident8 Ų864.7 Ų64.78%0.08234%0.34CS..Hα-helixtrans-60.4-37176.300000112L328 A329 V335 S336L328-G332 PolarHBondContact O-N 3.45Å; A329-G332 PolarHBondContact O-N 3.26Å; G332-V335 PolarHBondContact O-N 3.28Å; G332-S336 PolarHBondContact O-N 3.27Å; G332-S336 PolarHBondContact O-OG 3.47Å; G332-S336 VanDerWaalsContact O-OG 3.11Å
333L80.1Confident79Confident28 Ų2866.1 Ų66.115%0.14736%0.358CS..Hα-helixtrans-60.3-48.2172.7172.559.5000112A329 V330 I331 V335 S336 I337 A354 L357 V358A329-L333 WeakPolarHBondContact O-CB 3.27Å; A329-L333 PolarHBondContact O-N 3.48Å; V330-L333 WeakPolarHBondContact O-CB 3.37Å; V330-L333 PolarHBondContact O-N 2.77Å; I331-L333 PolarHBondContact O-N 2.81Å; L333-V335 VanDerWaalsContact C-N 3.27Å; L333-V335 PolarHBondContact O-N 3.43Å; L333-S336 PolarHBondContact O-N 2.91Å; L333-I337 HydrophobicContact CD1-CD1 3.7Å; L333-I337 HydrophobicContact CD1-CG1 3.87Å; L333-I337 HydrophobicContact CD2-CD1 4.46Å; L333-I337 HydrophobicContact CG-CD1 3.8Å; L333-I337 HydrophobicContact CG-CG1 4.38Å; L333-I337 WeakPolarHBondContact O-CG1 3.4Å; L333-I337 PolarHBondContact O-N 3.04Å; L333-A354 HydrophobicContact CD1-CB 3.24Å; L333-A354 WeakPolarHBondContact CD1-O 3.34Å; L333-A354 HydrophobicContact CG-CB 4.45Å; L333-L357 HydrophobicContact CB-CD2 4.03Å; L333-V358 HydrophobicContact CD2-CG2 4.37Å
334G84.1Confident79Confident40 Ų4066.8 Ų66.841%0.41237%0.367SS..Hα-helixtrans-59.2-39.1177.500000112.6V330 I331 Y338V330-G334 PolarHBondContact O-N 2.67Å; I331-G334 PolarHBondContact O-N 3.23Å; I331-G334 VanDerWaalsContact O-N 3.15Å; G334-Y338 WeakPolarHBondContact O-CB 3.15Å; G334-Y338 PolarHBondContact O-N 2.95Å; G334-Y338 VanDerWaalsContact O-N 3.08Å
335V79.7Confident79Confident75 Ų7566.9 Ų66.946%0.45536%0.363SS..Hα-helixtrans-65.6-47.3174175.40000111I331 G332 L333 Y338 L339I331-V335 PolarHBondContact O-N 2.96Å; I331-V335 VanDerWaalsContact O-N 3.08Å; G332-V335 PolarHBondContact O-N 3.28Å; L333-V335 VanDerWaalsContact C-N 3.27Å; L333-V335 PolarHBondContact O-N 3.43Å; V335-Y338 PolarHBondContact O-N 2.96Å; V335-L339 HydrophobicContact CG1-CD1 3.91Å; V335-L339 HydrophobicContact CG1-CG 4.42Å; V335-L339 VanDerWaalsContact O-CG 3.3Å; V335-L339 WeakPolarHBondContact O-CG 3.47Å; V335-L339 PolarHBondContact O-N 2.91Å
336S76.1Confident79.2Confident5 Ų568 Ų684%0.03538%0.378CS..Hα-helixtrans-61.1-45.8178.5-64.50000112.2G332 L333 Y338 L339 M340G332-S336 PolarHBondContact O-N 3.27Å; G332-S336 PolarHBondContact O-OG 3.47Å; G332-S336 VanDerWaalsContact O-OG 3.11Å; L333-S336 PolarHBondContact O-N 2.91Å; S336-Y338 VanDerWaalsContact C-N 3.35Å; S336-Y338 PolarHBondContact O-N 2.96Å; S336-L339 PolarHBondContact O-N 3.44Å; S336-M340 WeakPolarHBondContact O-CB 3.28Å; S336-M340 VanDerWaalsContact O-CG 3.29Å; S336-M340 WeakPolarHBondContact O-CG 3.38Å; S336-M340 PolarHBondContact O-N 2.99Å
337I81.9Confident79.5Confident54 Ų5471.1 Ų71.128%0.27740%0.395SS..Hα-helixtrans-58.6-47.5176.1-70.1170000110.4L333 L339 M340 I341 I350 A354L333-I337 HydrophobicContact CD1-CD1 3.7Å; L333-I337 HydrophobicContact CD1-CG1 3.87Å; L333-I337 HydrophobicContact CD2-CD1 4.46Å; L333-I337 HydrophobicContact CG-CD1 3.8Å; L333-I337 HydrophobicContact CG-CG1 4.38Å; L333-I337 WeakPolarHBondContact O-CG1 3.4Å; L333-I337 PolarHBondContact O-N 3.04Å; I337-L339 VanDerWaalsContact C-N 3.33Å; I337-L339 PolarHBondContact O-N 3.24Å; I337-M340 PolarHBondContact O-N 3.37Å; I337-I341 HydrophobicContact CG2-CD1 3.64Å; I337-I341 HydrophobicContact CG2-CG1 4.26Å; I337-I341 VanDerWaalsContact O-CG1 3.28Å; I337-I341 WeakPolarHBondContact O-CG1 3.39Å; I337-I341 PolarHBondContact O-N 2.73Å; I337-I350 HydrophobicContact CB-CG2 4.46Å; I337-I350 HydrophobicContact CG1-CG2 4.05Å; I337-I350 HydrophobicContact CG2-CG2 4.22Å; I337-A354 HydrophobicContact CD1-CB 4.4Å; I337-A354 HydrophobicContact CG1-CB 4.41Å
338Y82.7Confident79.4Confident123 Ų12369 Ų6948%0.48240%0.395SS..Hα-helixtrans-60.6-42.3179.4173.2-102.5000112.5G334 V335 S336 R342G334-Y338 WeakPolarHBondContact O-CB 3.15Å; G334-Y338 PolarHBondContact O-N 2.95Å; G334-Y338 VanDerWaalsContact O-N 3.08Å; V335-Y338 PolarHBondContact O-N 2.96Å; S336-Y338 VanDerWaalsContact C-N 3.35Å; S336-Y338 PolarHBondContact O-N 2.96Å; Y338-R342 VanDerWaalsContact CZ-NE 3.28Å; Y338-R342 PolarHBondContact O-N 3.48Å; Y338-R342 PolarHBondContact OH-NE 2.83Å; Y338-R342 PolarHBondContact OH-NH2 2.88Å
339L76.7Confident79.3Confident61 Ų6168.6 Ų68.632%0.31939%0.393SS..Hα-helixtrans-65.6-42.6176.5-69.9171.5000111.6V335 S336 I337 R342 A343 Y1041V335-L339 HydrophobicContact CG1-CD1 3.91Å; V335-L339 HydrophobicContact CG1-CG 4.42Å; V335-L339 VanDerWaalsContact O-CG 3.3Å; V335-L339 WeakPolarHBondContact O-CG 3.47Å; V335-L339 PolarHBondContact O-N 2.91Å; S336-L339 PolarHBondContact O-N 3.44Å; I337-L339 VanDerWaalsContact C-N 3.33Å; I337-L339 PolarHBondContact O-N 3.24Å; L339-R342 WeakPolarHBondContact O-CB 3.41Å; L339-R342 PolarHBondContact O-N 2.81Å; L339-A343 PolarHBondContact O-N 2.93Å; L339-Y1041 HydrophobicContact CD1-CD2 4.23Å
340M78.4Confident79.5Confident19 Ų1969.3 Ų69.39%0.09440%0.396CS..Hα-helixtrans-69.4-36.9179.8-70177.5177.400112.9S336 I337 R342 A343 D344 V345 I350 R353 Y1040S336-M340 WeakPolarHBondContact O-CB 3.28Å; S336-M340 VanDerWaalsContact O-CG 3.29Å; S336-M340 WeakPolarHBondContact O-CG 3.38Å; S336-M340 PolarHBondContact O-N 2.99Å; I337-M340 PolarHBondContact O-N 3.37Å; M340-R342 VanDerWaalsContact C-N 3.28Å; M340-R342 PolarHBondContact O-N 3.32Å; M340-A343 CarbonylContact O-C 3.52Å; M340-A343 PolarHBondContact O-N 2.84Å; M340-A343 VanDerWaalsContact O-N 3.09Å; M340-D344 PolarHBondContact O-N 3.14Å; M340-V345 HydrophobicContact CB-CB 4.27Å; M340-V345 HydrophobicContact CB-CG2 4.35Å; M340-V345 PolarHBondContact O-N 2.6Å; M340-I350 HydrophobicContact CB-CD1 4.18Å; M340-I350 HydrophobicContact CB-CG1 3.82Å; M340-I350 HydrophobicContact SD-CG1 4.37Å; M340-R353 HydrophobicContact CE-CB 3.74Å; M340-R353 HydrophobicContact CE-CG 4.04Å; M340-R353 HydrophobicContact SD-CB 4.14Å; M340-Y1040 HydrophobicContact CE-CD1 4.41Å; M340-Y1040 HydrophobicContact CE-CD2 3.63Å; M340-Y1040 HydrophobicContact CE-CE2 4.11Å; M340-Y1040 HydrophobicContact CE-CG 3.8Å
341I81.6Confident79.3Confident109 Ų10969.4 Ų69.456%0.55939%0.393SS*.Hα-helixtrans-61.5-40.6172-69.6169.7000110.3I337 A343 D344 I350I337-I341 HydrophobicContact CG2-CD1 3.64Å; I337-I341 HydrophobicContact CG2-CG1 4.26Å; I337-I341 VanDerWaalsContact O-CG1 3.28Å; I337-I341 WeakPolarHBondContact O-CG1 3.39Å; I337-I341 PolarHBondContact O-N 2.73Å; I341-A343 PolarHBondContact O-N 2.95Å; I341-D344 PolarHBondContact O-N 3.12Å; I341-I350 HydrophobicContact CG1-CD1 4Å
342R80.7Confident79.1Confident187 Ų18768.6 Ų68.671%0.70638%0.383SS*.Hα-helixtrans-68.3-24.9175.1-79.4-164.1172.3-148.1-1.6113.6Y338 L339 M340 D344Y338-R342 VanDerWaalsContact CZ-NE 3.28Å; Y338-R342 PolarHBondContact O-N 3.48Å; Y338-R342 PolarHBondContact OH-NE 2.83Å; Y338-R342 PolarHBondContact OH-NH2 2.88Å; L339-R342 WeakPolarHBondContact O-CB 3.41Å; L339-R342 PolarHBondContact O-N 2.81Å; M340-R342 VanDerWaalsContact C-N 3.28Å; M340-R342 PolarHBondContact O-N 3.32Å; R342-D344 VanDerWaalsContact C-N 3.3Å
343A75.2Confident79Confident69 Ų6970.4 Ų70.457%0.5739%0.387SS*.THydrogen-bonded Turntrans-87.53.817700000113.4L339 M340 I341 V345L339-A343 PolarHBondContact O-N 2.93Å; M340-A343 CarbonylContact O-C 3.52Å; M340-A343 PolarHBondContact O-N 2.84Å; M340-A343 VanDerWaalsContact O-N 3.09Å; I341-A343 PolarHBondContact O-N 2.95Å; A343-V345 HydrophobicContact CB-CG2 3.99Å; A343-V345 PolarHBondContact O-N 3.39Å
344D78Confident78.8Confident154 Ų15469.7 Ų69.782%0.82439%0.386SS*.THydrogen-bonded Turntrans56.935.2-179.7-153.631000113.7M340 I341 R342M340-D344 PolarHBondContact O-N 3.14Å; I341-D344 PolarHBondContact O-N 3.12Å; R342-D344 VanDerWaalsContact C-N 3.3Å
345V76.4Confident78.7Confident56 Ų5670.9 Ų70.934%0.33938%0.382SS..  trans-74.9143.5176.5179.40000109.9M340 A343 D349 I350M340-V345 HydrophobicContact CB-CB 4.27Å; M340-V345 HydrophobicContact CB-CG2 4.35Å; M340-V345 PolarHBondContact O-N 2.6Å; A343-V345 HydrophobicContact CB-CG2 3.99Å; A343-V345 PolarHBondContact O-N 3.39Å; V345-D349 HydrophobicContact CG1-CB 3.76Å; V345-I350 HydrophobicContact CB-CD1 4.46Å; V345-I350 HydrophobicContact CB-CG1 4.16Å; V345-I350 HydrophobicContact CG1-CG1 4.1Å; V345-I350 VanDerWaalsContact O-CD1 3.29Å; V345-I350 WeakPolarHBondContact O-CD1 3.46Å
346G80.1Confident78.7Confident38 Ų3867.5 Ų67.539%0.39236%0.362SS..  trans-58.5141.2179.200000113.1G348 D349 I350G346-G348 PolarHBondContact O-N 2.72Å; G346-D349 PolarHBondContact O-N 3.08Å; G346-I350 WeakPolarHBondContact O-CG1 3.36Å; G346-I350 PolarHBondContact O-N 3.15Å
347V81.7Confident78.8Confident108 Ų10867.3 Ų67.366%0.65536%0.36SS*.Hα-helixtrans-56.6-36.8-177.1-178.60000112.4D349 I350 I351V347-D349 PolarHBondContact O-N 2.89Å; V347-I350 PolarHBondContact O-N 3.29Å; V347-I351 HydrophobicContact CG1-CD1 3.9Å; V347-I351 HydrophobicContact CG1-CG1 4.43Å; V347-I351 VanDerWaalsContact O-CG1 3.29Å; V347-I351 WeakPolarHBondContact O-CG1 3.4Å; V347-I351 PolarHBondContact O-N 2.92Å
348G79.2Confident78.5Confident45 Ų4567 Ų6746%0.46436%0.361SS..Hα-helixtrans-62.6-40.4176.900000112.9G346 I351 R352G346-G348 PolarHBondContact O-N 2.72Å; G348-I351 PolarHBondContact O-N 3.49Å; G348-R352 WeakPolarHBondContact O-CG 3.38Å; G348-R352 PolarHBondContact O-N 2.99Å
349D75.7Confident78.4Confident65 Ų6561.2 Ų61.235%0.34834%0.338SS..Hα-helixtrans-72.1-40.3178.3-55.2-37.1000110.8V345 G346 V347 I351 R352 R353V345-D349 HydrophobicContact CG1-CB 3.76Å; G346-D349 PolarHBondContact O-N 3.08Å; V347-D349 PolarHBondContact O-N 2.89Å; D349-I351 VanDerWaalsContact C-N 3.29Å; D349-I351 PolarHBondContact O-N 3.18Å; D349-R352 PolarHBondContact O-N 3.48Å; D349-R352 IonicContact OD1-CZ 2.98Å; D349-R352 IonicContact OD1-NE 3.5Å; D349-R352 IonicContact OD1-NH2 3.99Å; D349-R352 PolarHBondContact OD1-NH2 2.71Å; D349-R353 WeakPolarHBondContact O-CB 3.42Å; D349-R353 VanDerWaalsContact O-CG 3.22Å; D349-R353 WeakPolarHBondContact O-CG 3.13Å; D349-R353 PolarHBondContact O-N 3.47Å
350I79.2Confident78.6Confident17 Ų1758.8 Ų58.89%0.08733%0.326CS..Hα-helixtrans-55.9-47173.1-63.9174.4000110.2I337 M340 I341 V345 G346 V347 A354I337-I350 HydrophobicContact CB-CG2 4.46Å; I337-I350 HydrophobicContact CG1-CG2 4.05Å; I337-I350 HydrophobicContact CG2-CG2 4.22Å; M340-I350 HydrophobicContact CB-CD1 4.18Å; M340-I350 HydrophobicContact CB-CG1 3.82Å; M340-I350 HydrophobicContact SD-CG1 4.37Å; I341-I350 HydrophobicContact CG1-CD1 4Å; V345-I350 HydrophobicContact CB-CD1 4.46Å; V345-I350 HydrophobicContact CB-CG1 4.16Å; V345-I350 HydrophobicContact CG1-CG1 4.1Å; V345-I350 VanDerWaalsContact O-CD1 3.29Å; V345-I350 WeakPolarHBondContact O-CD1 3.46Å; G346-I350 WeakPolarHBondContact O-CG1 3.36Å; G346-I350 PolarHBondContact O-N 3.15Å; V347-I350 PolarHBondContact O-N 3.29Å; I350-A354 WeakPolarHBondContact O-CB 3.12Å; I350-A354 PolarHBondContact O-N 2.83Å
351I79.5Confident78.4Confident92 Ų9258 Ų5847%0.47232%0.323SS..Hα-helixtrans-66.2-43.2179.7-68.1168000111.5V347 G348 D349 A354 L355V347-I351 HydrophobicContact CG1-CD1 3.9Å; V347-I351 HydrophobicContact CG1-CG1 4.43Å; V347-I351 VanDerWaalsContact O-CG1 3.29Å; V347-I351 WeakPolarHBondContact O-CG1 3.4Å; V347-I351 PolarHBondContact O-N 2.92Å; G348-I351 PolarHBondContact O-N 3.49Å; D349-I351 VanDerWaalsContact C-N 3.29Å; D349-I351 PolarHBondContact O-N 3.18Å; I351-A354 WeakPolarHBondContact O-CB 3.25Å; I351-A354 PolarHBondContact O-N 3.19Å; I351-L355 HydrophobicContact CG2-CD1 4.02Å; I351-L355 WeakPolarHBondContact O-CG 3.29Å; I351-L355 PolarHBondContact O-N 2.92Å
352R77.7Confident78.1Confident87 Ų8754 Ų5433%0.32830%0.303SS..Hα-helixtrans-62.9-50.7178.8-75-171.6-72.4165.1-4.7111.8S140 G348 D349 A354 L355 D356S140-R352 PolarHBondContact O-NH1 3.27Å; G348-R352 WeakPolarHBondContact O-CG 3.38Å; G348-R352 PolarHBondContact O-N 2.99Å; D349-R352 PolarHBondContact O-N 3.48Å; D349-R352 IonicContact OD1-CZ 2.98Å; D349-R352 IonicContact OD1-NE 3.5Å; D349-R352 IonicContact OD1-NH2 3.99Å; D349-R352 PolarHBondContact OD1-NH2 2.71Å; R352-A354 VanDerWaalsContact C-N 3.29Å; R352-A354 PolarHBondContact O-N 2.93Å; R352-L355 PolarHBondContact O-N 3.32Å; R352-D356 PolarHBondContact O-N 2.73Å
353R74Confident77.8Confident46 Ų4645.4 Ų45.417%0.17427%0.271CS..Hα-helixtrans-64.6-33.7177.7-61.9-64.3-173.8-168.74.5112.5D141 M340 D349 L357 Y1040 N1045D141-R353 IonicContact OD1-CZ 3.99Å; D141-R353 IonicContact OD1-NE 3.75Å; D141-R353 IonicContact OD1-NH1 3.19Å; D141-R353 PolarHBondContact OD1-NH1 2.82Å; D141-R353 IonicContact OD2-CZ 3.13Å; D141-R353 IonicContact OD2-NH1 2.82Å; D141-R353 PolarHBondContact OD2-NH1 3.27Å; M340-R353 HydrophobicContact CE-CB 3.74Å; M340-R353 HydrophobicContact CE-CG 4.04Å; M340-R353 HydrophobicContact SD-CB 4.14Å; D349-R353 WeakPolarHBondContact O-CB 3.42Å; D349-R353 VanDerWaalsContact O-CG 3.22Å; D349-R353 WeakPolarHBondContact O-CG 3.13Å; D349-R353 PolarHBondContact O-N 3.47Å; R353-L357 PolarHBondContact O-N 2.82Å; R353-Y1040 HydrophobicContact CB-CE2 3.9Å; R353-Y1040 WeakPolarHBondContact CD-OH 3.35Å; R353-Y1040 PolarHBondContact O-OH 3.18Å; R353-N1045 PolarHBondContact NH1-ND2 3.25Å; R353-N1045 VanDerWaalsContact NH1-ND2 3.16Å
354A77.1Confident77.8Confident13 Ų1343.1 Ų43.111%0.10725%0.251CS..Hα-helixtrans-60.5-48.7173.600000112.5L333 I337 I350 I351 R352L333-A354 HydrophobicContact CD1-CB 3.24Å; L333-A354 WeakPolarHBondContact CD1-O 3.34Å; L333-A354 HydrophobicContact CG-CB 4.45Å; I337-A354 HydrophobicContact CD1-CB 4.4Å; I337-A354 HydrophobicContact CG1-CB 4.41Å; I350-A354 WeakPolarHBondContact O-CB 3.12Å; I350-A354 PolarHBondContact O-N 2.83Å; I351-A354 WeakPolarHBondContact O-CB 3.25Å; I351-A354 PolarHBondContact O-N 3.19Å; R352-A354 VanDerWaalsContact C-N 3.29Å; R352-A354 PolarHBondContact O-N 2.93Å
355L80.9Confident77.8Confident65 Ų6536.3 Ų36.334%0.3422%0.216SC..Hα-helixtrans-71.2-37.3-179.4-68.8173.3000111.6L137 I351 R352 L357 V358 T359L137-L355 HydrophobicContact CD1-CB 3.82Å; L137-L355 HydrophobicContact CD2-CB 4.03Å; L137-L355 HydrophobicContact CD2-CD1 3.84Å; I351-L355 HydrophobicContact CG2-CD1 4.02Å; I351-L355 WeakPolarHBondContact O-CG 3.29Å; I351-L355 PolarHBondContact O-N 2.92Å; R352-L355 PolarHBondContact O-N 3.32Å; L355-L357 VanDerWaalsContact C-N 3.29Å; L355-L357 PolarHBondContact O-N 2.86Å; L355-V358 WeakPolarHBondContact O-CB 3.45Å; L355-V358 PolarHBondContact O-N 2.7Å; L355-V358 VanDerWaalsContact O-N 3.1Å; L355-T359 PolarHBondContact O-N 3.22Å
356D79.1Confident77.7Confident4 Ų434.6 Ų34.62%0.02121%0.205CC..Hα-helixtrans-53.8-46.3174.5-176.538.3000111.3R352 V358 T359 V360 Y1040 N1045R352-D356 PolarHBondContact O-N 2.73Å; D356-V358 PolarHBondContact O-N 2.91Å; D356-V358 VanDerWaalsContact O-N 3.16Å; D356-T359 WeakPolarHBondContact O-CA 3.32Å; D356-T359 PolarHBondContact O-N 3.06Å; D356-T359 PolarHBondContact O-OG1 2.82Å; D356-T359 PolarHBondContact OD1-OG1 3.49Å; D356-V360 PolarHBondContact O-N 2.91Å; D356-V360 VanDerWaalsContact O-N 3.16Å; D356-Y1040 PolarHBondContact OD2-OH 3.16Å; D356-N1045 PolarHBondContact OD2-ND2 3.13Å
357L78.6Confident77.3Confident1 Ų135 Ų351%0.00520%0.2CC..Hα-helixtrans-59-31.8179.3-166.671000113.7L333 R353 L355 F1033 V1036 I1037L333-L357 HydrophobicContact CB-CD2 4.03Å; R353-L357 PolarHBondContact O-N 2.82Å; L355-L357 VanDerWaalsContact C-N 3.29Å; L355-L357 PolarHBondContact O-N 2.86Å; L357-F1033 HydrophobicContact CD1-CD2 3.49Å; L357-F1033 VanDerWaalsContact CD1-CD2 3.49Å; L357-F1033 HydrophobicContact CD1-CE2 3.63Å; L357-F1033 HydrophobicContact CD1-CG 4.45Å; L357-F1033 HydrophobicContact CD2-CD2 4.42Å; L357-F1033 HydrophobicContact CD2-CE2 3.69Å; L357-F1033 HydrophobicContact CD2-CZ 4.39Å; L357-F1033 HydrophobicContact CG-CD2 3.82Å; L357-F1033 HydrophobicContact CG-CE2 3.53Å; L357-V1036 HydrophobicContact CD1-CB 4.43Å; L357-V1036 HydrophobicContact CD1-CG1 4.02Å; L357-I1037 HydrophobicContact CD1-CD1 4.44Å; L357-I1037 HydrophobicContact CD1-CG1 3.93Å; L357-I1037 HydrophobicContact CD2-CD1 4.47Å; L357-I1037 HydrophobicContact CD2-CG1 4.4Å
358V75.5Confident77.1Confident48 Ų4832.9 Ų32.929%0.29119%0.188SC..Hα-helixtrans-70.9-36.9175.2177.90000110.8L333 L355 D356L333-V358 HydrophobicContact CD2-CG2 4.37Å; L355-V358 WeakPolarHBondContact O-CB 3.45Å; L355-V358 PolarHBondContact O-N 2.7Å; L355-V358 VanDerWaalsContact O-N 3.1Å; D356-V358 PolarHBondContact O-N 2.91Å; D356-V358 VanDerWaalsContact O-N 3.16Å
359T81.2Confident77.2Confident1 Ų131 Ų311%0.00617%0.167CC..Hα-helixtrans-69.3-34.5-179.971.90000112.8S134 L137 W138 L355 D356 V361 V362S134-T359 WeakPolarHBondContact OG-CG2 3.42Å; L137-T359 HydrophobicContact CD1-CG2 3.6Å; W138-T359 PolarHBondContact NE1-OG1 3.49Å; W138-T359 VanDerWaalsContact NE1-OG1 3.09Å; L355-T359 PolarHBondContact O-N 3.22Å; D356-T359 WeakPolarHBondContact O-CA 3.32Å; D356-T359 PolarHBondContact O-N 3.06Å; D356-T359 PolarHBondContact O-OG1 2.82Å; D356-T359 PolarHBondContact OD1-OG1 3.49Å; T359-V361 PolarHBondContact O-N 2.85Å; T359-V362 PolarHBondContact O-N 3.23Å
360V80.5Confident77.1Confident10 Ų1029.3 Ų29.36%0.06116%0.157CC..Hα-helixtrans-60.4-29.8179.6172.10000112.8D356 V362 Q1032 F1033D356-V360 PolarHBondContact O-N 2.91Å; D356-V360 VanDerWaalsContact O-N 3.16Å; V360-V362 VanDerWaalsContact C-N 3.29Å; V360-V362 PolarHBondContact O-N 3.03Å; V360-Q1032 HydrophobicContact CG1-CB 3.96Å; V360-Q1032 HydrophobicContact CG1-CG 3.71Å; V360-F1033 HydrophobicContact CG1-CB 4.35Å
361V75Confident77Confident4 Ų432.2 Ų32.22%0.02418%0.176CC..THydrogen-bonded Turntrans-72.9-21-175.1173.30000113.2L325 A329 T359 F1033L325-V361 HydrophobicContact CB-CG1 3.65Å; L325-V361 HydrophobicContact CD1-CG1 4.22Å; A329-V361 HydrophobicContact CB-CB 4.39Å; A329-V361 HydrophobicContact CB-CG2 3.67Å; T359-V361 PolarHBondContact O-N 2.85Å; V361-F1033 HydrophobicContact CG2-CD2 3.82Å; V361-F1033 HydrophobicContact CG2-CE2 4.27Å; V361-F1033 HydrophobicContact CG2-CG 4.47Å
362V74.5Confident77.2Confident25 Ų2529 Ų2915%0.15216%0.16CC..SBendtrans-114.8108.8-176.6179.70000110.4F130 I322 T359 V360F130-V362 HydrophobicContact CD1-CB 4.25Å; F130-V362 HydrophobicContact CD1-CG1 3.97Å; F130-V362 HydrophobicContact CE1-CB 3.48Å; F130-V362 VanDerWaalsContact CE1-CB 3.48Å; F130-V362 HydrophobicContact CE1-CG1 3.72Å; F130-V362 HydrophobicContact CE1-CG2 4.16Å; F130-V362 HydrophobicContact CZ-CB 3.81Å; F130-V362 HydrophobicContact CZ-CG1 4.38Å; F130-V362 HydrophobicContact CZ-CG2 4Å; I322-V362 HydrophobicContact CG2-CG2 4.19Å; T359-V362 PolarHBondContact O-N 3.23Å; V360-V362 VanDerWaalsContact C-N 3.29Å; V360-V362 PolarHBondContact O-N 3.03Å
363P74.7Confident77.4Confident6 Ų625 Ų254%0.03915%0.146CC..  trans-62.3136.7-178.6-18.524.1000114.2F127 A365 L366 M1025 Y1028 S1029F127-P363 WeakPolarHBondContact CE2-O 3.14Å; P363-A365 PolarHBondContact O-N 3.37Å; P363-L366 HydrophobicContact CB-CB 3.87Å; P363-L366 HydrophobicContact CG-CB 4.03Å; P363-L366 PolarHBondContact O-N 2.96Å; P363-M1025 HydrophobicContact CB-CE 3.66Å; P363-M1025 HydrophobicContact CG-CB 4.22Å; P363-M1025 HydrophobicContact CG-CE 4.17Å; P363-Y1028 WeakPolarHBondContact CA-OH 3.35Å; P363-Y1028 HydrophobicContact CB-CE1 3.68Å; P363-Y1028 WeakPolarHBondContact CB-OH 3.25Å; P363-Y1028 HydrophobicContact CG-CE1 3.57Å; P363-S1029 WeakPolarHBondContact CD-OG 3.45Å; P363-S1029 VanDerWaalsContact CG-OG 3.32Å; P363-S1029 WeakPolarHBondContact CG-OG 3.42Å
364P75Confident78Confident21 Ų2123.5 Ų23.514%0.13614%0.142CC..THydrogen-bonded Turntrans-70.4-17.9168.528.9-34.3000113.2F127 Q131 I150F127-P364 WeakPolarHBondContact CZ-O 3.1Å; Q131-P364 VanDerWaalsContact NE2-CB 3.33Å; Q131-P364 PolarHBondContact NE2-O 3.44Å; Q131-P364 VanDerWaalsContact NE2-O 3.08Å; I150-P364 HydrophobicContact CD1-CB 4.49Å; I150-P364 HydrophobicContact CD1-CG 4.22Å; I150-P364 HydrophobicContact CG2-CB 4.39Å
365A77.9Confident78.4Confident11 Ų1125.6 Ų25.69%0.09115%0.154CC..THydrogen-bonded Turntrans-94.7-1.6177.800000113.6P363 V368 V369 M1025P363-A365 PolarHBondContact O-N 3.37Å; A365-V368 PolarHBondContact O-N 3.04Å; A365-V369 HydrophobicContact CB-CG2 4.27Å; A365-V369 WeakPolarHBondContact O-CB 3.38Å; A365-V369 WeakPolarHBondContact O-CG2 3.25Å; A365-V369 PolarHBondContact O-N 3.28Å; A365-M1025 VanDerWaalsContact C-CE 3.4Å; A365-M1025 HydrophobicContact CB-CE 3.67Å
366L75.6Confident78.8Confident20 Ų2023.2 Ų23.211%0.10514%0.141CC..Hα-helixtrans-55.1-50.1-171.6-17966.9000112.9I322 P363 V368 V369 M370 F1022 M1025I322-L366 HydrophobicContact CD1-CD2 4.12Å; P363-L366 HydrophobicContact CB-CB 3.87Å; P363-L366 HydrophobicContact CG-CB 4.03Å; P363-L366 PolarHBondContact O-N 2.96Å; L366-V368 PolarHBondContact O-N 2.79Å; L366-V369 PolarHBondContact O-N 3.27Å; L366-M370 HydrophobicContact CD1-CG 4.09Å; L366-M370 HydrophobicContact CG-CG 4.42Å; L366-M370 WeakPolarHBondContact O-CB 3.36Å; L366-M370 WeakPolarHBondContact O-CG 3.5Å; L366-M370 PolarHBondContact O-N 3.47Å; L366-F1022 HydrophobicContact CD1-CD2 4.31Å; L366-M1025 HydrophobicContact CB-CE 4.39Å; L366-M1025 HydrophobicContact CD1-CB 3.65Å; L366-M1025 HydrophobicContact CD1-CG 3.96Å
367P71.9Confident79.4Confident46 Ų4623 Ų2330%0.29914%0.14SC..Hα-helixtrans-65.4-41.2-177.7-2235.3000112.3F127 M370 T371F127-P367 HydrophobicContact CB-CG 4.42Å; F127-P367 HydrophobicContact CD1-CG 3.56Å; F127-P367 HydrophobicContact CD2-CG 3.46Å; F127-P367 VanDerWaalsContact CD2-CG 3.46Å; F127-P367 HydrophobicContact CE1-CG 3.49Å; F127-P367 VanDerWaalsContact CE1-CG 3.49Å; F127-P367 HydrophobicContact CE2-CG 3.45Å; F127-P367 VanDerWaalsContact CE2-CG 3.45Å; F127-P367 HydrophobicContact CG-CG 3.51Å; F127-P367 HydrophobicContact CZ-CG 3.44Å; F127-P367 VanDerWaalsContact CZ-CG 3.44Å; P367-M370 PolarHBondContact O-N 3.11Å; P367-T371 WeakPolarHBondContact O-CG2 3.45Å; P367-T371 PolarHBondContact O-N 2.71Å; P367-T371 PolarHBondContact O-OG1 3.13Å
368V77.4Confident80Confident64 Ų6425.1 Ų25.139%0.38815%0.15SC..Hα-helixtrans-63.2-48-179.9179.40000110.5A365 L366 M370 T371 V372 L1064A365-V368 PolarHBondContact O-N 3.04Å; L366-V368 PolarHBondContact O-N 2.79Å; V368-M370 VanDerWaalsContact C-N 3.27Å; V368-M370 PolarHBondContact O-N 3.48Å; V368-T371 PolarHBondContact O-N 2.85Å; V368-T371 PolarHBondContact O-OG1 3.18Å; V368-V372 HydrophobicContact CG1-CG2 4.33Å; V368-V372 WeakPolarHBondContact O-CG2 3.31Å; V368-V372 PolarHBondContact O-N 3.09Å; V368-V372 VanDerWaalsContact O-N 3.08Å; V368-L1064 HydrophobicContact CG1-CD2 3.96Å
369V80.9Confident80.6Confident5 Ų530.5 Ų30.53%0.0317%0.165CC..Hα-helixtrans-64.3-35.1179.7169.30000111.4A365 L366 A1021 M1025A365-V369 HydrophobicContact CB-CG2 4.27Å; A365-V369 WeakPolarHBondContact O-CB 3.38Å; A365-V369 WeakPolarHBondContact O-CG2 3.25Å; A365-V369 PolarHBondContact O-N 3.28Å; L366-V369 PolarHBondContact O-N 3.27Å; V369-A1021 HydrophobicContact CG1-CB 3.77Å; V369-M1025 HydrophobicContact CB-CE 4.1Å; V369-M1025 HydrophobicContact CB-CG 4.26Å; V369-M1025 HydrophobicContact CB-SD 4.18Å; V369-M1025 HydrophobicContact CG1-CG 3.83Å; V369-M1025 HydrophobicContact CG1-SD 4Å; V369-M1025 HydrophobicContact CG2-CE 3.86Å; V369-M1025 HydrophobicContact CG2-SD 4.02Å
370M74.1Confident81.2Confident29 Ų2932.4 Ų32.414%0.14317%0.172CC..Hα-helixtrans-68.5-35.6176.3-75.4-59.4-38.500113.4F314 L366 P367 V368 F1022F314-M370 HydrophobicContact CD1-CE 4.48Å; F314-M370 HydrophobicContact CE1-CE 3.29Å; F314-M370 HydrophobicContact CE1-SD 4.36Å; F314-M370 HydrophobicContact CZ-CE 3.37Å; F314-M370 HydrophobicContact CZ-SD 4.22Å; L366-M370 HydrophobicContact CD1-CG 4.09Å; L366-M370 HydrophobicContact CG-CG 4.42Å; L366-M370 WeakPolarHBondContact O-CB 3.36Å; L366-M370 WeakPolarHBondContact O-CG 3.5Å; L366-M370 PolarHBondContact O-N 3.47Å; P367-M370 PolarHBondContact O-N 3.11Å; V368-M370 VanDerWaalsContact C-N 3.27Å; V368-M370 PolarHBondContact O-N 3.48Å; M370-F1022 HydrophobicContact SD-CB 3.82Å; M370-F1022 HydrophobicContact SD-CD2 4.11Å; M370-F1022 HydrophobicContact SD-CG 4.5Å
371T76.9Confident81.9Confident78 Ų7831.9 Ų31.948%0.47917%0.169SC..Hα-helixtrans-82.3-31.8-177.955.20000113P367 V368 G373 V374 V375P367-T371 WeakPolarHBondContact O-CG2 3.45Å; P367-T371 PolarHBondContact O-N 2.71Å; P367-T371 PolarHBondContact O-OG1 3.13Å; V368-T371 PolarHBondContact O-N 2.85Å; V368-T371 PolarHBondContact O-OG1 3.18Å; T371-G373 VanDerWaalsContact C-N 3.29Å; T371-G373 PolarHBondContact O-N 2.81Å; T371-V374 WeakPolarHBondContact O-CB 3.37Å; T371-V374 PolarHBondContact O-N 2.87Å; T371-V375 WeakPolarHBondContact O-CG2 3.43Å; T371-V375 PolarHBondContact O-N 2.6Å
372V82.7Confident82.5Confident25 Ų2535.1 Ų35.115%0.15219%0.186CC..Hα-helixtrans-57.3-39.2-176.4163.30000113V368 V374 V375 L376 L1064V368-V372 HydrophobicContact CG1-CG2 4.33Å; V368-V372 WeakPolarHBondContact O-CG2 3.31Å; V368-V372 PolarHBondContact O-N 3.09Å; V368-V372 VanDerWaalsContact O-N 3.08Å; V372-V374 VanDerWaalsContact C-N 3.27Å; V372-V374 PolarHBondContact O-N 3.35Å; V372-V375 PolarHBondContact O-N 2.84Å; V372-L376 HydrophobicContact CG1-CD1 3.63Å; V372-L376 HydrophobicContact CG1-CG 4.2Å; V372-L376 WeakPolarHBondContact O-CB 3.47Å; V372-L376 VanDerWaalsContact O-CG 3.24Å; V372-L376 WeakPolarHBondContact O-CG 2.95Å; V372-L376 PolarHBondContact O-N 2.68Å; V372-L1064 HydrophobicContact CB-CD2 4.5Å; V372-L1064 HydrophobicContact CG2-CD2 3.63Å
373G82.5Confident83.2Confident3 Ų338.4 Ų38.43%0.03121%0.21CC..Hα-helixtrans-60-37.1176.400000113.2T371 A377T371-G373 VanDerWaalsContact C-N 3.29Å; T371-G373 PolarHBondContact O-N 2.81Å; G373-A377 WeakPolarHBondContact O-CB 3.42Å; G373-A377 PolarHBondContact O-N 2.61Å
374V86.6Confident83.9Confident14 Ų1442.1 Ų42.19%0.08523%0.227CC..Hα-helixtrans-75.9-45.3179.1179.50000110.9T371 V372 L376 A377 Q378 P391 I394 N395T371-V374 WeakPolarHBondContact O-CB 3.37Å; T371-V374 PolarHBondContact O-N 2.87Å; V372-V374 VanDerWaalsContact C-N 3.27Å; V372-V374 PolarHBondContact O-N 3.35Å; V374-L376 VanDerWaalsContact C-N 3.33Å; V374-L376 PolarHBondContact O-N 2.94Å; V374-A377 WeakPolarHBondContact O-CB 3.49Å; V374-A377 PolarHBondContact O-N 3.21Å; V374-A377 VanDerWaalsContact O-N 3.16Å; V374-Q378 PolarHBondContact O-N 2.99Å; V374-P391 HydrophobicContact CG1-CB 3.6Å; V374-P391 WeakPolarHBondContact CG1-O 3.28Å; V374-I394 HydrophobicContact CG1-CD1 4.3Å; V374-N395 WeakPolarHBondContact CG2-ND2 3.47Å
375V85.7Confident84.4Confident58 Ų5841.8 Ų41.835%0.35223%0.227SC..Hα-helixtrans-61.2-41.9178.41740000111.2T371 V372 Q378 R379T371-V375 WeakPolarHBondContact O-CG2 3.43Å; T371-V375 PolarHBondContact O-N 2.6Å; V372-V375 PolarHBondContact O-N 2.84Å; V375-Q378 WeakPolarHBondContact O-CB 3.39Å; V375-Q378 PolarHBondContact O-N 3.45Å; V375-R379 WeakPolarHBondContact O-CG 3.41Å; V375-R379 PolarHBondContact O-N 3.39Å
376L89.1Confident85Confident15 Ų1541.4 Ų41.48%0.07922%0.223CC..Hα-helixtrans-68.2-35.7176.6-67.6172.6000112.2V372 V374 R379 R380 G1067 Y1068V372-L376 HydrophobicContact CG1-CD1 3.63Å; V372-L376 HydrophobicContact CG1-CG 4.2Å; V372-L376 WeakPolarHBondContact O-CB 3.47Å; V372-L376 VanDerWaalsContact O-CG 3.24Å; V372-L376 WeakPolarHBondContact O-CG 2.95Å; V372-L376 PolarHBondContact O-N 2.68Å; V374-L376 VanDerWaalsContact C-N 3.33Å; V374-L376 PolarHBondContact O-N 2.94Å; L376-R379 PolarHBondContact O-N 3.4Å; L376-R380 WeakPolarHBondContact O-CG 3.4Å; L376-R380 PolarHBondContact O-N 3.09Å; L376-G1067 VanDerWaalsContact CD1-C 3.41Å; L376-G1067 WeakPolarHBondContact CD1-O 3.23Å; L376-Y1068 HydrophobicContact CD1-CD1 4.12Å; L376-Y1068 HydrophobicContact CD1-CD2 3.58Å; L376-Y1068 HydrophobicContact CD1-CE1 4.26Å; L376-Y1068 HydrophobicContact CD1-CE2 3.73Å; L376-Y1068 HydrophobicContact CD1-CG 3.8Å; L376-Y1068 HydrophobicContact CD2-CD1 4.07Å; L376-Y1068 HydrophobicContact CD2-CE1 3.65Å; L376-Y1068 HydrophobicContact CD2-CE2 4.31Å
377A91.6Very high85.4Confident0 Ų044.8 Ų44.80%024%0.237CC..Hα-helixtrans-64.9-41.8172.800000111.6G373 V374 R379 R380 L381 I394 A1014G373-A377 WeakPolarHBondContact O-CB 3.42Å; G373-A377 PolarHBondContact O-N 2.61Å; V374-A377 WeakPolarHBondContact O-CB 3.49Å; V374-A377 PolarHBondContact O-N 3.21Å; V374-A377 VanDerWaalsContact O-N 3.16Å; A377-R379 PolarHBondContact O-N 3.4Å; A377-R380 PolarHBondContact O-N 3.38Å; A377-L381 WeakPolarHBondContact O-CG 3.17Å; A377-L381 PolarHBondContact O-N 3.4Å; A377-I394 HydrophobicContact CB-CG2 3.98Å; A377-A1014 HydrophobicContact CB-CB 3.81Å
378Q90.8Very high85.9Confident44 Ų4443.1 Ų43.121%0.20623%0.226CC..Hα-helixtrans-59-45.3174-171.9-175.710.500111.5V374 V375 R380 L381 L382 C388 I394V374-Q378 PolarHBondContact O-N 2.99Å; V375-Q378 WeakPolarHBondContact O-CB 3.39Å; V375-Q378 PolarHBondContact O-N 3.45Å; Q378-R380 VanDerWaalsContact C-N 3.33Å; Q378-R380 PolarHBondContact O-N 3.44Å; Q378-L381 PolarHBondContact O-N 3.26Å; Q378-L382 HydrophobicContact CG-CD1 4.46Å; Q378-L382 WeakPolarHBondContact O-CG 3.49Å; Q378-L382 PolarHBondContact O-N 2.92Å; Q378-C388 HydrophobicContact CG-CB 4.33Å; Q378-C388 PolarHBondContact NE2-O 3.44Å; Q378-C388 VanDerWaalsContact NE2-O 3.15Å; Q378-I394 HydrophobicContact CB-CD1 3.8Å; Q378-I394 HydrophobicContact CG-CD1 4.4Å
379R89Confident85.7Confident161 Ų16144.7 Ų44.761%0.60824%0.236SC*.Hα-helixtrans-60.9-39175.6-72.5-177.4179.6-177.30.8112.9V375 L376 A377 L382 S383V375-R379 WeakPolarHBondContact O-CG 3.41Å; V375-R379 PolarHBondContact O-N 3.39Å; L376-R379 PolarHBondContact O-N 3.4Å; A377-R379 PolarHBondContact O-N 3.4Å; R379-L382 PolarHBondContact O-N 2.8Å; R379-S383 PolarHBondContact O-N 3.14Å; R379-S383 VanDerWaalsContact O-N 3.13Å
380R93.8Very high85.3Confident41 Ų4147.2 Ų47.216%0.15525%0.249CC..Hα-helixtrans-69.3-35.4174.9-70.2-171.5-56.9-91.8-1.4112.2L376 A377 Q378 S383 H384 E1010L376-R380 WeakPolarHBondContact O-CG 3.4Å; L376-R380 PolarHBondContact O-N 3.09Å; A377-R380 PolarHBondContact O-N 3.38Å; Q378-R380 VanDerWaalsContact C-N 3.33Å; Q378-R380 PolarHBondContact O-N 3.44Å; R380-S383 PolarHBondContact O-N 3.34Å; R380-S383 PolarHBondContact O-OG 3.47Å; R380-H384 PolarHBondContact O-N 2.8Å; R380-H384 PolarHBondContact O-ND1 3.21Å; R380-E1010 IonicContact CZ-OE2 2.83Å; R380-E1010 IonicContact NE-OE1 3.2Å; R380-E1010 PolarHBondContact NE-OE1 3.23Å; R380-E1010 IonicContact NE-OE2 2.81Å; R380-E1010 PolarHBondContact NE-OE2 3.39Å; R380-E1010 IonicContact NH2-OE2 3.22Å; R380-E1010 PolarHBondContact NH2-OE2 3.15Å
381L93.9Very high85.5Confident0 Ų047.6 Ų47.60%025%0.254CS..Hα-helixtrans-65.1-43.7173.5-72.9171.1000111A377 Q378 S383 H384 G385 I386 I394 F994 L1007 E1010A377-L381 WeakPolarHBondContact O-CG 3.17Å; A377-L381 PolarHBondContact O-N 3.4Å; Q378-L381 PolarHBondContact O-N 3.26Å; L381-S383 VanDerWaalsContact C-N 3.28Å; L381-S383 PolarHBondContact O-N 3.11Å; L381-H384 CarbonylContact O-C 3.6Å; L381-H384 WeakPolarHBondContact O-CA 3.45Å; L381-H384 WeakPolarHBondContact O-CB 3.47Å; L381-H384 PolarHBondContact O-N 3.4Å; L381-G385 PolarHBondContact O-N 3.49Å; L381-I386 CarbonylContact C-O 3.52Å; L381-I386 HydrophobicContact CB-CB 4.13Å; L381-I386 HydrophobicContact CB-CG2 4.46Å; L381-I386 WeakPolarHBondContact CB-O 3.34Å; L381-I386 HydrophobicContact CD2-CB 4.29Å; L381-I386 HydrophobicContact CD2-CD1 3.96Å; L381-I386 HydrophobicContact CD2-CG2 4.35Å; L381-I386 PolarHBondContact O-N 2.88Å; L381-I394 HydrophobicContact CD1-CD1 3.96Å; L381-I394 HydrophobicContact CD1-CG1 4.03Å; L381-I394 HydrophobicContact CD1-CG2 4.38Å; L381-F994 HydrophobicContact CD1-CE1 4.4Å; L381-L1007 HydrophobicContact CD1-CD1 3.74Å; L381-L1007 HydrophobicContact CD2-CD1 3.94Å; L381-E1010 HydrophobicContact CD2-CB 3.9Å; L381-E1010 HydrophobicContact CD2-CG 3.94Å; L381-E1010 HydrophobicContact CG-CB 4.18Å; L381-E1010 HydrophobicContact CG-CG 4.29Å
382L88.8Confident85.5Confident71 Ų7147.7 Ų47.737%0.37226%0.255SS..Hα-helixtrans-57.7-39.6175.1-72.4168.4000111.9Q378 R379 H384 G385 I386 F387Q378-L382 HydrophobicContact CG-CD1 4.46Å; Q378-L382 WeakPolarHBondContact O-CG 3.49Å; Q378-L382 PolarHBondContact O-N 2.92Å; R379-L382 PolarHBondContact O-N 2.8Å; L382-H384 PolarHBondContact O-N 3.07Å; L382-G385 PolarHBondContact O-N 3.12Å; L382-I386 PolarHBondContact N-O 3.45Å; L382-F387 HydrophobicContact CD2-CB 4.38Å; L382-F387 HydrophobicContact CD2-CD1 3.23Å; L382-F387 HydrophobicContact CD2-CE1 3.64Å; L382-F387 HydrophobicContact CD2-CG 4.01Å
383S89.3Confident85.6Confident94 Ų9446.7 Ų46.766%0.65725%0.249SC*.Hα-helixtrans-67.5-17.9175.4690000114.1R379 R380 L381R379-S383 PolarHBondContact O-N 3.14Å; R379-S383 VanDerWaalsContact O-N 3.13Å; R380-S383 PolarHBondContact O-N 3.34Å; R380-S383 PolarHBondContact O-OG 3.47Å; L381-S383 VanDerWaalsContact C-N 3.28Å; L381-S383 PolarHBondContact O-N 3.11Å
384H89.2Confident85.9Confident85 Ų8546.5 Ų46.539%0.39425%0.247SC..THydrogen-bonded Turntrans-94.58.9170.8-65.885.2000112.4R380 L381 L382 I386 T1006R380-H384 PolarHBondContact O-N 2.8Å; R380-H384 PolarHBondContact O-ND1 3.21Å; L381-H384 CarbonylContact O-C 3.6Å; L381-H384 WeakPolarHBondContact O-CA 3.45Å; L381-H384 WeakPolarHBondContact O-CB 3.47Å; L381-H384 PolarHBondContact O-N 3.4Å; L382-H384 PolarHBondContact O-N 3.07Å; H384-I386 VanDerWaalsContact C-N 3.29Å; H384-I386 HydrophobicContact CB-CD1 4.47Å; H384-I386 PolarHBondContact O-N 2.81Å; H384-T1006 HydrophobicContact CB-CG2 4.35Å
385G86Confident86Confident14 Ų1446.3 Ų46.314%0.14425%0.246CC..THydrogen-bonded Turntrans72.719.1-176.900000114.1L381 L382 R997L381-G385 PolarHBondContact O-N 3.49Å; L382-G385 PolarHBondContact O-N 3.12Å; G385-R997 PolarHBondContact O-N 2.79Å
386I90.3Very high86Confident3 Ų344 Ų442%0.01523%0.231CC..EExtended strand (participates in β ladder)trans-103.7109176.1-54.8170000108.5L381 L382 H384 F994 T995 C1003 T1006L381-I386 CarbonylContact C-O 3.52Å; L381-I386 HydrophobicContact CB-CB 4.13Å; L381-I386 HydrophobicContact CB-CG2 4.46Å; L381-I386 WeakPolarHBondContact CB-O 3.34Å; L381-I386 HydrophobicContact CD2-CB 4.29Å; L381-I386 HydrophobicContact CD2-CD1 3.96Å; L381-I386 HydrophobicContact CD2-CG2 4.35Å; L381-I386 PolarHBondContact O-N 2.88Å; L382-I386 PolarHBondContact N-O 3.45Å; H384-I386 VanDerWaalsContact C-N 3.29Å; H384-I386 HydrophobicContact CB-CD1 4.47Å; H384-I386 PolarHBondContact O-N 2.81Å; I386-F994 HydrophobicContact CG2-CB 4.44Å; I386-F994 HydrophobicContact CG2-CD1 4.34Å; I386-T995 CarbonylContact C-O 3.56Å; I386-T995 WeakPolarHBondContact CA-O 3.35Å; I386-C1003 HydrophobicContact CD1-CB 3.72Å; I386-C1003 HydrophobicContact CG1-CB 4Å; I386-T1006 HydrophobicContact CD1-CG2 4.19Å
387F84.1Confident86.1Confident90 Ų9043.2 Ų43.240%0.39523%0.227SC..EExtended strand (participates in β ladder)trans-86.3141.5176.4-58.5-89.4000109.6L382 F994 T995 R997L382-F387 HydrophobicContact CD2-CB 4.38Å; L382-F387 HydrophobicContact CD2-CD1 3.23Å; L382-F387 HydrophobicContact CD2-CE1 3.64Å; L382-F387 HydrophobicContact CD2-CG 4.01Å; F387-F994 CarbonylContact O-C 3.52Å; F387-F994 VanDerWaalsContact O-CA 3.22Å; F387-F994 WeakPolarHBondContact O-CA 3.1Å; F387-T995 PolarHBondContact N-O 3.4Å; F387-T995 PolarHBondContact O-N 3.32Å; F387-R997 HydrophobicContact CE2-CB 4.3Å
388C81Confident86Confident11 Ų1143.2 Ų43.27%0.07423%0.227CC..EExtended strand (participates in β ladder)trans-129.8122.3178.5179.70000109.2Q378 N390 I394 P993 F994Q378-C388 HydrophobicContact CG-CB 4.33Å; Q378-C388 PolarHBondContact NE2-O 3.44Å; Q378-C388 VanDerWaalsContact NE2-O 3.15Å; C388-N390 PolarHBondContact SG-O 2.85Å; C388-I394 HydrophobicContact CB-CD1 4.48Å; C388-P993 WeakPolarHBondContact CA-O 3.31Å; C388-F994 HydrophobicContact CB-CD1 3.69Å; C388-F994 HydrophobicContact CB-CE1 3.67Å; C388-F994 WeakPolarHBondContact SG-CE1 3.34Å
389V72.9Confident85.9Confident98 Ų9841.6 Ų41.659%0.59422%0.22SC*.SBendtrans-80-37.3179.6-175.70000110.7P993V389-P993 PolarHBondContact N-O 3.31Å
390N72.7Confident86Confident57 Ų5734 Ų3431%0.30519%0.192SC..  trans-121.498.4-180-176.6-7.6000111.4C388 T392 V393C388-N390 PolarHBondContact SG-O 2.85Å; N390-T392 PolarHBondContact O-N 2.88Å; N390-T392 VanDerWaalsContact O-N 3.11Å; N390-T392 PolarHBondContact OD1-N 3.4Å; N390-T392 PolarHBondContact OD1-OG1 2.96Å; N390-V393 HydrophobicContact CB-CG2 3.73Å; N390-V393 WeakPolarHBondContact O-CB 3.48Å; N390-V393 VanDerWaalsContact O-CG2 3.28Å; N390-V393 WeakPolarHBondContact O-CG2 3.37Å; N390-V393 PolarHBondContact O-N 2.97Å; N390-V393 VanDerWaalsContact O-N 3.07Å
391P79.4Confident85.9Confident37 Ų3732.7 Ų32.724%0.2419%0.188CC..THydrogen-bonded Turntrans-59.5-28.5-175.5-23.633.2000113.7V374 V393 I394V374-P391 HydrophobicContact CG1-CB 3.6Å; V374-P391 WeakPolarHBondContact CG1-O 3.28Å; P391-V393 PolarHBondContact O-N 2.91Å; P391-I394 HydrophobicContact CB-CD1 4.35Å; P391-I394 VanDerWaalsContact O-CB 3.27Å; P391-I394 WeakPolarHBondContact O-CB 3.43Å; P391-I394 VanDerWaalsContact O-CG1 3.31Å; P391-I394 WeakPolarHBondContact O-CG1 3.43Å; P391-I394 PolarHBondContact O-N 3.24Å
392T75.9Confident86Confident81 Ų8132.7 Ų32.750%0.49719%0.188SC..Hα-helixtrans-62.7-25.4-179.867.30000112.7N390 I394N390-T392 PolarHBondContact O-N 2.88Å; N390-T392 VanDerWaalsContact O-N 3.11Å; N390-T392 PolarHBondContact OD1-N 3.4Å; N390-T392 PolarHBondContact OD1-OG1 2.96Å; T392-I394 VanDerWaalsContact C-N 3.27Å; T392-I394 PolarHBondContact O-N 3.44Å
393V84.6Confident86.3Confident3 Ų329.4 Ų29.42%0.01817%0.171CC..Hα-helixtrans-66.4-28.4176.5-169.90000111.8L310 N390 P391 N395 V396 C397 H978 P993 F994L310-V393 HydrophobicContact CD1-CG2 3.53Å; N390-V393 HydrophobicContact CB-CG2 3.73Å; N390-V393 WeakPolarHBondContact O-CB 3.48Å; N390-V393 VanDerWaalsContact O-CG2 3.28Å; N390-V393 WeakPolarHBondContact O-CG2 3.37Å; N390-V393 PolarHBondContact O-N 2.97Å; N390-V393 VanDerWaalsContact O-N 3.07Å; P391-V393 PolarHBondContact O-N 2.91Å; V393-N395 PolarHBondContact O-N 3.17Å; V393-V396 WeakPolarHBondContact O-CA 3.49Å; V393-V396 VanDerWaalsContact O-CB 3.29Å; V393-V396 WeakPolarHBondContact O-CB 3.44Å; V393-V396 PolarHBondContact O-N 3.31Å; V393-C397 PolarHBondContact O-N 3.5Å; V393-C397 VanDerWaalsContact O-N 3.15Å; V393-C397 PolarHBondContact O-SG 3.02Å; V393-H978 WeakPolarHBondContact CG1-O 3.17Å; V393-P993 HydrophobicContact CB-CB 4.43Å; V393-P993 HydrophobicContact CG1-CB 4.23Å; V393-P993 HydrophobicContact CG1-CG 4.34Å; V393-P993 HydrophobicContact CG2-CB 4.07Å; V393-F994 HydrophobicContact CB-CE2 4.1Å; V393-F994 HydrophobicContact CB-CZ 3.94Å; V393-F994 HydrophobicContact CG1-CE2 3.55Å; V393-F994 HydrophobicContact CG1-CZ 3.87Å
394I90.3Very high86.7Confident0 Ų024.9 Ų24.90%014%0.139CC..Hα-helixtrans-55.4-40.1-178.4-62.6169.4000110.9V374 A377 Q378 L381 C388 P391 T392 V396 C397 F994 G1011 A1014V374-I394 HydrophobicContact CG1-CD1 4.3Å; A377-I394 HydrophobicContact CB-CG2 3.98Å; Q378-I394 HydrophobicContact CB-CD1 3.8Å; Q378-I394 HydrophobicContact CG-CD1 4.4Å; L381-I394 HydrophobicContact CD1-CD1 3.96Å; L381-I394 HydrophobicContact CD1-CG1 4.03Å; L381-I394 HydrophobicContact CD1-CG2 4.38Å; C388-I394 HydrophobicContact CB-CD1 4.48Å; P391-I394 HydrophobicContact CB-CD1 4.35Å; P391-I394 VanDerWaalsContact O-CB 3.27Å; P391-I394 WeakPolarHBondContact O-CB 3.43Å; P391-I394 VanDerWaalsContact O-CG1 3.31Å; P391-I394 WeakPolarHBondContact O-CG1 3.43Å; P391-I394 PolarHBondContact O-N 3.24Å; T392-I394 VanDerWaalsContact C-N 3.27Å; T392-I394 PolarHBondContact O-N 3.44Å; I394-V396 VanDerWaalsContact C-N 3.29Å; I394-V396 PolarHBondContact O-N 3.41Å; I394-C397 WeakPolarHBondContact O-CB 3.48Å; I394-C397 PolarHBondContact O-N 3.41Å; I394-F994 HydrophobicContact CG1-CE1 3.87Å; I394-F994 HydrophobicContact CG1-CZ 4.1Å; I394-G1011 WeakPolarHBondContact O-CA 3.49Å; I394-A1014 HydrophobicContact CG2-CB 3.9Å
395N87.7Confident87Confident10 Ų1020.9 Ų20.95%0.05312%0.121CC..Hα-helixtrans-65.2-31.7177.3-81.6-18.9000112.8F312 V374 V393 C397 G398 A1014 L1015F312-N395 HydrophobicContact CE1-CB 4.36Å; F312-N395 HydrophobicContact CE2-CB 4.32Å; F312-N395 HydrophobicContact CZ-CB 3.75Å; V374-N395 WeakPolarHBondContact CG2-ND2 3.47Å; V393-N395 PolarHBondContact O-N 3.17Å; N395-C397 VanDerWaalsContact C-N 3.33Å; N395-G398 PolarHBondContact O-N 3.35Å; N395-A1014 VanDerWaalsContact OD1-C 3.23Å; N395-A1014 WeakPolarHBondContact OD1-CB 3.25Å; N395-L1015 HydrophobicContact CB-CD1 3.96Å; N395-L1015 PolarHBondContact OD1-N 3.23Å
396V86.1Confident87.3Confident8 Ų821 Ų215%0.04812%0.118CC..Hα-helixtrans-69.8-33.8175.6-173.20000110.6F312 V393 I394 G398 V399 F960 H978F312-V396 HydrophobicContact CD2-CG2 4.1Å; F312-V396 HydrophobicContact CE2-CG2 4.19Å; V393-V396 WeakPolarHBondContact O-CA 3.49Å; V393-V396 VanDerWaalsContact O-CB 3.29Å; V393-V396 WeakPolarHBondContact O-CB 3.44Å; V393-V396 PolarHBondContact O-N 3.31Å; I394-V396 VanDerWaalsContact C-N 3.29Å; I394-V396 PolarHBondContact O-N 3.41Å; V396-G398 PolarHBondContact O-N 2.94Å; V396-V399 WeakPolarHBondContact O-CG2 3.5Å; V396-V399 PolarHBondContact O-N 2.83Å; V396-V399 VanDerWaalsContact O-N 3.07Å; V396-F960 HydrophobicContact CG1-CD1 4.07Å; V396-F960 HydrophobicContact CG1-CE1 4.44Å; V396-H978 HydrophobicContact CG1-CB 3.89Å
397C90.9Very high87.2Confident0 Ų020.9 Ų20.90%012%0.117CC..Hα-helixtrans-58.8-24175.7-57.60000113V393 I394 N395 V399 I400 F994 L1007V393-C397 PolarHBondContact O-N 3.5Å; V393-C397 VanDerWaalsContact O-N 3.15Å; V393-C397 PolarHBondContact O-SG 3.02Å; I394-C397 WeakPolarHBondContact O-CB 3.48Å; I394-C397 PolarHBondContact O-N 3.41Å; N395-C397 VanDerWaalsContact C-N 3.33Å; C397-V399 PolarHBondContact O-N 3.38Å; C397-I400 HydrophobicContact CB-CD1 3.95Å; C397-F994 WeakPolarHBondContact SG-CE2 3.48Å; C397-F994 VanDerWaalsContact SG-CZ 3.52Å; C397-L1007 HydrophobicContact CB-CD1 4.44Å; C397-L1007 HydrophobicContact CB-CG 4.08Å
398G89.2Confident87Confident0 Ų018.9 Ų18.90%011%0.113CC..THydrogen-bonded Turntrans-62.3-24.9177.100000114.6N395 V396 R1012 P1080N395-G398 PolarHBondContact O-N 3.35Å; V396-G398 PolarHBondContact O-N 2.94Å; G398-R1012 WeakPolarHBondContact O-CG 3.44Å; G398-R1012 PolarHBondContact O-NE 2.86Å; G398-P1080 WeakPolarHBondContact O-CD 3.38Å
399V89.1Confident86.8Confident9 Ų918.4 Ų18.46%0.05511%0.109CC..THydrogen-bonded Turntrans-112.16.8-174-63.30000114.9V396 C397 N401 F960 L1015 P1080 M1082V396-V399 WeakPolarHBondContact O-CG2 3.5Å; V396-V399 PolarHBondContact O-N 2.83Å; V396-V399 VanDerWaalsContact O-N 3.07Å; C397-V399 PolarHBondContact O-N 3.38Å; V399-N401 PolarHBondContact O-N 3.31Å; V399-F960 HydrophobicContact CG2-CB 4.24Å; V399-F960 HydrophobicContact CG2-CD1 3.6Å; V399-F960 HydrophobicContact CG2-CD2 4.07Å; V399-F960 HydrophobicContact CG2-CE1 3.9Å; V399-F960 HydrophobicContact CG2-CE2 4.34Å; V399-F960 HydrophobicContact CG2-CG 3.69Å; V399-F960 HydrophobicContact CG2-CZ 4.26Å; V399-F960 WeakPolarHBondContact O-CB 3.16Å; V399-L1015 HydrophobicContact CG1-CD2 3.9Å; V399-P1080 WeakPolarHBondContact CG1-O 3.49Å; V399-M1082 HydrophobicContact CB-CG 4.09Å; V399-M1082 HydrophobicContact CB-SD 4.13Å; V399-M1082 HydrophobicContact CG1-CG 3.31Å; V399-M1082 HydrophobicContact CG1-SD 4Å; V399-M1082 HydrophobicContact CG2-CE 4.33Å; V399-M1082 HydrophobicContact CG2-CG 3.98Å; V399-M1082 HydrophobicContact CG2-SD 3.45Å; V399-M1082 WeakPolarHBondContact CG2-SD 3.44Å
400I91.9Very high87.5Confident1 Ų113.7 Ų13.71%0.0058%0.081CC..  trans-53.1131.5174.1-70.2167.9000109.8C397 V402 I641 F960 A979 I1008C397-I400 HydrophobicContact CB-CD1 3.95Å; I400-V402 WeakPolarHBondContact CG2-O 3.33Å; I400-I641 HydrophobicContact CG2-CG2 4.32Å; I400-F960 WeakPolarHBondContact CA-O 3.47Å; I400-A979 HydrophobicContact CD1-CB 3.57Å; I400-I1008 HydrophobicContact CB-CD1 4.41Å; I400-I1008 HydrophobicContact CB-CG1 4.35Å; I400-I1008 HydrophobicContact CD1-CG1 4.13Å; I400-I1008 HydrophobicContact CG2-CD1 4.05Å; I400-I1008 HydrophobicContact CG2-CG1 4.47Å
401N91.3Very high88.3Confident15 Ų1511 Ų118%0.087%0.066CC..  trans-131.4-4.8178.661.5-9.8000113.3V399 R642 F960 Y1252V399-N401 PolarHBondContact O-N 3.31Å; N401-R642 PolarHBondContact O-N 2.86Å; N401-F960 PolarHBondContact N-O 3.49Å; N401-F960 PolarHBondContact OD1-N 3.01Å; N401-F960 PolarHBondContact OD1-O 2.99Å; N401-Y1252 PolarHBondContact ND2-OH 3.35Å
402V95Very high88.6Confident0 Ų09.2 Ų9.20%06%0.055CC..EExtended strand (participates in β ladder)trans-134.5133.3169.1176.30000108.8I400 R642 V644 L954 Y959 F960 S962I400-V402 WeakPolarHBondContact CG2-O 3.33Å; V402-R642 WeakPolarHBondContact CA-O 3.26Å; V402-R642 HydrophobicContact CG2-CB 4.16Å; V402-V644 HydrophobicContact CG1-CG2 4.01Å; V402-L954 HydrophobicContact CG1-CD1 4.33Å; V402-Y959 HydrophobicContact CB-CD1 4.38Å; V402-Y959 HydrophobicContact CB-CG 4.49Å; V402-Y959 HydrophobicContact CG2-CD1 3.15Å; V402-Y959 HydrophobicContact CG2-CD2 4.08Å; V402-Y959 HydrophobicContact CG2-CE1 3.46Å; V402-Y959 VanDerWaalsContact CG2-CE1 3.46Å; V402-Y959 HydrophobicContact CG2-CE2 4.33Å; V402-Y959 HydrophobicContact CG2-CG 3.49Å; V402-Y959 VanDerWaalsContact CG2-CG 3.49Å; V402-F960 PolarHBondContact N-O 2.8Å; V402-S962 PolarHBondContact O-N 3.09Å
403A96.6Very high88.9Confident1 Ų19.3 Ų9.31%0.0085%0.05CC..EExtended strand (participates in β ladder)trans-120.2116.9173.100000109.3F405 L636 I641 R642 P643 V644 V1004A403-F405 HydrophobicContact CB-CE2 3.61Å; A403-F405 HydrophobicContact CB-CZ 3.72Å; A403-F405 WeakPolarHBondContact O-CD2 3.2Å; A403-F405 WeakPolarHBondContact O-CE2 3.18Å; A403-L636 HydrophobicContact CB-CD1 4.3Å; A403-I641 HydrophobicContact CB-CG2 4.2Å; A403-R642 PolarHBondContact N-O 3.28Å; A403-P643 CarbonylContact O-C 3.45Å; A403-P643 WeakPolarHBondContact O-CA 3.37Å; A403-V644 PolarHBondContact O-N 2.88Å; A403-V1004 HydrophobicContact CB-CG1 4.45Å
404C97.1Very high87.9Confident0 Ų012.7 Ų12.70%07%0.067CC..EExtended strand (participates in β ladder)trans-93.9139.7174.6-63.50000109.7V644 V646 I951 S962 M963 C964C404-V644 CarbonylContact C-O 3.54Å; C404-V644 VanDerWaalsContact CA-O 3.28Å; C404-V644 WeakPolarHBondContact CA-O 3.35Å; C404-V646 HydrophobicContact CB-CG2 4.21Å; C404-I951 HydrophobicContact CB-CD1 3.97Å; C404-S962 PolarHBondContact N-O 3.05Å; C404-M963 HydrophobicContact CB-SD 3.57Å; C404-M963 VanDerWaalsContact CB-SD 3.57Å; C404-M963 CarbonylContact O-C 3.42Å; C404-M963 WeakPolarHBondContact O-CA 3.41Å; C404-C964 PolarHBondContact O-N 3.17Å
405F96.1Very high86.6Confident1 Ų114 Ų140%0.0048%0.081CC..EExtended strand (participates in β ladder)trans-130.1135.8-178.7-60.6-84.2000109.8A403 T410 L411 I633 L636 P643 V644 M645 V646 M663 C964 I1001 V1004A403-F405 HydrophobicContact CB-CE2 3.61Å; A403-F405 HydrophobicContact CB-CZ 3.72Å; A403-F405 WeakPolarHBondContact O-CD2 3.2Å; A403-F405 WeakPolarHBondContact O-CE2 3.18Å; F405-T410 HydrophobicContact CB-CG2 4.35Å; F405-T410 HydrophobicContact CD1-CG2 4.36Å; F405-L411 HydrophobicContact CB-CD1 3.98Å; F405-L411 HydrophobicContact CB-CD2 4.05Å; F405-L411 HydrophobicContact CB-CG 4.03Å; F405-L411 HydrophobicContact CD1-CD2 4.29Å; F405-L411 HydrophobicContact CG-CD2 4.13Å; F405-I633 HydrophobicContact CD2-CD1 4.22Å; F405-I633 HydrophobicContact CE2-CD1 3.92Å; F405-I633 HydrophobicContact CZ-CD1 4.36Å; F405-L636 HydrophobicContact CE2-CD1 3.96Å; F405-L636 HydrophobicContact CZ-CD1 3.54Å; F405-P643 HydrophobicContact CE2-CB 4.25Å; F405-V644 PolarHBondContact N-O 3.02Å; F405-M645 WeakPolarHBondContact O-CA 3.41Å; F405-V646 PolarHBondContact O-N 2.98Å; F405-M663 HydrophobicContact CD2-CE 4.48Å; F405-C964 HydrophobicContact CD1-CB 3.79Å; F405-C964 HydrophobicContact CE1-CB 4.03Å; F405-I1001 HydrophobicContact CD1-CB 4.39Å; F405-I1001 HydrophobicContact CD1-CD1 4.39Å; F405-I1001 HydrophobicContact CD1-CG2 3.79Å; F405-I1001 HydrophobicContact CE1-CB 3.99Å; F405-I1001 HydrophobicContact CE1-CD1 4.03Å; F405-I1001 HydrophobicContact CE1-CG2 3.89Å; F405-I1001 HydrophobicContact CZ-CD1 4.49Å; F405-V1004 HydrophobicContact CE1-CG2 3.89Å; F405-V1004 HydrophobicContact CZ-CG1 4.38Å; F405-V1004 HydrophobicContact CZ-CG2 4.44Å
406D92Very high85.8Confident15 Ų1514.1 Ų14.18%0.088%0.082CC..  trans-68.7158158.5-159.113.8000110.3T410 L411 K947 M963 C964D406-T410 VanDerWaalsContact O-CB 3.24Å; D406-T410 WeakPolarHBondContact O-CB 3.44Å; D406-T410 VanDerWaalsContact O-CG2 3.31Å; D406-T410 WeakPolarHBondContact O-CG2 3.41Å; D406-L411 WeakPolarHBondContact O-CG 3.19Å; D406-K947 IonicContact OD1-NZ 3.92Å; D406-K947 PolarHBondContact OD1-NZ 2.61Å; D406-K947 IonicContact OD2-NZ 2.8Å; D406-K947 PolarHBondContact OD2-NZ 2.9Å; D406-M963 HydrophobicContact CB-CE 4.34Å; D406-C964 PolarHBondContact N-O 3.28Å; D406-C964 VanDerWaalsContact N-O 3.09Å
407K88.1Confident85.4Confident2 Ų215.8 Ų15.81%0.0099%0.09CC..SBendtrans-87.5-65.3-179.5-170.8-138.487.7-173.30111.4L411 T412 N623 M645 T647 D649 V657K407-L411 PolarHBondContact O-N 3.27Å; K407-T412 HydrophobicContact CG-CG2 4.43Å; K407-T412 PolarHBondContact O-N 2.84Å; K407-T412 VanDerWaalsContact O-N 3.07Å; K407-T412 PolarHBondContact O-OG1 2.89Å; K407-N623 PolarHBondContact NZ-ND2 3.12Å; K407-M645 HydrophobicContact CB-CG 4.21Å; K407-M645 HydrophobicContact CB-SD 3.99Å; K407-M645 HydrophobicContact CG-CE 4.16Å; K407-M645 HydrophobicContact CG-SD 3.9Å; K407-T647 HydrophobicContact CB-CG2 4.16Å; K407-D649 HydrophobicContact CD-CB 4.35Å; K407-D649 WeakPolarHBondContact CD-OD2 3.35Å; K407-D649 WeakPolarHBondContact CE-OD2 3.42Å; K407-D649 IonicContact NZ-OD1 3.2Å; K407-D649 PolarHBondContact NZ-OD1 2.81Å; K407-D649 IonicContact NZ-OD2 2.79Å; K407-D649 PolarHBondContact NZ-OD2 3.4Å; K407-V657 HydrophobicContact CD-CB 4.46Å; K407-V657 HydrophobicContact CD-CG1 4.48Å; K407-V657 HydrophobicContact CD-CG2 4.16Å; K407-V657 HydrophobicContact CG-CB 4.34Å; K407-V657 HydrophobicContact CG-CG1 3.91Å; K407-V657 HydrophobicContact CG-CG2 4.46Å
408T79.5Confident85Confident48 Ų4817.5 Ų17.529%0.29410%0.099SC..THydrogen-bonded Turntrans-70.3135.1-175.1-61.80000109.3T410 D649 D966T408-T410 PolarHBondContact O-N 3.49Å; T408-D649 PolarHBondContact OG1-OD2 3.43Å; T408-D966 VanDerWaalsContact O-OD1 3.05Å
409G77.3Confident84.9Confident0 Ų020.4 Ų20.40%011%0.11CC..THydrogen-bonded Turntrans63.4-11.2-176.900000116.9T412 D414 K626 D966G409-T412 CarbonylContact C-O 3.37Å; G409-T412 WeakPolarHBondContact CA-O 3.25Å; G409-T412 PolarHBondContact N-O 3.24Å; G409-D414 WeakPolarHBondContact CA-OD1 3.46Å; G409-K626 PolarHBondContact O-NZ 2.93Å; G409-D966 VanDerWaalsContact C-CG 3.49Å; G409-D966 VanDerWaalsContact CA-OD2 3.27Å; G409-D966 WeakPolarHBondContact CA-OD2 3.21Å
410T86.5Confident85Confident0 Ų020 Ų200%011%0.107CC..THydrogen-bonded Turntrans-102.7-58.1176-69.50000112.8F405 D406 T408 G965 D966 L983 I1001F405-T410 HydrophobicContact CB-CG2 4.35Å; F405-T410 HydrophobicContact CD1-CG2 4.36Å; D406-T410 VanDerWaalsContact O-CB 3.24Å; D406-T410 WeakPolarHBondContact O-CB 3.44Å; D406-T410 VanDerWaalsContact O-CG2 3.31Å; D406-T410 WeakPolarHBondContact O-CG2 3.41Å; T408-T410 PolarHBondContact O-N 3.49Å; T410-G965 WeakPolarHBondContact OG1-CA 3.4Å; T410-D966 PolarHBondContact OG1-N 2.97Å; T410-D966 PolarHBondContact OG1-OD1 3.22Å; T410-L983 HydrophobicContact CG2-CD1 3.95Å; T410-I1001 HydrophobicContact CG2-CG2 3.81Å
411L90.2Very high85Confident0 Ų019.9 Ų19.90%011%0.107CC..THydrogen-bonded Turntrans-91.5-36.8177.9-66.9172.3000111.9F405 D406 K407 K626 T629 I633 M645 M663 I1001F405-L411 HydrophobicContact CB-CD1 3.98Å; F405-L411 HydrophobicContact CB-CD2 4.05Å; F405-L411 HydrophobicContact CB-CG 4.03Å; F405-L411 HydrophobicContact CD1-CD2 4.29Å; F405-L411 HydrophobicContact CG-CD2 4.13Å; D406-L411 WeakPolarHBondContact O-CG 3.19Å; K407-L411 PolarHBondContact O-N 3.27Å; L411-K626 PolarHBondContact O-N 3.09Å; L411-T629 HydrophobicContact CB-CG2 4.07Å; L411-T629 HydrophobicContact CD2-CG2 3.52Å; L411-T629 HydrophobicContact CG-CG2 4.38Å; L411-T629 PolarHBondContact O-OG1 3.03Å; L411-I633 HydrophobicContact CD2-CD1 4.41Å; L411-M645 HydrophobicContact CD1-CE 3.67Å; L411-M645 HydrophobicContact CD1-CG 4.34Å; L411-M663 HydrophobicContact CD1-CE 4.02Å; L411-I1001 HydrophobicContact CD2-CD1 3.79Å
412T85.9Confident85.1Confident0 Ų019.3 Ų19.30%010%0.104CC..BIsolated β-bridgetrans-99.4160.8175.168.30000110K407 G409 N623 R624 L625 K626 V657K407-T412 HydrophobicContact CG-CG2 4.43Å; K407-T412 PolarHBondContact O-N 2.84Å; K407-T412 VanDerWaalsContact O-N 3.07Å; K407-T412 PolarHBondContact O-OG1 2.89Å; G409-T412 CarbonylContact C-O 3.37Å; G409-T412 WeakPolarHBondContact CA-O 3.25Å; G409-T412 PolarHBondContact N-O 3.24Å; T412-N623 HydrophobicContact CG2-CB 4.1Å; T412-R624 CarbonylContact C-O 3.58Å; T412-R624 WeakPolarHBondContact CA-O 3.12Å; T412-R624 VanDerWaalsContact CB-O 3.23Å; T412-R624 WeakPolarHBondContact CB-O 3.48Å; T412-L625 HydrophobicContact CG2-CD2 4.21Å; T412-K626 VanDerWaalsContact O-CE 3.22Å; T412-K626 WeakPolarHBondContact O-CE 3.31Å; T412-V657 HydrophobicContact CG2-CG1 3.97Å; T412-V657 HydrophobicContact CG2-CG2 4.27Å
413E81.6Confident85Confident83 Ų8320 Ų2039%0.38811%0.108SC..  trans-55151.4165.9-61.5-65.1169.200110.4G415 R624 K626E413-G415 PolarHBondContact O-N 2.8Å; E413-R624 PolarHBondContact N-O 3.49Å; E413-K626 HydrophobicContact CG-CG 4.35Å
414D64.3Low84.6Confident73 Ų7323 Ų2339%0.3912%0.12SC..SBendtrans-66.3-28.7-177.5-57.88.5000111.1G409 K626G409-D414 WeakPolarHBondContact CA-OD1 3.46Å; D414-K626 IonicContact OD1-NZ 2.72Å; D414-K626 PolarHBondContact OD1-NZ 3.19Å
415G62.1Low84Confident28 Ų2828.8 Ų28.829%0.28915%0.147SC..SBendtrans-91.8154.3-178.700000114.3E413E413-G415 PolarHBondContact O-N 2.8Å
416L72.1Confident83.2Confident13 Ų1336.8 Ų36.87%0.06819%0.19CC..PPolyproline II helixtrans-90.1132.6163.1-75.2118.6000109.2L466 K469 R585 M621 N623L416-L466 HydrophobicContact CD1-CB 4.22Å; L416-K469 WeakPolarHBondContact O-CD 3.34Å; L416-K469 WeakPolarHBondContact O-CG 3.31Å; L416-R585 HydrophobicContact CD2-CB 4.04Å; L416-R585 HydrophobicContact CD2-CG 4.3Å; L416-M621 HydrophobicContact CB-CB 4.41Å; L416-M621 HydrophobicContact CB-SD 4.23Å; L416-M621 HydrophobicContact CD2-CB 3.86Å; L416-M621 HydrophobicContact CD2-CE 4.34Å; L416-M621 HydrophobicContact CD2-SD 4.23Å; L416-N623 VanDerWaalsContact CD2-OD1 3.23Å; L416-N623 WeakPolarHBondContact CD2-OD1 3.41Å
417D76.3Confident82.7Confident42 Ų4237.1 Ų37.123%0.22520%0.197CC..EExtended strand (participates in β ladder)trans-97.2140.3170.5-80.7-28.5000110.1W419 K469 M621 E622 R624D417-W419 PolarHBondContact O-N 2.98Å; D417-K469 IonicContact OD1-NZ 3.4Å; D417-K469 PolarHBondContact OD1-NZ 3.08Å; D417-M621 CarbonylContact O-C 3.59Å; D417-M621 WeakPolarHBondContact O-CA 3.32Å; D417-M621 WeakPolarHBondContact O-CB 3.35Å; D417-E622 HydrophobicContact CB-CG 4.22Å; D417-E622 PolarHBondContact N-O 3.13Å; D417-E622 VanDerWaalsContact N-O 3.16Å; D417-E622 PolarHBondContact O-N 3.24Å; D417-R624 IonicContact OD2-CZ 3.69Å; D417-R624 IonicContact OD2-NE 3.86Å; D417-R624 IonicContact OD2-NH1 2.71Å; D417-R624 PolarHBondContact OD2-NH1 3.12Å
418M83.3Confident82.5Confident37 Ų3741.9 Ų41.918%0.18222%0.222CC..EExtended strand (participates in β ladder)trans-73.7117.8176.6-134.6-62-62.500107.9G420 P436 L619M418-G420 VanDerWaalsContact CE-N 3.34Å; M418-P436 VanDerWaalsContact CE-CD 3.42Å; M418-P436 HydrophobicContact CE-CG 3.21Å; M418-P436 HydrophobicContact SD-CG 4.34Å; M418-L619 HydrophobicContact CG-CD1 4.23Å; M418-L619 HydrophobicContact SD-CD1 3.42Å; M418-L619 WeakPolarHBondContact SD-CD1 3.25Å
419W87.1Confident82.9Confident60 Ų6041 Ų4123%0.22721%0.214CC..EExtended strand (participates in β ladder)trans-87.4-46.2176.3178.791.3000110.6D417 P432 L434 Y579 Y584 I620D417-W419 PolarHBondContact O-N 2.98Å; W419-P432 HydrophobicContact CH2-CB 3.88Å; W419-P432 HydrophobicContact CH2-CG 4.21Å; W419-P432 HydrophobicContact CZ3-CB 3.78Å; W419-L434 HydrophobicContact CD2-CD2 4.39Å; W419-L434 HydrophobicContact CE3-CD2 4.45Å; W419-L434 HydrophobicContact CH2-CD2 4.39Å; W419-L434 HydrophobicContact CZ2-CD2 4.32Å; W419-L434 HydrophobicContact CZ3-CD2 4.46Å; W419-L434 WeakPolarHBondContact O-CD2 3.41Å; W419-Y579 AromaticContact CH2-CE1 3.82Å; W419-Y579 HydrophobicContact CH2-CE1 3.82Å; W419-Y579 HydrophobicContact CZ2-CE1 4.38Å; W419-Y579 AromaticContact CZ3-CE1 3.94Å; W419-Y579 HydrophobicContact CZ3-CE1 3.94Å; W419-Y584 HydrophobicContact CB-CE1 4.41Å; W419-Y584 AromaticContact CD1-CE1 3.58Å; W419-Y584 AromaticContact CD1-CZ 3.97Å; W419-Y584 HydrophobicContact CG-CD1 4.4Å; W419-Y584 AromaticContact CG-CE1 3.95Å; W419-Y584 HydrophobicContact CG-CE1 3.95Å; W419-Y584 AromaticContact NE1-CE1 3.99Å; W419-Y584 AromaticContact NE1-CZ 3.9Å; W419-I620 HydrophobicContact CB-CB 4.46Å; W419-I620 HydrophobicContact CB-CG2 4.02Å; W419-I620 WeakPolarHBondContact CB-O 3.05Å; W419-I620 HydrophobicContact CD2-CG2 4.06Å; W419-I620 HydrophobicContact CE3-CB 3.81Å; W419-I620 HydrophobicContact CE3-CD1 4.01Å; W419-I620 HydrophobicContact CE3-CG1 4.49Å; W419-I620 HydrophobicContact CE3-CG2 3.73Å; W419-I620 HydrophobicContact CG-CG2 4.21Å; W419-I620 HydrophobicContact CZ3-CD1 3.89Å; W419-I620 PolarHBondContact N-O 3.04Å
420G90.8Very high83.3Confident0 Ų041.8 Ų41.80%022%0.222CC..EExtended strand (participates in β ladder)trans171175.9-177.100000112.8M418 E433 I620M418-G420 VanDerWaalsContact CE-N 3.34Å; G420-E433 CarbonylContact C-O 3.5Å; G420-E433 WeakPolarHBondContact CA-O 3.42Å; G420-I620 PolarHBondContact N-O 3.04Å; G420-I620 PolarHBondContact O-N 3.41Å
421I92.4Very high83.2Confident0 Ų048.8 Ų48.80%026%0.259CS..EExtended strand (participates in β ladder)trans-123137174.5-76.2174.4000109.6P423 P432 E433 P436 L439 L444 L448 L618 L619I421-P423 WeakPolarHBondContact O-CD 3.26Å; I421-P432 CarbonylContact O-C 3.54Å; I421-P432 WeakPolarHBondContact O-CA 3.47Å; I421-E433 PolarHBondContact N-O 3.35Å; I421-E433 PolarHBondContact O-N 3.47Å; I421-P436 HydrophobicContact CD1-CB 4.01Å; I421-P436 HydrophobicContact CD1-CG 3.86Å; I421-P436 HydrophobicContact CG1-CG 4.33Å; I421-L439 HydrophobicContact CD1-CD1 4.3Å; I421-L444 HydrophobicContact CG2-CD1 4.26Å; I421-L444 HydrophobicContact CG2-CD2 3.91Å; I421-L444 HydrophobicContact CG2-CG 4.42Å; I421-L448 HydrophobicContact CD1-CD1 3.13Å; I421-L448 HydrophobicContact CD1-CD2 3.46Å; I421-L448 VanDerWaalsContact CD1-CD2 3.46Å; I421-L448 HydrophobicContact CD1-CG 3.84Å; I421-L618 CarbonylContact C-O 3.58Å; I421-L618 WeakPolarHBondContact CA-O 3.48Å; I421-L619 HydrophobicContact CD1-CD1 3.89Å; I421-L619 HydrophobicContact CG1-CD1 3.55Å
422I93.1Very high83.2Confident3 Ų351.2 Ų51.22%0.01528%0.275CS..EExtended strand (participates in β ladder)trans-106.1104.1173.3-52.4-173000107.8F429 P432 T575 Y579 G617 L618 I620I422-F429 HydrophobicContact CB-CD1 4.42Å; I422-F429 HydrophobicContact CG2-CB 3.66Å; I422-F429 HydrophobicContact CG2-CD1 3.56Å; I422-F429 HydrophobicContact CG2-CE1 4.48Å; I422-F429 HydrophobicContact CG2-CG 3.88Å; I422-P432 HydrophobicContact CG1-CB 4.21Å; I422-T575 HydrophobicContact CD1-CG2 4.32Å; I422-Y579 HydrophobicContact CD1-CD2 3.92Å; I422-Y579 HydrophobicContact CD1-CE1 4.42Å; I422-Y579 HydrophobicContact CD1-CE2 3.12Å; I422-Y579 VanDerWaalsContact CD1-CZ 3.41Å; I422-Y579 WeakPolarHBondContact CD1-OH 3.47Å; I422-G617 CarbonylContact O-C 3.46Å; I422-G617 WeakPolarHBondContact O-CA 3.28Å; I422-L618 HydrophobicContact CB-CB 4.34Å; I422-L618 PolarHBondContact N-O 3.47Å; I422-L618 PolarHBondContact O-N 3.05Å; I422-I620 HydrophobicContact CD1-CD1 3.32Å; I422-I620 HydrophobicContact CD1-CG1 4.47Å; I422-I620 HydrophobicContact CG1-CD1 3.65Å; I422-I620 HydrophobicContact CG1-CG1 4.49Å
423P92.1Very high83.3Confident14 Ų1454.2 Ų54.29%0.09129%0.289CS..EExtended strand (participates in β ladder)trans-69.7150.8179.829.7-33.2000111I421 G430 D431 L444I421-P423 WeakPolarHBondContact O-CD 3.26Å; P423-G430 PolarHBondContact O-N 3.37Å; P423-D431 WeakPolarHBondContact CD-O 3.44Å; P423-L444 HydrophobicContact CB-CD2 3.95Å
424Y89.3Confident83.6Confident65 Ų6555.5 Ų55.526%0.25530%0.298SS..EExtended strand (participates in β ladder)trans-87.9125.3165.3168.2-95.8000109.7G427 T567 P569 F615 L616Y424-G427 VanDerWaalsContact CE2-CA 3.48Å; Y424-G427 WeakPolarHBondContact OH-CA 3.25Å; Y424-G427 PolarHBondContact OH-N 3.4Å; Y424-T567 WeakPolarHBondContact CE2-O 3.37Å; Y424-P569 HydrophobicContact CD2-CB 4.25Å; Y424-P569 HydrophobicContact CD2-CG 4.02Å; Y424-P569 HydrophobicContact CE2-CB 4.39Å; Y424-P569 HydrophobicContact CE2-CG 4.48Å; Y424-F615 HydrophobicContact CD2-CD1 4.03Å; Y424-F615 HydrophobicContact CG-CD1 4.12Å; Y424-L616 WeakPolarHBondContact CB-O 3.37Å; Y424-L616 PolarHBondContact N-O 3.42Å
425E82.9Confident84.6Confident120 Ų12056.3 Ų56.356%0.56130%0.3SS*.EExtended strand (participates in β ladder)trans-134.8118.9176.9-65.4-174.4177.500109.9G427 L428E425-G427 VanDerWaalsContact C-N 3.27Å; E425-G427 PolarHBondContact O-N 2.93Å; E425-L428 PolarHBondContact N-O 2.94Å; E425-L428 PolarHBondContact O-N 3.48Å; E425-L428 VanDerWaalsContact O-O 3.06Å
426D80.5Confident85.7Confident170 Ų17055.1 Ų55.191%0.90929%0.287SS*.THydrogen-bonded Turntrans4838170.9-66.1-28.1000116.5
427G80.7Confident86.3Confident22 Ų2256.1 Ų56.123%0.22730%0.295CS..THydrogen-bonded Turntrans93.22175.700000115.1Y424 E425 P569Y424-G427 VanDerWaalsContact CE2-CA 3.48Å; Y424-G427 WeakPolarHBondContact OH-CA 3.25Å; Y424-G427 PolarHBondContact OH-N 3.4Å; E425-G427 VanDerWaalsContact C-N 3.27Å; E425-G427 PolarHBondContact O-N 2.93Å; G427-P569 WeakPolarHBondContact O-CA 3.35Å
428L85.3Confident86.6Confident102 Ų10260.6 Ų60.653%0.53431%0.314SS..EExtended strand (participates in β ladder)trans-128.9166.3177.4-69.4164.2000110.2E425E425-L428 PolarHBondContact N-O 2.94Å; E425-L428 PolarHBondContact O-N 3.48Å; E425-L428 VanDerWaalsContact O-O 3.06Å
429F87.9Confident86.6Confident29 Ų2960.4 Ų60.413%0.12731%0.314CS..EExtended strand (participates in β ladder)trans-79.5134.9165.2-70.9-67.3000110.6I422 P569 F572 T575 F615 L618I422-F429 HydrophobicContact CB-CD1 4.42Å; I422-F429 HydrophobicContact CG2-CB 3.66Å; I422-F429 HydrophobicContact CG2-CD1 3.56Å; I422-F429 HydrophobicContact CG2-CE1 4.48Å; I422-F429 HydrophobicContact CG2-CG 3.88Å; F429-P569 HydrophobicContact CD1-CG 4.22Å; F429-P569 HydrophobicContact CD2-CB 4.22Å; F429-P569 HydrophobicContact CD2-CG 4.14Å; F429-P569 HydrophobicContact CE1-CG 3.74Å; F429-P569 HydrophobicContact CE2-CB 4.12Å; F429-P569 HydrophobicContact CE2-CG 3.69Å; F429-P569 HydrophobicContact CG-CG 4.42Å; F429-P569 HydrophobicContact CZ-CB 4.38Å; F429-P569 HydrophobicContact CZ-CG 3.47Å; F429-P569 VanDerWaalsContact CZ-CG 3.47Å; F429-F572 AromaticContact CZ-CD2 3.89Å; F429-F572 HydrophobicContact CZ-CD2 3.89Å; F429-T575 HydrophobicContact CD2-CG2 3.9Å; F429-T575 WeakPolarHBondContact CD2-OG1 3.4Å; F429-T575 HydrophobicContact CE2-CG2 3.95Å; F429-T575 HydrophobicContact CG-CG2 4.41Å; F429-F615 AromaticContact CE1-CE1 3.71Å; F429-F615 HydrophobicContact CE1-CE1 3.71Å; F429-F615 AromaticContact CE1-CZ 3.92Å; F429-F615 HydrophobicContact CE1-CZ 3.92Å; F429-F615 HydrophobicContact CZ-CE1 4.28Å; F429-F615 HydrophobicContact CZ-CZ 4.32Å; F429-L618 HydrophobicContact CE1-CD1 3.83Å; F429-L618 HydrophobicContact CE1-CG 3.81Å; F429-L618 HydrophobicContact CZ-CD1 3.7Å; F429-L618 HydrophobicContact CZ-CG 4.09Å
430G84.7Confident86.3Confident17 Ų1764.6 Ų64.618%0.17534%0.341CS..  trans-77.1-178169.700000112.4P423P423-G430 PolarHBondContact O-N 3.37Å
431D85.8Confident85.8Confident146 Ų14668.7 Ų68.778%0.78136%0.363SS*.  trans-67.2143.6173.9-72.1-47.9000110.7P423 E433P423-D431 WeakPolarHBondContact CD-O 3.44Å; D431-E433 PolarHBondContact O-N 3.02Å
432P88.3Confident85.5Confident52 Ų5269.6 Ų69.634%0.33837%0.372SS..  trans-66.7123.5179.724.8-31.8000111.3W419 I421 I422W419-P432 HydrophobicContact CH2-CB 3.88Å; W419-P432 HydrophobicContact CH2-CG 4.21Å; W419-P432 HydrophobicContact CZ3-CB 3.78Å; I421-P432 CarbonylContact O-C 3.54Å; I421-P432 WeakPolarHBondContact O-CA 3.47Å; I422-P432 HydrophobicContact CG1-CB 4.21Å
433E89.8Confident85.4Confident62 Ų6271.5 Ų71.529%0.2939%0.385SS..BIsolated β-bridgetrans-89.8113.9174.2-171.752.7-102.600109.6G420 I421 D431 E435 L439G420-E433 CarbonylContact C-O 3.5Å; G420-E433 WeakPolarHBondContact CA-O 3.42Å; I421-E433 PolarHBondContact N-O 3.35Å; I421-E433 PolarHBondContact O-N 3.47Å; D431-E433 PolarHBondContact O-N 3.02Å; E433-E435 PolarHBondContact OE1-N 2.83Å; E433-L439 HydrophobicContact CB-CD2 4.34Å; E433-L439 HydrophobicContact CG-CD2 4.07Å; E433-L439 HydrophobicContact CG-CG 4.27Å
434L87.1Confident85.4Confident111 Ų11172 Ų7258%0.58139%0.386SS*.SBendtrans-81.2-21.2-176.5-63.1174.1000111.8W419W419-L434 HydrophobicContact CD2-CD2 4.39Å; W419-L434 HydrophobicContact CE3-CD2 4.45Å; W419-L434 HydrophobicContact CH2-CD2 4.39Å; W419-L434 HydrophobicContact CZ2-CD2 4.32Å; W419-L434 HydrophobicContact CZ3-CD2 4.46Å; W419-L434 WeakPolarHBondContact O-CD2 3.41Å
435E85.9Confident85.5Confident90 Ų9069 Ų6942%0.42138%0.375SS..  trans-122.887.2-177.4-148.3170.8174.300110.9E433 S437 E438 K475E433-E435 PolarHBondContact OE1-N 2.83Å; E435-S437 PolarHBondContact O-N 2.99Å; E435-E438 HydrophobicContact CB-CG 4.33Å; E435-E438 PolarHBondContact O-N 2.86Å; E435-K475 IonicContact OE1-NZ 2.9Å; E435-K475 PolarHBondContact OE1-NZ 2.92Å
436P83.9Confident86Confident3 Ų363.4 Ų63.42%0.01935%0.349CS..G310 helixtrans-56.1-20.8-174.5-29.336.2000115.5M418 I421 E438 L439 L448M418-P436 VanDerWaalsContact CE-CD 3.42Å; M418-P436 HydrophobicContact CE-CG 3.21Å; M418-P436 HydrophobicContact SD-CG 4.34Å; I421-P436 HydrophobicContact CD1-CB 4.01Å; I421-P436 HydrophobicContact CD1-CG 3.86Å; I421-P436 HydrophobicContact CG1-CG 4.33Å; P436-E438 PolarHBondContact O-N 2.88Å; P436-L439 HydrophobicContact CB-CD1 4.17Å; P436-L439 WeakPolarHBondContact O-CB 3.37Å; P436-L439 WeakPolarHBondContact O-CG 3.09Å; P436-L439 PolarHBondContact O-N 2.93Å; P436-L448 HydrophobicContact CB-CD1 4.07Å
437S84.5Confident86.7Confident33 Ų3355.3 Ų55.323%0.23131%0.305CS..G310 helixtrans-65.3-16.417461.10000114.5E435 S473 K475E435-S437 PolarHBondContact O-N 2.99Å; S437-S473 PolarHBondContact N-O 3Å; S437-K475 WeakPolarHBondContact OG-CE 3.48Å; S437-K475 PolarHBondContact OG-NZ 3.23Å
438E82.8Confident87.3Confident136 Ų13654.3 Ų54.364%0.63630%0.295SS*.G310 helixtrans-87.9-6.5176.1-58.6-159.3156.800113E435 P436E435-E438 HydrophobicContact CB-CG 4.33Å; E435-E438 PolarHBondContact O-N 2.86Å; P436-E438 PolarHBondContact O-N 2.88Å
439L83.5Confident87.6Confident33 Ų3349.4 Ų49.417%0.17327%0.269CS..SBendtrans-66.2142.1175.5-67.4168.8000111.4I421 E433 P436 L444 M445 L448I421-L439 HydrophobicContact CD1-CD1 4.3Å; E433-L439 HydrophobicContact CB-CD2 4.34Å; E433-L439 HydrophobicContact CG-CD2 4.07Å; E433-L439 HydrophobicContact CG-CG 4.27Å; P436-L439 HydrophobicContact CB-CD1 4.17Å; P436-L439 WeakPolarHBondContact O-CB 3.37Å; P436-L439 WeakPolarHBondContact O-CG 3.09Å; P436-L439 PolarHBondContact O-N 2.93Å; L439-L444 HydrophobicContact CD1-CD2 4.08Å; L439-L444 HydrophobicContact CD1-CG 4.3Å; L439-L444 HydrophobicContact CD2-CD2 4.31Å; L439-M445 HydrophobicContact CB-SD 4.44Å; L439-L448 HydrophobicContact CD1-CD1 4.08Å
440D82.1Confident87.8Confident148 Ų14848 Ų4879%0.79126%0.263SS*.  trans-61.6149.6173-75.7-34.9000111.8G442D440-G442 PolarHBondContact O-N 3.41Å
441N79Confident88Confident87 Ų8747.2 Ų47.247%0.46526%0.255SS..THydrogen-bonded Turntrans-65.997.3174.8-69.5-26.3000109.8Y519N441-Y519 HydrophobicContact CB-CE1 4.45Å
442G86.3Confident88.2Confident19 Ų1940.3 Ų40.320%0.19622%0.218CC..THydrogen-bonded Turntrans-156.4-172.1179.600000112.3D440 L444 M445 E446D440-G442 PolarHBondContact O-N 3.41Å; G442-L444 VanDerWaalsContact C-N 3.25Å; G442-L444 PolarHBondContact O-N 3.5Å; G442-L444 VanDerWaalsContact O-N 3.14Å; G442-M445 PolarHBondContact O-N 2.91Å; G442-M445 VanDerWaalsContact O-N 3.12Å; G442-E446 WeakPolarHBondContact O-CG 3.31Å; G442-E446 PolarHBondContact O-N 3.32Å
443P91.2Very high87.9Confident43 Ų4340 Ų4028%0.27922%0.216SC..Hα-helixtrans-55.7-35.2-173.3-29.336.6000114.8C447 Y551 W591 L616P443-C447 VanDerWaalsContact O-CB 3.24Å; P443-C447 WeakPolarHBondContact O-CB 3.34Å; P443-C447 PolarHBondContact O-N 2.7Å; P443-Y551 HydrophobicContact CB-CE1 4.17Å; P443-Y551 WeakPolarHBondContact O-CE1 3.35Å; P443-W591 HydrophobicContact CB-CD2 3.62Å; P443-W591 HydrophobicContact CB-CE3 3.91Å; P443-W591 HydrophobicContact CB-CG 4.03Å; P443-W591 HydrophobicContact CB-CH2 4.33Å; P443-W591 HydrophobicContact CB-CZ2 4.08Å; P443-W591 HydrophobicContact CB-CZ3 4.25Å; P443-W591 HydrophobicContact CG-CD2 4.06Å; P443-W591 HydrophobicContact CG-CE3 4.16Å; P443-W591 HydrophobicContact CG-CH2 3.7Å; P443-W591 HydrophobicContact CG-CZ2 3.58Å; P443-W591 HydrophobicContact CG-CZ3 3.99Å; P443-L616 HydrophobicContact CB-CD1 4.31Å; P443-L616 HydrophobicContact CB-CD2 3.82Å
444L91.9Very high87.6Confident24 Ų2437.2 Ų37.213%0.12620%0.204CC..Hα-helixtrans-66-49.9177.8-177.162.1000111.4I421 P423 L439 G442 C447 L448 L589 L616I421-L444 HydrophobicContact CG2-CD1 4.26Å; I421-L444 HydrophobicContact CG2-CD2 3.91Å; I421-L444 HydrophobicContact CG2-CG 4.42Å; P423-L444 HydrophobicContact CB-CD2 3.95Å; L439-L444 HydrophobicContact CD1-CD2 4.08Å; L439-L444 HydrophobicContact CD1-CG 4.3Å; L439-L444 HydrophobicContact CD2-CD2 4.31Å; G442-L444 VanDerWaalsContact C-N 3.25Å; G442-L444 PolarHBondContact O-N 3.5Å; G442-L444 VanDerWaalsContact O-N 3.14Å; L444-C447 WeakPolarHBondContact O-CB 3.34Å; L444-C447 PolarHBondContact O-N 3.37Å; L444-L448 WeakPolarHBondContact O-CG 3.26Å; L444-L448 PolarHBondContact O-N 2.97Å; L444-L589 HydrophobicContact CD1-CD1 3.73Å; L444-L616 HydrophobicContact CD1-CB 4.06Å
445M92.3Very high87.2Confident3 Ų332.6 Ų32.62%0.01518%0.18CC..Hα-helixtrans-66.1-42178.3-170.756164.500112L439 G442 C447 L448 A449 T474 W476L439-M445 HydrophobicContact CB-SD 4.44Å; G442-M445 PolarHBondContact O-N 2.91Å; G442-M445 VanDerWaalsContact O-N 3.12Å; M445-C447 VanDerWaalsContact C-N 3.29Å; M445-C447 PolarHBondContact O-N 2.99Å; M445-L448 PolarHBondContact O-N 3.06Å; M445-L448 HydrophobicContact SD-CD1 4.19Å; M445-A449 WeakPolarHBondContact O-CB 3.47Å; M445-A449 PolarHBondContact O-N 3.26Å; M445-T474 HydrophobicContact CE-CG2 4.1Å; M445-T474 WeakPolarHBondContact CE-O 3.49Å; M445-T474 HydrophobicContact SD-CG2 4.01Å; M445-W476 VanDerWaalsContact CE-NE1 3.34Å; M445-W476 HydrophobicContact CG-CZ2 4.04Å
446E92.7Very high86.8Confident2 Ų231 Ų311%0.00917%0.174CC..Hα-helixtrans-60.5-38.5174.1-73-175.5-157.600112.1G442 A449 T450 Y519 V521 Y551G442-E446 WeakPolarHBondContact O-CG 3.31Å; G442-E446 PolarHBondContact O-N 3.32Å; E446-A449 PolarHBondContact O-N 3.09Å; E446-T450 VanDerWaalsContact O-CB 3.3Å; E446-T450 WeakPolarHBondContact O-CB 3.3Å; E446-T450 WeakPolarHBondContact O-CG2 2.81Å; E446-T450 PolarHBondContact O-N 2.91Å; E446-T450 PolarHBondContact O-OG1 2.81Å; E446-Y519 PolarHBondContact OE1-OH 2.78Å; E446-V521 HydrophobicContact CG-CG2 4.28Å; E446-Y551 HydrophobicContact CB-CE1 4.25Å; E446-Y551 HydrophobicContact CB-CE2 3.73Å; E446-Y551 WeakPolarHBondContact CB-OH 3.49Å; E446-Y551 PolarHBondContact OE2-OH 3.33Å
447C94.8Very high86.1Confident0 Ų031.6 Ų31.60%018%0.177CC..Hα-helixtrans-61.7-45.1175.8-173.10000111.6P443 L444 M445 C451 Y551 L616P443-C447 VanDerWaalsContact O-CB 3.24Å; P443-C447 WeakPolarHBondContact O-CB 3.34Å; P443-C447 PolarHBondContact O-N 2.7Å; L444-C447 WeakPolarHBondContact O-CB 3.34Å; L444-C447 PolarHBondContact O-N 3.37Å; M445-C447 VanDerWaalsContact C-N 3.29Å; M445-C447 PolarHBondContact O-N 2.99Å; C447-C451 WeakPolarHBondContact O-CA 3.16Å; C447-C451 WeakPolarHBondContact O-CB 3.45Å; C447-C451 PolarHBondContact O-N 3.4Å; C447-Y551 HydrophobicContact CB-CD1 3.54Å; C447-Y551 HydrophobicContact CB-CE1 4.19Å; C447-Y551 HydrophobicContact CB-CG 4.01Å; C447-L616 HydrophobicContact CB-CD1 4.06Å
448L93.3Very high85.5Confident0 Ų039 Ų390%021%0.208CC..Hα-helixtrans-65.5-39.5177.2-60.3166.4000112I421 P436 L439 L444 M445 M470 T474 L589 L619I421-L448 HydrophobicContact CD1-CD1 3.13Å; I421-L448 HydrophobicContact CD1-CD2 3.46Å; I421-L448 VanDerWaalsContact CD1-CD2 3.46Å; I421-L448 HydrophobicContact CD1-CG 3.84Å; P436-L448 HydrophobicContact CB-CD1 4.07Å; L439-L448 HydrophobicContact CD1-CD1 4.08Å; L444-L448 WeakPolarHBondContact O-CG 3.26Å; L444-L448 PolarHBondContact O-N 2.97Å; M445-L448 PolarHBondContact O-N 3.06Å; M445-L448 HydrophobicContact SD-CD1 4.19Å; L448-M470 HydrophobicContact CB-CG 4.33Å; L448-M470 HydrophobicContact CD2-CG 3.67Å; L448-M470 HydrophobicContact CD2-SD 4.08Å; L448-M470 VanDerWaalsContact O-CE 3.22Å; L448-M470 WeakPolarHBondContact O-CE 3.38Å; L448-T474 HydrophobicContact CB-CG2 3.52Å; L448-T474 HydrophobicContact CD1-CG2 4.46Å; L448-L589 HydrophobicContact CD2-CD1 3.8Å; L448-L589 HydrophobicContact CG-CD1 4.46Å; L448-L619 HydrophobicContact CD2-CD1 4.25Å
449A92.2Very high85Confident0 Ų035.1 Ų35.10%021%0.205CC..Hα-helixtrans-76.4-23.6-178.100000113M445 E446 H452 F471 T474 W476 V496M445-A449 WeakPolarHBondContact O-CB 3.47Å; M445-A449 PolarHBondContact O-N 3.26Å; E446-A449 PolarHBondContact O-N 3.09Å; A449-H452 PolarHBondContact O-CD2 3.25Å; A449-H452 PolarHBondContact O-NE2 2.7Å; A449-F471 VanDerWaalsContact O-CD2 3.32Å; A449-F471 WeakPolarHBondContact O-CD2 3.42Å; A449-F471 VanDerWaalsContact O-CE2 3.24Å; A449-F471 WeakPolarHBondContact O-CE2 3.36Å; A449-T474 HydrophobicContact CB-CG2 4.43Å; A449-W476 HydrophobicContact CB-CD2 3.84Å; A449-W476 HydrophobicContact CB-CE3 3.58Å; A449-W476 HydrophobicContact CB-CG 4.28Å; A449-W476 HydrophobicContact CB-CZ3 4.03Å; A449-V496 HydrophobicContact CB-CG2 4.3Å
450T91.9Very high84.7Confident0 Ų038.1 Ų38.10%022%0.224CC..Hα-helixtrans-117.9-27.1-17262.80000114.9E446 H452 V496 V521 I523 T540 Y551E446-T450 VanDerWaalsContact O-CB 3.3Å; E446-T450 WeakPolarHBondContact O-CB 3.3Å; E446-T450 WeakPolarHBondContact O-CG2 2.81Å; E446-T450 PolarHBondContact O-N 2.91Å; E446-T450 PolarHBondContact O-OG1 2.81Å; T450-H452 PolarHBondContact O-N 2.89Å; T450-V496 HydrophobicContact CG2-CG2 3.49Å; T450-V496 VanDerWaalsContact CG2-CG2 3.49Å; T450-V521 HydrophobicContact CG2-CB 4.16Å; T450-V521 HydrophobicContact CG2-CG1 3.68Å; T450-I523 HydrophobicContact CG2-CG1 4.26Å; T450-T540 HydrophobicContact CG2-CG2 3.88Å; T450-Y551 WeakPolarHBondContact OG1-CD2 3.41Å
451C89.9Confident84.6Confident0 Ų032.8 Ų32.80%020%0.196CC..SBendtrans-8358.6-174.6-158.20000111C447 M470 V538 K553C447-C451 WeakPolarHBondContact O-CA 3.16Å; C447-C451 WeakPolarHBondContact O-CB 3.45Å; C447-C451 PolarHBondContact O-N 3.4Å; C451-M470 WeakPolarHBondContact O-CE 3.42Å; C451-V538 HydrophobicContact CB-CG2 4Å; C451-K553 HydrophobicContact CB-CD 4.43Å; C451-K553 WeakPolarHBondContact O-CD 3.27Å; C451-K553 WeakPolarHBondContact O-CE 3.46Å; C451-K553 PolarHBondContact O-NZ 3.49Å
452H88.7Confident84.4Confident1 Ų129.7 Ų29.71%0.00518%0.181CC..  trans-139164.6-179.268.667.3000111.5A449 T450 L454 D467 M470 F471 Q526A449-H452 PolarHBondContact O-CD2 3.25Å; A449-H452 PolarHBondContact O-NE2 2.7Å; T450-H452 PolarHBondContact O-N 2.89Å; H452-L454 HydrophobicContact CB-CD1 4.36Å; H452-L454 HydrophobicContact CB-CG 4.09Å; H452-L454 WeakPolarHBondContact ND1-CB 3.41Å; H452-L454 PolarHBondContact ND1-N 3.06Å; H452-D467 WeakPolarHBondContact CA-OD2 3.25Å; H452-D467 HydrophobicContact CB-CB 3.91Å; H452-M470 HydrophobicContact CB-CE 4.02Å; H452-F471 AromaticContact CD2-CD2 3.41Å; H452-F471 VanDerWaalsContact CD2-CD2 3.41Å; H452-F471 WeakPolarHBondContact CD2-CD2 3.45Å; H452-F471 AromaticContact NE2-CD2 3.38Å; H452-F471 WeakPolarHBondContact NE2-CD2 3.38Å; H452-F471 AromaticContact NE2-CE2 3.56Å; H452-Q526 PolarHBondContact O-NE2 3.19Å
453S81.4Confident83.8Confident44 Ų4429.2 Ų29.231%0.30818%0.175SC..  trans-109.914.5178.3590000113.5D467S453-D467 WeakPolarHBondContact CB-OD2 3.12Å; S453-D467 PolarHBondContact N-OD2 3.06Å; S453-D467 PolarHBondContact OG-OD2 3.36Å
454L84.5Confident83.1Confident4 Ų430.9 Ų30.92%0.02118%0.182CC..  trans-62.6149.1177.5-51.8175.2000113H452 L461 D467 L468 F471 L478H452-L454 HydrophobicContact CB-CD1 4.36Å; H452-L454 HydrophobicContact CB-CG 4.09Å; H452-L454 WeakPolarHBondContact ND1-CB 3.41Å; H452-L454 PolarHBondContact ND1-N 3.06Å; L454-L461 HydrophobicContact CB-CD1 3.83Å; L454-L461 HydrophobicContact CB-CG 4.25Å; L454-L461 HydrophobicContact CD1-CD1 4.11Å; L454-L461 HydrophobicContact CD1-CD2 3.77Å; L454-L461 HydrophobicContact CD1-CG 3.97Å; L454-D467 HydrophobicContact CD2-CB 3.79Å; L454-D467 HydrophobicContact CG-CB 4.03Å; L454-L468 HydrophobicContact CD1-CD1 4.37Å; L454-L468 HydrophobicContact CD2-CB 3.99Å; L454-L468 HydrophobicContact CD2-CD1 4.18Å; L454-F471 HydrophobicContact CD1-CB 3.44Å; L454-F471 VanDerWaalsContact CD1-CB 3.44Å; L454-F471 HydrophobicContact CD1-CD1 4.14Å; L454-F471 HydrophobicContact CD1-CG 3.82Å; L454-L478 HydrophobicContact CB-CD2 4.26Å
455T78Confident82.2Confident15 Ų1531.6 Ų31.69%0.09219%0.188CC..EExtended strand (participates in β ladder)trans-137160.8177.259.20000110.3S462 E480T455-S462 PolarHBondContact N-O 3.42Å; T455-S462 PolarHBondContact O-N 3.05Å; T455-S462 PolarHBondContact OG1-O 3.39Å; T455-E480 WeakPolarHBondContact CA-OE1 3.17Å
456L78.6Confident81.7Confident55 Ų5532 Ų3229%0.28819%0.19SC..EExtended strand (participates in β ladder)trans-97.1117.3174.9-151.280.9000109.3E480L456-E480 HydrophobicContact CB-CG 4.37Å; L456-E480 WeakPolarHBondContact CB-OE2 3.49Å; L456-E480 PolarHBondContact N-OE2 2.63Å
457I69.5Low81.4Confident16 Ų1632.2 Ų32.28%0.08219%0.191CC..EExtended strand (participates in β ladder)trans-114.4113.5175.9-59.1174.9000107.2I229 P241 I274 G459 V460I229-I457 HydrophobicContact CG2-CD1 3.61Å; I229-I457 HydrophobicContact CG2-CG1 4.28Å; P241-I457 HydrophobicContact CB-CD1 3.61Å; P241-I457 HydrophobicContact CG-CD1 3.64Å; I274-I457 HydrophobicContact CD1-CD1 4.14Å; I274-I457 HydrophobicContact CD1-CG2 4.43Å; I274-I457 HydrophobicContact CG2-CG2 3.8Å; I457-G459 PolarHBondContact O-N 2.9Å; I457-G459 VanDerWaalsContact O-N 3.09Å; I457-V460 PolarHBondContact N-O 2.96Å; I457-V460 PolarHBondContact O-N 3.16Å
458E70.9Confident81Confident188 Ų18834 Ų3488%0.87920%0.201SC*.THydrogen-bonded Turntrans52.132.2-176.6-57.7-175.3167.400113.6
459G71.7Confident80.6Confident55 Ų5537.1 Ų37.157%0.56721%0.214SC*.THydrogen-bonded Turntrans87.3-5.8-177.300000115.3I457I457-G459 PolarHBondContact O-N 2.9Å; I457-G459 VanDerWaalsContact O-N 3.09Å
460V77.1Confident80.5Confident97 Ų9737.1 Ų37.159%0.58821%0.214SC*.EExtended strand (participates in β ladder)trans-101.2128.1179.4-176.50000110.5I457 S462I457-V460 PolarHBondContact N-O 2.96Å; I457-V460 PolarHBondContact O-N 3.16Å; V460-S462 PolarHBondContact O-N 3.48Å; V460-S462 PolarHBondContact O-OG 2.81Å
461L80.9Confident80.5Confident36 Ų3637.4 Ų37.419%0.18822%0.216CC..EExtended strand (participates in β ladder)trans-65.4120.3176.8-166.470.4000110.2L454 L468 F471 L478L454-L461 HydrophobicContact CB-CD1 3.83Å; L454-L461 HydrophobicContact CB-CG 4.25Å; L454-L461 HydrophobicContact CD1-CD1 4.11Å; L454-L461 HydrophobicContact CD1-CD2 3.77Å; L454-L461 HydrophobicContact CD1-CG 3.97Å; L461-L468 HydrophobicContact CB-CD1 4.13Å; L461-L468 HydrophobicContact CD2-CD1 3.59Å; L461-L468 HydrophobicContact CG-CD1 3.73Å; L461-F471 HydrophobicContact CD2-CD1 3.5Å; L461-F471 HydrophobicContact CD2-CE1 3.94Å; L461-F471 HydrophobicContact CD2-CG 4.47Å; L461-L478 HydrophobicContact CD1-CB 4.02Å; L461-L478 HydrophobicContact CD1-CD2 3.46Å; L461-L478 VanDerWaalsContact CD1-CD2 3.46Å; L461-L478 HydrophobicContact CD1-CG 4.37Å
462S74.3Confident80.4Confident22 Ų2242 Ų4215%0.15424%0.237CC..EExtended strand (participates in β ladder)trans-135136.3-174.7-62.80000111.1T455 V460T455-S462 PolarHBondContact N-O 3.42Å; T455-S462 PolarHBondContact O-N 3.05Å; T455-S462 PolarHBondContact OG1-O 3.39Å; V460-S462 PolarHBondContact O-N 3.48Å; V460-S462 PolarHBondContact O-OG 2.81Å
463G74.7Confident80.4Confident8 Ų843 Ų438%0.08224%0.244CC..SBendtrans158.7-168.9177.300000111.6V240V240-G463 WeakPolarHBondContact CG1-O 3.4Å
464D75.4Confident80.8Confident79 Ų7941 Ų4142%0.42223%0.23SC..  trans-49.8130.9-174.3-173.8-62.4000111.3L466 D467 L468D464-L466 PolarHBondContact O-N 3.16Å; D464-L466 VanDerWaalsContact O-N 3.15Å; D464-L466 WeakPolarHBondContact OD1-CB 3.11Å; D464-L466 PolarHBondContact OD1-N 3.47Å; D464-D467 HydrophobicContact CB-CB 4.08Å; D464-D467 WeakPolarHBondContact O-CA 3.23Å; D464-D467 WeakPolarHBondContact O-CB 3.24Å; D464-D467 PolarHBondContact O-N 3.01Å; D464-L468 WeakPolarHBondContact O-CB 3.48Å; D464-L468 PolarHBondContact O-N 2.86Å
465P72.8Confident81Confident39 Ų3946 Ų4625%0.25325%0.252SS..Hα-helixtrans-55.9-33.6-177-2735.2000114V240 L468 K469V240-P465 HydrophobicContact CG2-CG 4.16Å; P465-L468 PolarHBondContact O-N 2.97Å; P465-K469 WeakPolarHBondContact O-CB 3.43Å; P465-K469 WeakPolarHBondContact O-CG 3.45Å; P465-K469 PolarHBondContact O-N 2.97Å
466L81.9Confident81.6Confident10 Ų1046 Ų465%0.05225%0.25CC..Hα-helixtrans-64.1-49.1175.7-176154.7000110.6L416 D464 L468 K469 M470 L587 M621L416-L466 HydrophobicContact CD1-CB 4.22Å; D464-L466 PolarHBondContact O-N 3.16Å; D464-L466 VanDerWaalsContact O-N 3.15Å; D464-L466 WeakPolarHBondContact OD1-CB 3.11Å; D464-L466 PolarHBondContact OD1-N 3.47Å; L466-L468 VanDerWaalsContact C-N 3.29Å; L466-L468 PolarHBondContact O-N 2.98Å; L466-K469 PolarHBondContact O-N 3.16Å; L466-M470 WeakPolarHBondContact O-CB 3.48Å; L466-M470 PolarHBondContact O-N 3.3Å; L466-L587 HydrophobicContact CD1-CD1 3.88Å; L466-L587 HydrophobicContact CD2-CD1 3.73Å; L466-L587 HydrophobicContact CG-CD1 4.26Å; L466-M621 HydrophobicContact CD1-CE 3.6Å; L466-M621 HydrophobicContact CD1-SD 4.24Å; L466-M621 HydrophobicContact CD2-CE 4.38Å; L466-M621 HydrophobicContact CG-CE 3.71Å; L466-M621 HydrophobicContact CG-SD 3.75Å
467D87.2Confident82.1Confident7 Ų747.1 Ų47.14%0.03725%0.254CS..Hα-helixtrans-61.1-42.8177.3-777.2000110.6H452 S453 L454 D464 M470 F471 K553H452-D467 WeakPolarHBondContact CA-OD2 3.25Å; H452-D467 HydrophobicContact CB-CB 3.91Å; S453-D467 WeakPolarHBondContact CB-OD2 3.12Å; S453-D467 PolarHBondContact N-OD2 3.06Å; S453-D467 PolarHBondContact OG-OD2 3.36Å; L454-D467 HydrophobicContact CD2-CB 3.79Å; L454-D467 HydrophobicContact CG-CB 4.03Å; D464-D467 HydrophobicContact CB-CB 4.08Å; D464-D467 WeakPolarHBondContact O-CA 3.23Å; D464-D467 WeakPolarHBondContact O-CB 3.24Å; D464-D467 PolarHBondContact O-N 3.01Å; D467-M470 PolarHBondContact O-N 3.41Å; D467-F471 WeakPolarHBondContact O-CB 3.37Å; D467-F471 PolarHBondContact O-N 2.82Å; D467-K553 WeakPolarHBondContact OD1-CE 3.47Å; D467-K553 IonicContact OD1-NZ 2.85Å; D467-K553 PolarHBondContact OD1-NZ 3Å
468L85.7Confident82.9Confident37 Ų3747.1 Ų47.119%0.19425%0.254CS..Hα-helixtrans-62.4-48.9-178.5-174.769.7000110.5L454 L461 D464 P465 L466 F471 Q472L454-L468 HydrophobicContact CD1-CD1 4.37Å; L454-L468 HydrophobicContact CD2-CB 3.99Å; L454-L468 HydrophobicContact CD2-CD1 4.18Å; L461-L468 HydrophobicContact CB-CD1 4.13Å; L461-L468 HydrophobicContact CD2-CD1 3.59Å; L461-L468 HydrophobicContact CG-CD1 3.73Å; D464-L468 WeakPolarHBondContact O-CB 3.48Å; D464-L468 PolarHBondContact O-N 2.86Å; P465-L468 PolarHBondContact O-N 2.97Å; L466-L468 VanDerWaalsContact C-N 3.29Å; L466-L468 PolarHBondContact O-N 2.98Å; L468-F471 PolarHBondContact O-N 3.48Å; L468-Q472 HydrophobicContact CG-CG 4.48Å; L468-Q472 VanDerWaalsContact O-CB 3.24Å; L468-Q472 WeakPolarHBondContact O-CB 3.44Å; L468-Q472 WeakPolarHBondContact O-CG 3.33Å; L468-Q472 PolarHBondContact O-N 3.42Å
469K85.3Confident83.4Confident67 Ų6740 Ų4029%0.29122%0.222SC..Hα-helixtrans-69.9-39.5-178.9-71.9-88.5-175.7161.90112.2L416 D417 P465 L466 S473L416-K469 WeakPolarHBondContact O-CD 3.34Å; L416-K469 WeakPolarHBondContact O-CG 3.31Å; D417-K469 IonicContact OD1-NZ 3.4Å; D417-K469 PolarHBondContact OD1-NZ 3.08Å; P465-K469 WeakPolarHBondContact O-CB 3.43Å; P465-K469 WeakPolarHBondContact O-CG 3.45Å; P465-K469 PolarHBondContact O-N 2.97Å; L466-K469 PolarHBondContact O-N 3.16Å; K469-S473 WeakPolarHBondContact O-CB 3.32Å; K469-S473 PolarHBondContact O-N 3.07Å
470M90.7Very high83.5Confident0 Ų039.7 Ų39.70%021%0.205CC..Hα-helixtrans-59.1-50.3172.1-174.7-169.168.800110.7L448 C451 H452 L466 D467 S473 K553 L619L448-M470 HydrophobicContact CB-CG 4.33Å; L448-M470 HydrophobicContact CD2-CG 3.67Å; L448-M470 HydrophobicContact CD2-SD 4.08Å; L448-M470 VanDerWaalsContact O-CE 3.22Å; L448-M470 WeakPolarHBondContact O-CE 3.38Å; C451-M470 WeakPolarHBondContact O-CE 3.42Å; H452-M470 HydrophobicContact CB-CE 4.02Å; L466-M470 WeakPolarHBondContact O-CB 3.48Å; L466-M470 PolarHBondContact O-N 3.3Å; D467-M470 PolarHBondContact O-N 3.41Å; M470-S473 PolarHBondContact O-N 3.35Å; M470-S473 PolarHBondContact O-OG 3.06Å; M470-K553 HydrophobicContact CE-CD 4.35Å; M470-K553 HydrophobicContact SD-CD 3.9Å; M470-K553 PolarHBondContact SD-NZ 3.45Å; M470-K553 VanDerWaalsContact SD-NZ 3.42Å; M470-L619 HydrophobicContact CB-CD2 4.42Å; M470-L619 HydrophobicContact CG-CD2 3.89Å; M470-L619 HydrophobicContact SD-CD2 3.93Å
471F91.3Very high82.6Confident5 Ų541.6 Ų41.62%0.02221%0.207CC..Hα-helixtrans-66.5-45178.9-174.4-95.8000112.2A449 H452 L454 L461 D467 L468 S473 T474 W476 L478 V496A449-F471 VanDerWaalsContact O-CD2 3.32Å; A449-F471 WeakPolarHBondContact O-CD2 3.42Å; A449-F471 VanDerWaalsContact O-CE2 3.24Å; A449-F471 WeakPolarHBondContact O-CE2 3.36Å; H452-F471 AromaticContact CD2-CD2 3.41Å; H452-F471 VanDerWaalsContact CD2-CD2 3.41Å; H452-F471 WeakPolarHBondContact CD2-CD2 3.45Å; H452-F471 AromaticContact NE2-CD2 3.38Å; H452-F471 WeakPolarHBondContact NE2-CD2 3.38Å; H452-F471 AromaticContact NE2-CE2 3.56Å; L454-F471 HydrophobicContact CD1-CB 3.44Å; L454-F471 VanDerWaalsContact CD1-CB 3.44Å; L454-F471 HydrophobicContact CD1-CD1 4.14Å; L454-F471 HydrophobicContact CD1-CG 3.82Å; L461-F471 HydrophobicContact CD2-CD1 3.5Å; L461-F471 HydrophobicContact CD2-CE1 3.94Å; L461-F471 HydrophobicContact CD2-CG 4.47Å; D467-F471 WeakPolarHBondContact O-CB 3.37Å; D467-F471 PolarHBondContact O-N 2.82Å; L468-F471 PolarHBondContact O-N 3.48Å; F471-S473 PolarHBondContact O-N 3.25Å; F471-T474 WeakPolarHBondContact O-CB 3.05Å; F471-T474 PolarHBondContact O-N 3.33Å; F471-T474 PolarHBondContact O-OG1 3.25Å; F471-W476 WeakPolarHBondContact CE1-O 3.23Å; F471-W476 HydrophobicContact CE2-CB 4.31Å; F471-W476 HydrophobicContact CZ-CB 4.15Å; F471-W476 WeakPolarHBondContact CZ-O 3.48Å; F471-L478 HydrophobicContact CE1-CB 4.09Å; F471-L478 HydrophobicContact CZ-CB 3.75Å; F471-V496 HydrophobicContact CE2-CB 4.38Å; F471-V496 HydrophobicContact CE2-CG1 3.81Å; F471-V496 HydrophobicContact CZ-CG1 4.26Å
472Q88.8Confident81Confident97 Ų9744.9 Ų44.945%0.45324%0.24SC..Hα-helixtrans-58.4-34.9176.7-77.6174.9-10.100112.3L468 T474 K475L468-Q472 HydrophobicContact CG-CG 4.48Å; L468-Q472 VanDerWaalsContact O-CB 3.24Å; L468-Q472 WeakPolarHBondContact O-CB 3.44Å; L468-Q472 WeakPolarHBondContact O-CG 3.33Å; L468-Q472 PolarHBondContact O-N 3.42Å; Q472-T474 PolarHBondContact O-N 3.27Å; Q472-K475 PolarHBondContact O-N 3.01Å; Q472-K475 VanDerWaalsContact O-N 3.1Å
473S88.1Confident79.5Confident21 Ų2147.5 Ų47.515%0.14726%0.263CS..Hα-helixtrans-64.1-23.2176.778.20000113.4S437 K469 M470 F471S437-S473 PolarHBondContact N-O 3Å; K469-S473 WeakPolarHBondContact O-CB 3.32Å; K469-S473 PolarHBondContact O-N 3.07Å; M470-S473 PolarHBondContact O-N 3.35Å; M470-S473 PolarHBondContact O-OG 3.06Å; F471-S473 PolarHBondContact O-N 3.25Å
474T90.4Very high78Confident2 Ų253.9 Ų53.91%0.01230%0.295CS..Hα-helixtrans-76.9-24.217673.10000112.7M445 L448 A449 F471 Q472 W476M445-T474 HydrophobicContact CE-CG2 4.1Å; M445-T474 WeakPolarHBondContact CE-O 3.49Å; M445-T474 HydrophobicContact SD-CG2 4.01Å; L448-T474 HydrophobicContact CB-CG2 3.52Å; L448-T474 HydrophobicContact CD1-CG2 4.46Å; A449-T474 HydrophobicContact CB-CG2 4.43Å; F471-T474 WeakPolarHBondContact O-CB 3.05Å; F471-T474 PolarHBondContact O-N 3.33Å; F471-T474 PolarHBondContact O-OG1 3.25Å; Q472-T474 PolarHBondContact O-N 3.27Å; T474-W476 VanDerWaalsContact O-CD1 3.26Å; T474-W476 PolarHBondContact O-N 3.49Å; T474-W476 WeakPolarHBondContact OG1-CB 3.33Å; T474-W476 PolarHBondContact OG1-N 2.68Å; T474-W476 VanDerWaalsContact OG1-N 3.15Å
475K88.5Confident76.6Confident110 Ų11056 Ų5648%0.47830%0.303SS..THydrogen-bonded Turntrans59.219.1-169.2-55.9173.8-175.8148.90114.1E435 S437 Q472 P499E435-K475 IonicContact OE1-NZ 2.9Å; E435-K475 PolarHBondContact OE1-NZ 2.92Å; S437-K475 WeakPolarHBondContact OG-CE 3.48Å; S437-K475 PolarHBondContact OG-NZ 3.23Å; Q472-K475 PolarHBondContact O-N 3.01Å; Q472-K475 VanDerWaalsContact O-N 3.1Å; K475-P499 WeakPolarHBondContact O-CD 3.39Å; K475-P499 WeakPolarHBondContact O-CG 3.24Å
476W90.5Very high75.6Confident15 Ų1559.6 Ų59.66%0.05733%0.327CS..PPolyproline II helixtrans-79.6161.2173.8-75.334.1000111.6M445 A449 F471 T474 V496 R497 P498 Y519 V521M445-W476 VanDerWaalsContact CE-NE1 3.34Å; M445-W476 HydrophobicContact CG-CZ2 4.04Å; A449-W476 HydrophobicContact CB-CD2 3.84Å; A449-W476 HydrophobicContact CB-CE3 3.58Å; A449-W476 HydrophobicContact CB-CG 4.28Å; A449-W476 HydrophobicContact CB-CZ3 4.03Å; F471-W476 WeakPolarHBondContact CE1-O 3.23Å; F471-W476 HydrophobicContact CE2-CB 4.31Å; F471-W476 HydrophobicContact CZ-CB 4.15Å; F471-W476 WeakPolarHBondContact CZ-O 3.48Å; T474-W476 VanDerWaalsContact O-CD1 3.26Å; T474-W476 PolarHBondContact O-N 3.49Å; T474-W476 WeakPolarHBondContact OG1-CB 3.33Å; T474-W476 PolarHBondContact OG1-N 2.68Å; T474-W476 VanDerWaalsContact OG1-N 3.15Å; W476-V496 HydrophobicContact CE3-CB 4.15Å; W476-V496 HydrophobicContact CE3-CG2 4Å; W476-V496 HydrophobicContact CZ3-CG2 4.12Å; W476-R497 WeakPolarHBondContact CA-O 3.3Å; W476-R497 VanDerWaalsContact CB-O 3.3Å; W476-R497 WeakPolarHBondContact CB-O 3.34Å; W476-P498 HydrophobicContact CD2-CB 4.36Å; W476-P498 HydrophobicContact CZ2-CB 4.25Å; W476-Y519 AromaticContact CH2-CD1 3.98Å; W476-Y519 HydrophobicContact CH2-CD1 3.98Å; W476-Y519 AromaticContact CH2-CE1 3.84Å; W476-Y519 HydrophobicContact CH2-CE1 3.84Å; W476-V521 HydrophobicContact CZ3-CG2 4.26Å
477E87.9Confident74.6Confident79 Ų7964.6 Ų64.637%0.36935%0.349SS..EExtended strand (participates in β ladder)trans-103.8133.9177.9-67175.6-179.100110.2V496 R497E477-V496 WeakPolarHBondContact O-CA 3.49Å; E477-R497 HydrophobicContact CB-CG 4.24Å; E477-R497 PolarHBondContact N-O 2.93Å; E477-R497 PolarHBondContact O-N 3.17Å; E477-R497 IonicContact OE2-CZ 2.82Å; E477-R497 IonicContact OE2-NE 3.56Å; E477-R497 PolarHBondContact OE2-NE 2.87Å; E477-R497 IonicContact OE2-NH2 3.06Å; E477-R497 PolarHBondContact OE2-NH2 3Å
478L87.3Confident73.2Confident16 Ų1664.7 Ų64.78%0.08435%0.349CS..EExtended strand (participates in β ladder)trans-98126.2172179.569.3000109L454 L461 F471 A494 V496L454-L478 HydrophobicContact CB-CD2 4.26Å; L461-L478 HydrophobicContact CD1-CB 4.02Å; L461-L478 HydrophobicContact CD1-CD2 3.46Å; L461-L478 VanDerWaalsContact CD1-CD2 3.46Å; L461-L478 HydrophobicContact CD1-CG 4.37Å; F471-L478 HydrophobicContact CE1-CB 4.09Å; F471-L478 HydrophobicContact CZ-CB 3.75Å; L478-A494 HydrophobicContact CD1-CB 4.09Å; L478-V496 HydrophobicContact CB-CG1 4.47Å; L478-V496 HydrophobicContact CD1-CG1 3.46Å; L478-V496 VanDerWaalsContact CD1-CG1 3.46Å
479I82Confident72Confident39 Ų3971.1 Ų71.120%0.238%0.378CS..EExtended strand (participates in β ladder)trans-120.2123.4-179.9-56.8171.7000108.5E481 I495 R497I479-E481 HydrophobicContact CG2-CG 3.88Å; I479-I495 PolarHBondContact N-O 2.76Å; I479-I495 PolarHBondContact O-N 2.8Å; I479-R497 HydrophobicContact CD1-CG 4.21Å
480E72.9Confident71.2Confident48 Ų4869.5 Ų69.522%0.22437%0.371CS..  trans-112.390.1172.1-65.7-174.414300108R277 T455 L456 A494R277-E480 IonicContact CZ-OE1 3.07Å; R277-E480 IonicContact CZ-OE2 3.28Å; R277-E480 IonicContact NH1-OE1 2.69Å; R277-E480 PolarHBondContact NH1-OE1 2.86Å; R277-E480 IonicContact NH1-OE2 3.54Å; R277-E480 IonicContact NH2-OE1 2.69Å; R277-E480 PolarHBondContact NH2-OE1 3.03Å; R277-E480 IonicContact NH2-OE2 2.7Å; R277-E480 PolarHBondContact NH2-OE2 2.91Å; T455-E480 WeakPolarHBondContact CA-OE1 3.17Å; L456-E480 HydrophobicContact CB-CG 4.37Å; L456-E480 WeakPolarHBondContact CB-OE2 3.49Å; L456-E480 PolarHBondContact N-OE2 2.63Å; E480-A494 HydrophobicContact CG-CB 4.32Å
481E58.7Low70Confident136 Ų13671.8 Ų71.864%0.63639%0.391SS*.  trans-93.8125.6173.1-81.4-179.8-179.600110.5I479 A483I479-E481 HydrophobicContact CG2-CG 3.88Å; E481-A483 PolarHBondContact O-N 2.93Å
482A47.2Very low68.9Low106 Ų10672.8 Ų72.888%0.87640%0.397SS*.SBendtrans-74.194.6172.500000109.6
483A41.8Very low68Low77 Ų7771.3 Ų71.364%0.63640%0.396SS*.  trans62.361.115700000118E481E481-A483 PolarHBondContact O-N 2.93Å
484D43.3Very low67.6Low142 Ų14270.7 Ų70.776%0.75939%0.392SS*.  trans-112.6107.4149.6-97.2-23.3000110.7C486D484-C486 PolarHBondContact O-N 3.27Å
485H46.5Very low67.5Low124 Ų12472 Ų7257%0.57440%0.399SS*.  trans-7018.2-167.7-86.4-74.1000116.6
486C52Low67.5Low114 Ų11466.8 Ų66.877%0.7738%0.376SS*.SBendtrans-87.7-31.6-159.1-74.50000116.6D484D484-C486 PolarHBondContact O-N 3.27Å
487K59.5Low67.3Low115 Ų11569.9 Ų69.950%0.539%0.388SS..SBendtrans-92.6-41.2-169.5-66.3-168.3-169.9178.60115.8E520 L543K487-E520 VanDerWaalsContact CD-OE2 3.31Å; K487-E520 WeakPolarHBondContact CD-OE2 3.43Å; K487-E520 VanDerWaalsContact NZ-CD 3.28Å; K487-E520 IonicContact NZ-OE1 2.8Å; K487-E520 PolarHBondContact NZ-OE1 3.49Å; K487-E520 IonicContact NZ-OE2 2.96Å; K487-E520 PolarHBondContact NZ-OE2 3.36Å; K487-L543 HydrophobicContact CB-CD1 3.96Å
488F59.7Low67.2Low9 Ų967.9 Ų67.94%0.03938%0.381CS..SBendtrans-97.1-2.8-173-74.7-84.6000114.5M490 V492 I495 E520 R541 L543F488-M490 HydrophobicContact CB-CG 4.1Å; F488-M490 WeakPolarHBondContact O-CG 3.48Å; F488-M490 PolarHBondContact O-N 2.93Å; F488-V492 HydrophobicContact CB-CG2 3.7Å; F488-V492 HydrophobicContact CD1-CG2 4.41Å; F488-V492 HydrophobicContact CD2-CB 4.48Å; F488-V492 HydrophobicContact CD2-CG2 4.02Å; F488-V492 HydrophobicContact CG-CG2 3.79Å; F488-I495 HydrophobicContact CD2-CD1 4.25Å; F488-I495 HydrophobicContact CE2-CD1 3.82Å; F488-I495 HydrophobicContact CE2-CG1 3.98Å; F488-I495 HydrophobicContact CE2-CG2 4.49Å; F488-E520 HydrophobicContact CZ-CB 4.29Å; F488-R541 WeakPolarHBondContact CE1-O 3.47Å; F488-R541 PolarHBondContact O-NH1 3.4Å; F488-L543 HydrophobicContact CD1-CD1 3.83Å; F488-L543 HydrophobicContact CD2-CD1 4.09Å; F488-L543 HydrophobicContact CE1-CB 4.04Å; F488-L543 HydrophobicContact CE1-CD1 3.63Å; F488-L543 HydrophobicContact CE1-CG 4.47Å; F488-L543 HydrophobicContact CE2-CD1 3.9Å; F488-L543 HydrophobicContact CG-CD1 4.05Å; F488-L543 HydrophobicContact CZ-CB 4.11Å; F488-L543 HydrophobicContact CZ-CD1 3.68Å
489E60.6Low66.8Low171 Ų17170.3 Ų70.380%0.79940%0.398SS*.SBendtrans59.97.3-172.2-53175.4159.900114.5
490M68Low65.9Low33 Ų3372.1 Ų72.116%0.16341%0.414CS..SBendtrans-147.9159.7-176.463.7-167.254.600110.7F488 V492 L524 F548 Y598F488-M490 HydrophobicContact CB-CG 4.1Å; F488-M490 WeakPolarHBondContact O-CG 3.48Å; F488-M490 PolarHBondContact O-N 2.93Å; M490-V492 HydrophobicContact CG-CG2 4.09Å; M490-V492 PolarHBondContact O-N 3.33Å; M490-L524 HydrophobicContact CG-CD2 4.36Å; M490-L524 HydrophobicContact SD-CD2 3.5Å; M490-L524 VanDerWaalsContact SD-CD2 3.5Å; M490-F548 HydrophobicContact CE-CZ 4.29Å; M490-F548 HydrophobicContact SD-CE1 4.09Å; M490-F548 HydrophobicContact SD-CZ 4.2Å; M490-Y598 HydrophobicContact CB-CD2 4.08Å; M490-Y598 HydrophobicContact CB-CE1 4.35Å; M490-Y598 HydrophobicContact CB-CE2 3.91Å; M490-Y598 HydrophobicContact CB-CG 4.37Å; M490-Y598 HydrophobicContact CE-CD2 4.17Å; M490-Y598 HydrophobicContact CE-CG 4.34Å; M490-Y598 HydrophobicContact CG-CD2 4.2Å; M490-Y598 HydrophobicContact CG-CE2 4.09Å; M490-Y598 HydrophobicContact SD-CD2 3.5Å; M490-Y598 VanDerWaalsContact SD-CD2 3.5Å; M490-Y598 HydrophobicContact SD-CE2 3.91Å; M490-Y598 HydrophobicContact SD-CG 4.24Å
491A64.6Low64.8Low49 Ų4980.2 Ų80.241%0.40545%0.449SS..  trans-70.6114176.900000110.2Y598A491-Y598 PolarHBondContact O-OH 3.33Å
492V68.4Low63.7Low25 Ų2579 Ų7915%0.15245%0.451CS..  trans-115.4111.3176.41780000108.1F488 M490 A494 I495 G522F488-V492 HydrophobicContact CB-CG2 3.7Å; F488-V492 HydrophobicContact CD1-CG2 4.41Å; F488-V492 HydrophobicContact CD2-CB 4.48Å; F488-V492 HydrophobicContact CD2-CG2 4.02Å; F488-V492 HydrophobicContact CG-CG2 3.79Å; M490-V492 HydrophobicContact CG-CG2 4.09Å; M490-V492 PolarHBondContact O-N 3.33Å; V492-A494 VanDerWaalsContact C-N 3.34Å; V492-A494 VanDerWaalsContact CG1-O 3.28Å; V492-A494 WeakPolarHBondContact CG1-O 3.24Å; V492-A494 PolarHBondContact O-N 2.88Å; V492-I495 HydrophobicContact CG1-CG1 4Å; V492-G522 VanDerWaalsContact CG1-CA 3.43Å
493P69.7Low63.1Low66 Ų6677.5 Ų77.543%0.42943%0.434SS..SBendtrans-61-35.3-177.3-27.332.7000115.6I523P493-I523 WeakPolarHBondContact CD-O 3.29Å
494A81Confident62.8Low8 Ų879.2 Ų79.27%0.06643%0.431CS..EExtended strand (participates in β ladder)trans-148142.5-176.800000110.6L478 E480 V492 I523L478-A494 HydrophobicContact CD1-CB 4.09Å; E480-A494 HydrophobicContact CG-CB 4.32Å; V492-A494 VanDerWaalsContact C-N 3.34Å; V492-A494 VanDerWaalsContact CG1-O 3.28Å; V492-A494 WeakPolarHBondContact CG1-O 3.24Å; V492-A494 PolarHBondContact O-N 2.88Å; A494-I523 PolarHBondContact O-N 3.24Å
495I86.4Confident62.2Low30 Ų3081 Ų8115%0.15443%0.433CS..EExtended strand (participates in β ladder)trans-121.6136.6179.2-60.5166.6000107.9I479 F488 V492 E520I479-I495 PolarHBondContact N-O 2.76Å; I479-I495 PolarHBondContact O-N 2.8Å; F488-I495 HydrophobicContact CD2-CD1 4.25Å; F488-I495 HydrophobicContact CE2-CD1 3.82Å; F488-I495 HydrophobicContact CE2-CG1 3.98Å; F488-I495 HydrophobicContact CE2-CG2 4.49Å; V492-I495 HydrophobicContact CG1-CG1 4Å; I495-E520 HydrophobicContact CG2-CB 3.9Å; I495-E520 HydrophobicContact CG2-CG 4.33Å
496V89.3Confident61.6Low0 Ų084.7 Ų84.70%045%0.45CS..EExtended strand (participates in β ladder)trans-113.9142.9170-61.60000110.1A449 T450 F471 W476 E477 L478 V521 I523A449-V496 HydrophobicContact CB-CG2 4.3Å; T450-V496 HydrophobicContact CG2-CG2 3.49Å; T450-V496 VanDerWaalsContact CG2-CG2 3.49Å; F471-V496 HydrophobicContact CE2-CB 4.38Å; F471-V496 HydrophobicContact CE2-CG1 3.81Å; F471-V496 HydrophobicContact CZ-CG1 4.26Å; W476-V496 HydrophobicContact CE3-CB 4.15Å; W476-V496 HydrophobicContact CE3-CG2 4Å; W476-V496 HydrophobicContact CZ3-CG2 4.12Å; E477-V496 WeakPolarHBondContact O-CA 3.49Å; L478-V496 HydrophobicContact CB-CG1 4.47Å; L478-V496 HydrophobicContact CD1-CG1 3.46Å; L478-V496 VanDerWaalsContact CD1-CG1 3.46Å; V496-V521 HydrophobicContact CG2-CB 3.93Å; V496-V521 PolarHBondContact N-O 2.9Å; V496-V521 PolarHBondContact O-N 3.04Å; V496-I523 HydrophobicContact CG1-CD1 4.16Å
497R87.3Confident60.5Low81 Ų8188 Ų8831%0.30645%0.452SS..EExtended strand (participates in β ladder)trans-142.8151.9179.871174.9-172.2-169.3-3.9111.7W476 E477 I479 E520W476-R497 WeakPolarHBondContact CA-O 3.3Å; W476-R497 VanDerWaalsContact CB-O 3.3Å; W476-R497 WeakPolarHBondContact CB-O 3.34Å; E477-R497 HydrophobicContact CB-CG 4.24Å; E477-R497 PolarHBondContact N-O 2.93Å; E477-R497 PolarHBondContact O-N 3.17Å; E477-R497 IonicContact OE2-CZ 2.82Å; E477-R497 IonicContact OE2-NE 3.56Å; E477-R497 PolarHBondContact OE2-NE 2.87Å; E477-R497 IonicContact OE2-NH2 3.06Å; E477-R497 PolarHBondContact OE2-NH2 3Å; I479-R497 HydrophobicContact CD1-CG 4.21Å; R497-E520 HydrophobicContact CB-CG 4.15Å
498P85.7Confident59.2Low36 Ų3688.4 Ų88.423%0.23446%0.464CS..PPolyproline II helixtrans-64.3157.4172.927.8-33.2000111.2W476 S500 Y519W476-P498 HydrophobicContact CD2-CB 4.36Å; W476-P498 HydrophobicContact CZ2-CB 4.25Å; P498-S500 PolarHBondContact O-N 3.41Å; P498-Y519 WeakPolarHBondContact CD-O 3.26Å
499P78Confident57.9Low67 Ų6794.3 Ų94.344%0.43551%0.506SS..PPolyproline II helixtrans-61.2130.9-178.322.8-31.1000111K475 K501K475-P499 WeakPolarHBondContact O-CD 3.39Å; K475-P499 WeakPolarHBondContact O-CG 3.24Å; P499-K501 PolarHBondContact O-N 2.79Å
500S62.9Low56.7Low77 Ų7794.5 Ų94.554%0.53851%0.507SS..PPolyproline II helixtrans-67117178.5-163.40000108.9P498 T502P498-S500 PolarHBondContact O-N 3.41Å; S500-T502 PolarHBondContact O-N 3.16Å; S500-T502 PolarHBondContact O-OG1 2.87Å
501K50.4Low55.1Low218 Ų218102.4 Ų102.495%0.94854%0.54SS*.  trans-66.173.1177.7-72.8-177.6-178.8172.60110.4P499P499-K501 PolarHBondContact O-N 2.79Å
502T36Very low53.9Low111 Ų111109.7 Ų109.768%0.68156%0.563SS**  trans-109.3120.6175-29.90000107.6S500S500-T502 PolarHBondContact O-N 3.16Å; S500-T502 PolarHBondContact O-OG1 2.87Å
503S34Very low52.5Low74 Ų74113.9 Ų113.952%0.51759%0.585SS.*SBendtrans93.9125.317771.30000117.6F1396S503-F1396 WeakPolarHBondContact O-CE1 3.46Å; S503-F1396 VanDerWaalsContact O-CZ 3.27Å; S503-F1396 WeakPolarHBondContact O-CZ 3.12Å; S503-F1396 WeakPolarHBondContact OG-CD1 3.06Å; S503-F1396 WeakPolarHBondContact OG-CE1 3.18Å
504L35.3Very low51.4Low113 Ų113118.9 Ų118.959%0.59261%0.608SS**  trans67.477.5161.3-88.6147.6000117.2F1396L504-F1396 HydrophobicContact CB-CD1 4.13Å; L504-F1396 HydrophobicContact CB-CD2 4.27Å; L504-F1396 HydrophobicContact CB-CE1 3.37Å; L504-F1396 HydrophobicContact CB-CE2 3.46Å; L504-F1396 VanDerWaalsContact CB-CE2 3.46Å; L504-F1396 HydrophobicContact CB-CZ 2.98Å; L504-F1396 HydrophobicContact CD1-CB 4.32Å; L504-F1396 HydrophobicContact CD1-CD1 3.42Å; L504-F1396 VanDerWaalsContact CD1-CD1 3.42Å; L504-F1396 HydrophobicContact CD1-CD2 3.5Å; L504-F1396 HydrophobicContact CD1-CE1 3.6Å; L504-F1396 HydrophobicContact CD1-CE2 3.6Å; L504-F1396 HydrophobicContact CD1-CG 3.43Å; L504-F1396 VanDerWaalsContact CD1-CG 3.43Å; L504-F1396 HydrophobicContact CD1-CZ 3.71Å; L504-F1396 HydrophobicContact CG-CD1 4.39Å; L504-F1396 HydrophobicContact CG-CD2 4.44Å; L504-F1396 HydrophobicContact CG-CE1 4.09Å; L504-F1396 HydrophobicContact CG-CE2 4.06Å; L504-F1396 HydrophobicContact CG-CZ 3.94Å
505K31.1Very low49.7Very low180 Ų180125.2 Ų125.278%0.78364%0.641SS**  -168.8117.7109.7-97.7161.7-171.5178.80108.8K507K505-K507 VanDerWaalsContact C-N 3.35Å; K505-K507 PolarHBondContact O-N 3.28Å
506E34.3Very low48.2Very low201 Ų201130.4 Ų130.494%0.93967%0.669SS**  trans-49.799.2161.9-69.6169.8150.700109
507K29.5Very low46.8Very low185 Ų185135.4 Ų135.480%0.80470%0.695SS**  trans-125.694154-83.2-169.9174-176.50106.5K505K505-K507 VanDerWaalsContact C-N 3.35Å; K505-K507 PolarHBondContact O-N 3.28Å
508T32.1Very low45.9Very low123 Ų123134.6 Ų134.676%0.75570%0.7SS**  trans37.199.1142.140.80000115.6E510T508-E510 VanDerWaalsContact C-N 3.34Å; T508-E510 PolarHBondContact O-N 3.38Å
509S31.8Very low45.6Very low133 Ų133135.5 Ų135.593%0.9370%0.699SS**  trans6.374.1144.2-51.70000115.9
510E34.4Very low46Very low174 Ų174133 Ų13381%0.81368%0.681SS**  trans-106.5130.6152-76.7-172.7170.200107.1T508 F512T508-E510 VanDerWaalsContact C-N 3.34Å; T508-E510 PolarHBondContact O-N 3.38Å; E510-F512 PolarHBondContact O-N 2.84Å
511K35.1Very low47.3Very low199 Ų199129.3 Ų129.387%0.86566%0.655SS**  trans-54110-173.8-65168.6176.4177.60108.8N513K511-N513 PolarHBondContact O-N 2.97Å; K511-N513 VanDerWaalsContact O-N 3.07Å
512F38.6Very low49.1Very low202 Ų202118.9 Ų118.989%0.88661%0.61SS**  trans-62.4108.4158.8-87.6-91.1000106.4E510 D514E510-F512 PolarHBondContact O-N 2.84Å; F512-D514 PolarHBondContact O-N 3.34Å
513N40.3Very low51.6Low113 Ų113113.8 Ų113.860%0.60458%0.579SS**  trans-67.2122.1161-82.1-15.2000106.3K511 D515 D516K511-N513 PolarHBondContact O-N 2.97Å; K511-N513 VanDerWaalsContact O-N 3.07Å; N513-D515 PolarHBondContact O-N 3.38Å; N513-D516 PolarHBondContact O-N 3.29Å
514D46.6Very low54Low171 Ų171111 Ų11191%0.91456%0.558SS**THydrogen-bonded Turntrans-63.31.7173.9-100.2-27.8000113.4F512F512-D514 PolarHBondContact O-N 3.34Å
515D45.5Very low56.3Low142 Ų142109 Ų10976%0.75954%0.542SS*.THydrogen-bonded Turntrans-94.8-1.8-178.6-70-33.3000114.1N513 I517N513-D515 PolarHBondContact O-N 3.38Å; D515-I517 PolarHBondContact O-N 3.45Å
516D54.3Low58.9Low138 Ų138103.9 Ų103.974%0.73852%0.521SS*.  trans-7599.7175.7-86.2-15.6000110.2N513N513-D516 PolarHBondContact O-N 3.29Å
517I59.8Low61.4Low106 Ų10695.1 Ų95.154%0.54448%0.48SS..  trans-50120.2172.8-61171.3000108.6D515 Y519 L543D515-I517 PolarHBondContact O-N 3.45Å; I517-Y519 PolarHBondContact O-N 2.96Å; I517-L543 HydrophobicContact CG2-CB 4.21Å; I517-L543 HydrophobicContact CG2-CD2 3.39Å; I517-L543 HydrophobicContact CG2-CG 3.77Å
518P68.2Low63.7Low64 Ų6489.1 Ų89.142%0.41646%0.46SS..  trans-61.4138.3-176.724.1-33000110.6E520 L543P518-E520 HydrophobicContact CB-CG 4.29Å; P518-E520 PolarHBondContact O-N 3.35Å; P518-L543 HydrophobicContact CG-CD2 4.01Å
519Y80.1Confident66Low55 Ų5587.4 Ų87.422%0.21644%0.442CS..  trans-73.489.9178.9-158.8-84.4000110.2N441 E446 W476 P498 I517 V521 N544N441-Y519 HydrophobicContact CB-CE1 4.45Å; E446-Y519 PolarHBondContact OE1-OH 2.78Å; W476-Y519 AromaticContact CH2-CD1 3.98Å; W476-Y519 HydrophobicContact CH2-CD1 3.98Å; W476-Y519 AromaticContact CH2-CE1 3.84Å; W476-Y519 HydrophobicContact CH2-CE1 3.84Å; P498-Y519 WeakPolarHBondContact CD-O 3.26Å; I517-Y519 PolarHBondContact O-N 2.96Å; Y519-V521 HydrophobicContact CE1-CG2 4.1Å; Y519-N544 WeakPolarHBondContact CD2-ND2 3.29Å; Y519-N544 VanDerWaalsContact CE2-ND2 3.34Å; Y519-N544 WeakPolarHBondContact CE2-ND2 3.17Å
520E86.2Confident67.7Low13 Ų1382.2 Ų82.26%0.06141%0.406CS..  trans-121.6136.1180-67.8177.8177.500109.4K487 F488 I495 R497 P518 A542 L543K487-E520 VanDerWaalsContact CD-OE2 3.31Å; K487-E520 WeakPolarHBondContact CD-OE2 3.43Å; K487-E520 VanDerWaalsContact NZ-CD 3.28Å; K487-E520 IonicContact NZ-OE1 2.8Å; K487-E520 PolarHBondContact NZ-OE1 3.49Å; K487-E520 IonicContact NZ-OE2 2.96Å; K487-E520 PolarHBondContact NZ-OE2 3.36Å; F488-E520 HydrophobicContact CZ-CB 4.29Å; I495-E520 HydrophobicContact CG2-CB 3.9Å; I495-E520 HydrophobicContact CG2-CG 4.33Å; R497-E520 HydrophobicContact CB-CG 4.15Å; P518-E520 HydrophobicContact CB-CG 4.29Å; P518-E520 PolarHBondContact O-N 3.35Å; E520-A542 WeakPolarHBondContact O-CA 3.41Å; E520-L543 HydrophobicContact CB-CB 4.42Å; E520-L543 PolarHBondContact O-N 2.62Å
521V89.2Confident69.1Low0 Ų078.2 Ų78.20%040%0.397CS..EExtended strand (participates in β ladder)trans-115.4116177.5-173.10000109.3E446 T450 W476 V496 Y519 T540 A542E446-V521 HydrophobicContact CG-CG2 4.28Å; T450-V521 HydrophobicContact CG2-CB 4.16Å; T450-V521 HydrophobicContact CG2-CG1 3.68Å; W476-V521 HydrophobicContact CZ3-CG2 4.26Å; V496-V521 HydrophobicContact CG2-CB 3.93Å; V496-V521 PolarHBondContact N-O 2.9Å; V496-V521 PolarHBondContact O-N 3.04Å; Y519-V521 HydrophobicContact CE1-CG2 4.1Å; V521-T540 HydrophobicContact CG1-CG2 4.28Å; V521-A542 HydrophobicContact CG2-CB 4.18Å
522G88.5Confident70.5Confident0 Ų072.8 Ų72.80%038%0.384CS..EExtended strand (participates in β ladder)trans-83.413017600000111.5V492 L524 T540 R541V492-G522 VanDerWaalsContact CG1-CA 3.43Å; G522-L524 WeakPolarHBondContact O-CD1 3.28Å; G522-T540 CarbonylContact O-C 3.51Å; G522-T540 WeakPolarHBondContact O-CA 3.47Å; G522-T540 WeakPolarHBondContact O-CB 3.34Å; G522-R541 PolarHBondContact N-O 2.92Å; G522-R541 PolarHBondContact O-N 2.95Å
523I88.1Confident72.4Confident3 Ų366 Ų662%0.01536%0.357CS..EExtended strand (participates in β ladder)trans-91.6110.4171.8-54.5173.9000108T450 P493 A494 V496 Q526 T540T450-I523 HydrophobicContact CG2-CG1 4.26Å; P493-I523 WeakPolarHBondContact CD-O 3.29Å; A494-I523 PolarHBondContact O-N 3.24Å; V496-I523 HydrophobicContact CG1-CD1 4.16Å; I523-Q526 HydrophobicContact CG2-CG 3.75Å; I523-T540 HydrophobicContact CG1-CG2 4.43Å
524L85.2Confident74.4Confident15 Ų1562.1 Ų62.18%0.07934%0.335CS..EExtended strand (participates in β ladder)trans-92.9-42.6-173.6-63.799.5000112.8M490 G522 I539 R541 F548 Y598M490-L524 HydrophobicContact CG-CD2 4.36Å; M490-L524 HydrophobicContact SD-CD2 3.5Å; M490-L524 VanDerWaalsContact SD-CD2 3.5Å; G522-L524 WeakPolarHBondContact O-CD1 3.28Å; L524-I539 PolarHBondContact N-O 3.11Å; L524-R541 HydrophobicContact CD1-CB 3.73Å; L524-R541 VanDerWaalsContact CD1-N 3.34Å; L524-F548 HydrophobicContact CD1-CD1 4.02Å; L524-F548 HydrophobicContact CD1-CE1 4.14Å; L524-F548 HydrophobicContact CD2-CD1 4.25Å; L524-F548 HydrophobicContact CD2-CE1 3.61Å; L524-Y598 HydrophobicContact CD2-CD2 3.96Å; L524-Y598 HydrophobicContact CD2-CE2 3.84Å
525R84.1Confident76.5Confident72 Ų7255.6 Ų55.627%0.27230%0.298SS..EExtended strand (participates in β ladder)trans-150.6131.8-175.5-167.4173.6-178.3-157.1-3.5110.3V538 I539 V601 L602 V604R525-V538 CarbonylContact O-C 3.5Å; R525-V538 WeakPolarHBondContact O-CA 3.16Å; R525-I539 HydrophobicContact CB-CB 4.43Å; R525-I539 PolarHBondContact N-O 2.97Å; R525-I539 PolarHBondContact O-N 3.17Å; R525-V601 PolarHBondContact NH1-O 3.08Å; R525-L602 VanDerWaalsContact CZ-O 3.3Å; R525-L602 PolarHBondContact NH1-O 3.27Å; R525-L602 VanDerWaalsContact NH1-O 3.09Å; R525-V604 PolarHBondContact NH1-O 3.27Å
526Q85Confident78.7Confident73 Ų7349 Ų4934%0.34126%0.262SS..EExtended strand (participates in β ladder)trans-110.7136.6177.6-57.8179-4.600109.6H452 I523 P528 V538H452-Q526 PolarHBondContact O-NE2 3.19Å; I523-Q526 HydrophobicContact CG2-CG 3.75Å; Q526-P528 WeakPolarHBondContact O-CD 3.32Å; Q526-V538 HydrophobicContact CB-CG1 4.2Å; Q526-V538 HydrophobicContact CG-CG1 3.86Å
527F86.1Confident80.6Confident17 Ų1742.4 Ų42.48%0.07523%0.227CC..EExtended strand (participates in β ladder)trans-103.993.9165.6-64.1-85.6000106.6M536 S537 I539 V604 R606 V609F527-M536 WeakPolarHBondContact O-CA 3.48Å; F527-M536 WeakPolarHBondContact O-CB 3.36Å; F527-S537 WeakPolarHBondContact CA-O 3.48Å; F527-S537 WeakPolarHBondContact CB-O 3.48Å; F527-S537 PolarHBondContact N-O 2.64Å; F527-S537 PolarHBondContact O-N 2.95Å; F527-I539 HydrophobicContact CE2-CD1 3.9Å; F527-I539 HydrophobicContact CE2-CG1 4.09Å; F527-V604 HydrophobicContact CZ-CG1 4.3Å; F527-R606 HydrophobicContact CB-CG 4.49Å; F527-R606 HydrophobicContact CD1-CB 3.8Å; F527-R606 HydrophobicContact CD1-CG 3.89Å; F527-R606 HydrophobicContact CE1-CB 3.92Å; F527-R606 HydrophobicContact CE1-CG 4.46Å; F527-R606 HydrophobicContact CG-CG 4.3Å; F527-V609 HydrophobicContact CD2-CG1 4.16Å; F527-V609 HydrophobicContact CE2-CB 4.17Å; F527-V609 HydrophobicContact CE2-CG1 3.98Å; F527-V609 HydrophobicContact CE2-CG2 3.74Å; F527-V609 HydrophobicContact CZ-CG2 3.88Å
528P78.1Confident82.2Confident58 Ų5837.3 Ų37.338%0.37720%0.201SC..EExtended strand (participates in β ladder)trans-61.5158.1-170.524.5-34.1000111.7Q526 S530 R606Q526-P528 WeakPolarHBondContact O-CD 3.32Å; P528-S530 PolarHBondContact O-N 3.4Å; P528-R606 PolarHBondContact O-NH1 3.17Å
529F80Confident83.4Confident87 Ų8734.3 Ų34.338%0.38218%0.181SC..EExtended strand (participates in β ladder)trans-55.2133.4177.7-177.6-95.8000110.3R264 R535 M536R264-F529 VanDerWaalsContact CZ-O 3.25Å; R264-F529 PolarHBondContact NH1-O 3.31Å; R264-F529 PolarHBondContact NH2-O 3.16Å; F529-R535 WeakPolarHBondContact CA-O 3.23Å; F529-M536 HydrophobicContact CB-CB 4.03Å
530S67.7Low84Confident25 Ų2531.7 Ų31.718%0.17517%0.171CC..EExtended strand (participates in β ladder)trans-122.2129.8169.8179.50000108.9P528 S532 L533 Q534 R535P528-S530 PolarHBondContact O-N 3.4Å; S530-S532 PolarHBondContact O-N 2.98Å; S530-S532 PolarHBondContact OG-OG 3.33Å; S530-L533 CarbonylContact O-C 3.43Å; S530-L533 PolarHBondContact O-N 3.23Å; S530-Q534 WeakPolarHBondContact O-CA 3.46Å; S530-Q534 PolarHBondContact O-N 3.36Å; S530-R535 PolarHBondContact N-O 2.85Å
531S64.7Low84.2Confident89 Ų8932.8 Ų32.862%0.62218%0.175SC*.THydrogen-bonded Turntrans-61.2-31.8179.3-50.30000112.6Q534S531-Q534 VanDerWaalsContact O-CG 3.3Å; S531-Q534 WeakPolarHBondContact O-CG 3.42Å
532S65Low84Confident85 Ų8532.8 Ų32.859%0.59418%0.175SC*.THydrogen-bonded Turntrans-71.5-30.1175.756.50000113.2S530S530-S532 PolarHBondContact O-N 2.98Å; S530-S532 PolarHBondContact OG-OG 3.33Å
533L77.5Confident83.7Confident59 Ų5934.2 Ų34.231%0.30918%0.182SC..THydrogen-bonded Turntrans-97.9-13.2179.7-59.8175.5000112.9S530 R535 T558 R606S530-L533 CarbonylContact O-C 3.43Å; S530-L533 PolarHBondContact O-N 3.23Å; L533-R535 HydrophobicContact CB-CG 4.24Å; L533-R535 WeakPolarHBondContact O-CG 3.49Å; L533-R535 PolarHBondContact O-N 3.23Å; L533-R535 VanDerWaalsContact O-N 3.12Å; L533-R535 PolarHBondContact O-NH1 3.36Å; L533-T558 WeakPolarHBondContact O-CG2 3.32Å; L533-R606 VanDerWaalsContact CD1-CZ 3.41Å
534Q81.6Confident83.2Confident33 Ų3337.8 Ų37.815%0.15420%0.201CC..THydrogen-bonded Turntrans53.229.1179.2-57.3-177.9-18.700114.9S530 S531 G554 A555 T558S530-Q534 WeakPolarHBondContact O-CA 3.46Å; S530-Q534 PolarHBondContact O-N 3.36Å; S531-Q534 VanDerWaalsContact O-CG 3.3Å; S531-Q534 WeakPolarHBondContact O-CG 3.42Å; Q534-G554 CarbonylContact O-C 3.46Å; Q534-G554 WeakPolarHBondContact O-CA 3.46Å; Q534-A555 HydrophobicContact CB-CB 3.94Å; Q534-A555 PolarHBondContact O-N 2.97Å; Q534-T558 PolarHBondContact OE1-OG1 3.24Å
535R90.9Very high83Confident33 Ų3339.2 Ų39.213%0.12521%0.208CC..EExtended strand (participates in β ladder)trans-156.8163.1-17769.9-165.2175.9-120.711.3113.3F529 S530 L533 K553 T558 I559 R606 E610F529-R535 WeakPolarHBondContact CA-O 3.23Å; S530-R535 PolarHBondContact N-O 2.85Å; L533-R535 HydrophobicContact CB-CG 4.24Å; L533-R535 WeakPolarHBondContact O-CG 3.49Å; L533-R535 PolarHBondContact O-N 3.23Å; L533-R535 VanDerWaalsContact O-N 3.12Å; L533-R535 PolarHBondContact O-NH1 3.36Å; R535-K553 CarbonylContact C-O 3.58Å; R535-K553 VanDerWaalsContact CA-O 3.28Å; R535-K553 WeakPolarHBondContact CA-O 3.35Å; R535-K553 WeakPolarHBondContact CB-O 3.31Å; R535-T558 HydrophobicContact CB-CG2 4.47Å; R535-I559 HydrophobicContact CB-CD1 4.33Å; R535-R606 PolarHBondContact O-NH2 3.05Å; R535-E610 IonicContact CZ-OE2 3.46Å; R535-E610 IonicContact NE-OE1 2.86Å; R535-E610 PolarHBondContact NE-OE1 2.81Å; R535-E610 IonicContact NE-OE2 2.86Å; R535-E610 PolarHBondContact NE-OE2 3.33Å; R535-E610 IonicContact NH2-OE2 3.22Å; R535-E610 PolarHBondContact NH2-OE2 2.96Å
536M92.4Very high82.9Confident3 Ų343.3 Ų43.32%0.01524%0.235CC..EExtended strand (participates in β ladder)trans-135.1154.1167.570.1175.2-80.100110.9F527 F529 V538 T552 K553F527-M536 WeakPolarHBondContact O-CA 3.48Å; F527-M536 WeakPolarHBondContact O-CB 3.36Å; F529-M536 HydrophobicContact CB-CB 4.03Å; M536-V538 HydrophobicContact CE-CG1 4Å; M536-T552 VanDerWaalsContact O-CA 3.31Å; M536-T552 WeakPolarHBondContact O-CA 3.49Å; M536-T552 WeakPolarHBondContact O-CG2 3.48Å; M536-K553 HydrophobicContact CG-CD 4.29Å; M536-K553 HydrophobicContact CG-CG 3.62Å; M536-K553 PolarHBondContact N-O 3.21Å; M536-K553 PolarHBondContact O-N 3.18Å; M536-K553 HydrophobicContact SD-CD 4.36Å; M536-K553 WeakPolarHBondContact SD-CE 3.41Å; M536-K553 HydrophobicContact SD-CG 4.32Å
537S94.3Very high83Confident0 Ų042.5 Ų42.50%023%0.231CC..EExtended strand (participates in β ladder)trans-136.1153.6176.7-58.60000111F527 Y551 T552 E610F527-S537 WeakPolarHBondContact CA-O 3.48Å; F527-S537 WeakPolarHBondContact CB-O 3.48Å; F527-S537 PolarHBondContact N-O 2.64Å; F527-S537 PolarHBondContact O-N 2.95Å; S537-Y551 CarbonylContact C-O 3.57Å; S537-Y551 WeakPolarHBondContact CA-O 3.4Å; S537-T552 WeakPolarHBondContact CB-OG1 3.28Å; S537-T552 VanDerWaalsContact OG-CG2 3.28Å; S537-T552 WeakPolarHBondContact OG-CG2 3.43Å; S537-T552 PolarHBondContact OG-OG1 3.48Å; S537-E610 VanDerWaalsContact OG-CG 3.31Å; S537-E610 WeakPolarHBondContact OG-CG 3.36Å; S537-E610 PolarHBondContact OG-OE1 3Å
538V93Very high83.3Confident0 Ų042.3 Ų42.30%023%0.23CC..EExtended strand (participates in β ladder)trans-133.5145.4174.3-59.90000109.6C451 R525 Q526 M536 T540 I550 Y551C451-V538 HydrophobicContact CB-CG2 4Å; R525-V538 CarbonylContact O-C 3.5Å; R525-V538 WeakPolarHBondContact O-CA 3.16Å; Q526-V538 HydrophobicContact CB-CG1 4.2Å; Q526-V538 HydrophobicContact CG-CG1 3.86Å; M536-V538 HydrophobicContact CE-CG1 4Å; V538-T540 HydrophobicContact CG2-CG2 3.96Å; V538-I550 WeakPolarHBondContact O-CA 3.39Å; V538-Y551 HydrophobicContact CG2-CD2 4.48Å; V538-Y551 PolarHBondContact N-O 2.71Å; V538-Y551 PolarHBondContact O-N 3.28Å
539I93.6Very high84.1Confident0 Ų039.6 Ų39.60%021%0.213CC..EExtended strand (participates in β ladder)trans-104.8123.5170.1-52.1-178.5000107.6L524 R525 F527 F548 N549 I550 V601 V604 V609L524-I539 PolarHBondContact N-O 3.11Å; R525-I539 HydrophobicContact CB-CB 4.43Å; R525-I539 PolarHBondContact N-O 2.97Å; R525-I539 PolarHBondContact O-N 3.17Å; F527-I539 HydrophobicContact CE2-CD1 3.9Å; F527-I539 HydrophobicContact CE2-CG1 4.09Å; I539-F548 HydrophobicContact CG2-CB 4.07Å; I539-F548 HydrophobicContact CG2-CD1 4.38Å; I539-F548 HydrophobicContact CG2-CG 4.5Å; I539-N549 CarbonylContact C-O 3.45Å; I539-N549 WeakPolarHBondContact CA-O 3.33Å; I539-I550 HydrophobicContact CG1-CG1 4.25Å; I539-V601 HydrophobicContact CB-CG1 4.35Å; I539-V601 HydrophobicContact CD1-CG1 3.89Å; I539-V601 HydrophobicContact CG2-CG1 3.8Å; I539-V604 HydrophobicContact CD1-CG1 3.79Å; I539-V609 HydrophobicContact CD1-CG2 4.02Å; I539-V609 HydrophobicContact CG1-CG1 4.46Å
540T92.7Very high84.8Confident0 Ų035.5 Ų35.50%020%0.195CC..EExtended strand (participates in β ladder)trans-124.9165.7-176.463.60000111.4T450 V521 G522 I523 V538 F548 N549 Y551T450-T540 HydrophobicContact CG2-CG2 3.88Å; V521-T540 HydrophobicContact CG1-CG2 4.28Å; G522-T540 CarbonylContact O-C 3.51Å; G522-T540 WeakPolarHBondContact O-CA 3.47Å; G522-T540 WeakPolarHBondContact O-CB 3.34Å; I523-T540 HydrophobicContact CG1-CG2 4.43Å; V538-T540 HydrophobicContact CG2-CG2 3.96Å; T540-F548 CarbonylContact O-C 3.54Å; T540-F548 VanDerWaalsContact O-CA 3.3Å; T540-F548 WeakPolarHBondContact O-CA 3.21Å; T540-N549 PolarHBondContact N-O 3.46Å; T540-N549 PolarHBondContact O-N 2.81Å; T540-N549 PolarHBondContact OG1-O 3.23Å; T540-Y551 HydrophobicContact CG2-CD2 4.06Å; T540-Y551 HydrophobicContact CG2-CE2 4.48Å; T540-Y551 WeakPolarHBondContact OG1-CD2 3.35Å; T540-Y551 VanDerWaalsContact OG1-CE2 3.27Å; T540-Y551 WeakPolarHBondContact OG1-CE2 3.47Å
541R89.7Confident86.2Confident37 Ų3734.4 Ų34.414%0.1419%0.187CC..EExtended strand (participates in β ladder)trans-141.7122168.5-178.6179.1172.8-158.2-0.6108.1F488 G522 L524 Q545 F548F488-R541 WeakPolarHBondContact CE1-O 3.47Å; F488-R541 PolarHBondContact O-NH1 3.4Å; G522-R541 PolarHBondContact N-O 2.92Å; G522-R541 PolarHBondContact O-N 2.95Å; L524-R541 HydrophobicContact CD1-CB 3.73Å; L524-R541 VanDerWaalsContact CD1-N 3.34Å; R541-Q545 PolarHBondContact NE-O 3.49Å; R541-F548 HydrophobicContact CB-CD1 3.88Å; R541-F548 HydrophobicContact CB-CE1 4.05Å; R541-F548 HydrophobicContact CG-CD1 4.45Å; R541-F548 HydrophobicContact CG-CE1 4.42Å
542A86.8Confident87.7Confident0 Ų030.1 Ų30.10%016%0.157CC..EExtended strand (participates in β ladder)trans-76.5141168.800000109.7E520 V521 N544 Q545E520-A542 WeakPolarHBondContact O-CA 3.41Å; V521-A542 HydrophobicContact CG2-CB 4.18Å; A542-N544 VanDerWaalsContact CB-OD1 3.3Å; A542-N544 WeakPolarHBondContact CB-OD1 3.46Å; A542-N544 PolarHBondContact O-N 3.47Å; A542-Q545 HydrophobicContact CB-CB 4.16Å; A542-Q545 HydrophobicContact CB-CG 4.03Å; A542-Q545 PolarHBondContact O-N 3.08Å
543L80.5Confident89.2Confident30 Ų3026.4 Ų26.416%0.15713%0.13CC..THydrogen-bonded Turntrans-59.5-34.1-176.2-163.977.9000112.2K487 F488 I517 P518 E520 Q545K487-L543 HydrophobicContact CB-CD1 3.96Å; F488-L543 HydrophobicContact CD1-CD1 3.83Å; F488-L543 HydrophobicContact CD2-CD1 4.09Å; F488-L543 HydrophobicContact CE1-CB 4.04Å; F488-L543 HydrophobicContact CE1-CD1 3.63Å; F488-L543 HydrophobicContact CE1-CG 4.47Å; F488-L543 HydrophobicContact CE2-CD1 3.9Å; F488-L543 HydrophobicContact CG-CD1 4.05Å; F488-L543 HydrophobicContact CZ-CB 4.11Å; F488-L543 HydrophobicContact CZ-CD1 3.68Å; I517-L543 HydrophobicContact CG2-CB 4.21Å; I517-L543 HydrophobicContact CG2-CD2 3.39Å; I517-L543 HydrophobicContact CG2-CG 3.77Å; P518-L543 HydrophobicContact CG-CD2 4.01Å; E520-L543 HydrophobicContact CB-CB 4.42Å; E520-L543 PolarHBondContact O-N 2.62Å; L543-Q545 VanDerWaalsContact C-N 3.31Å; L543-Q545 PolarHBondContact O-N 3.44Å
544N77.6Confident89.8Confident77 Ų7723.7 Ų23.741%0.41212%0.116SC..THydrogen-bonded Turntrans-83.42.7177.962.6-5.2000114.1Y519 A542Y519-N544 WeakPolarHBondContact CD2-ND2 3.29Å; Y519-N544 VanDerWaalsContact CE2-ND2 3.34Å; Y519-N544 WeakPolarHBondContact CE2-ND2 3.17Å; A542-N544 VanDerWaalsContact CB-OD1 3.3Å; A542-N544 WeakPolarHBondContact CB-OD1 3.46Å; A542-N544 PolarHBondContact O-N 3.47Å
545Q81.4Confident90.1Very high46 Ų4622.9 Ų22.922%0.21512%0.115CC..  trans-119.3137.3-177.3-67.5177.912.500112.7R541 A542 L543 H547 N549R541-Q545 PolarHBondContact NE-O 3.49Å; A542-Q545 HydrophobicContact CB-CB 4.16Å; A542-Q545 HydrophobicContact CB-CG 4.03Å; A542-Q545 PolarHBondContact O-N 3.08Å; L543-Q545 VanDerWaalsContact C-N 3.31Å; L543-Q545 PolarHBondContact O-N 3.44Å; Q545-H547 VanDerWaalsContact C-N 3.3Å; Q545-H547 PolarHBondContact O-N 2.9Å; Q545-H547 PolarHBondContact OE1-CE1 2.88Å; Q545-N549 PolarHBondContact OE1-ND2 2.89Å
546N81.9Confident90Very high157 Ų15721.6 Ų21.684%0.8411%0.111SC*.SBendtrans-90.919.5177.4-72.5-7.3000113.8
547H88.3Confident89.5Confident57 Ų5723.3 Ų23.326%0.26412%0.119SC..SBendtrans-138.7164.9176.861.5-76.4000110.2Q545 N549Q545-H547 VanDerWaalsContact C-N 3.3Å; Q545-H547 PolarHBondContact O-N 2.9Å; Q545-H547 PolarHBondContact OE1-CE1 2.88Å; H547-N549 PolarHBondContact CD2-OD1 3.01Å; H547-N549 VanDerWaalsContact CD2-OD1 3.22Å; H547-N549 PolarHBondContact NE2-OD1 3.23Å
548F92Very high89.2Confident13 Ų1324.2 Ų24.26%0.05712%0.124CC..EExtended strand (participates in β ladder)trans-91.3150.5174.5-62-80.1000109.4M490 L524 I539 T540 R541 L594 A596 V601M490-F548 HydrophobicContact CE-CZ 4.29Å; M490-F548 HydrophobicContact SD-CE1 4.09Å; M490-F548 HydrophobicContact SD-CZ 4.2Å; L524-F548 HydrophobicContact CD1-CD1 4.02Å; L524-F548 HydrophobicContact CD1-CE1 4.14Å; L524-F548 HydrophobicContact CD2-CD1 4.25Å; L524-F548 HydrophobicContact CD2-CE1 3.61Å; I539-F548 HydrophobicContact CG2-CB 4.07Å; I539-F548 HydrophobicContact CG2-CD1 4.38Å; I539-F548 HydrophobicContact CG2-CG 4.5Å; T540-F548 CarbonylContact O-C 3.54Å; T540-F548 VanDerWaalsContact O-CA 3.3Å; T540-F548 WeakPolarHBondContact O-CA 3.21Å; R541-F548 HydrophobicContact CB-CD1 3.88Å; R541-F548 HydrophobicContact CB-CE1 4.05Å; R541-F548 HydrophobicContact CG-CD1 4.45Å; R541-F548 HydrophobicContact CG-CE1 4.42Å; F548-L594 HydrophobicContact CB-CB 4.13Å; F548-L594 HydrophobicContact CB-CD2 4.42Å; F548-L594 WeakPolarHBondContact CB-O 3.37Å; F548-L594 PolarHBondContact N-O 2.93Å; F548-L594 VanDerWaalsContact N-O 3.07Å; F548-L594 WeakPolarHBondContact O-CA 3.39Å; F548-L594 PolarHBondContact O-N 3.36Å; F548-A596 WeakPolarHBondContact CD2-O 3.47Å; F548-A596 WeakPolarHBondContact CE2-O 3.41Å; F548-V601 HydrophobicContact CD1-CG2 4.36Å; F548-V601 HydrophobicContact CD2-CG2 3.8Å; F548-V601 HydrophobicContact CE1-CG2 4.47Å; F548-V601 HydrophobicContact CE2-CG2 3.93Å; F548-V601 HydrophobicContact CG-CG2 4.03Å; F548-V601 HydrophobicContact CZ-CG2 4.26Å
549N94.3Very high89.2Confident1 Ų124.2 Ų24.21%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-114.5145.5171.5-67.1-32000109.5I539 T540 Q545 H547 Y551I539-N549 CarbonylContact C-O 3.45Å; I539-N549 WeakPolarHBondContact CA-O 3.33Å; T540-N549 PolarHBondContact N-O 3.46Å; T540-N549 PolarHBondContact O-N 2.81Å; T540-N549 PolarHBondContact OG1-O 3.23Å; Q545-N549 PolarHBondContact OE1-ND2 2.89Å; H547-N549 PolarHBondContact CD2-OD1 3.01Å; H547-N549 VanDerWaalsContact CD2-OD1 3.22Å; H547-N549 PolarHBondContact NE2-OD1 3.23Å; N549-Y551 HydrophobicContact CB-CE2 3.78Å
550I95.7Very high89.1Confident1 Ų126.8 Ų26.81%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-111.9125.7173-65.8164.6000106.7V538 I539 W591 K592 L594 V609 L613V538-I550 WeakPolarHBondContact O-CA 3.39Å; I539-I550 HydrophobicContact CG1-CG1 4.25Å; I550-W591 CarbonylContact O-C 3.58Å; I550-W591 WeakPolarHBondContact O-CA 3.25Å; I550-W591 WeakPolarHBondContact O-CB 3.4Å; I550-K592 HydrophobicContact CB-CG 3.94Å; I550-K592 HydrophobicContact CD1-CD 4.21Å; I550-K592 HydrophobicContact CD1-CG 3.92Å; I550-K592 HydrophobicContact CG1-CG 4.43Å; I550-K592 HydrophobicContact CG2-CG 4.5Å; I550-K592 PolarHBondContact N-O 3.33Å; I550-K592 PolarHBondContact O-N 2.86Å; I550-L594 HydrophobicContact CD1-CB 3.83Å; I550-L594 HydrophobicContact CD1-CD1 4.36Å; I550-L594 HydrophobicContact CD1-CD2 4.07Å; I550-L594 HydrophobicContact CD1-CG 4.29Å; I550-L594 HydrophobicContact CG1-CB 4.16Å; I550-L594 HydrophobicContact CG1-CD2 4.47Å; I550-V609 HydrophobicContact CB-CG1 4.48Å; I550-V609 HydrophobicContact CD1-CB 4.45Å; I550-V609 HydrophobicContact CD1-CG1 3.95Å; I550-V609 HydrophobicContact CG1-CG1 4.13Å; I550-V609 HydrophobicContact CG2-CG1 3.52Å; I550-L613 HydrophobicContact CG2-CD2 4.33Å
551Y97.1Very high89Confident1 Ų133.8 Ų33.80%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-115.7136.1173.1-65.7-64.9000109.5P443 E446 C447 T450 S537 V538 T540 N549 W591P443-Y551 HydrophobicContact CB-CE1 4.17Å; P443-Y551 WeakPolarHBondContact O-CE1 3.35Å; E446-Y551 HydrophobicContact CB-CE1 4.25Å; E446-Y551 HydrophobicContact CB-CE2 3.73Å; E446-Y551 WeakPolarHBondContact CB-OH 3.49Å; E446-Y551 PolarHBondContact OE2-OH 3.33Å; C447-Y551 HydrophobicContact CB-CD1 3.54Å; C447-Y551 HydrophobicContact CB-CE1 4.19Å; C447-Y551 HydrophobicContact CB-CG 4.01Å; T450-Y551 WeakPolarHBondContact OG1-CD2 3.41Å; S537-Y551 CarbonylContact C-O 3.57Å; S537-Y551 WeakPolarHBondContact CA-O 3.4Å; V538-Y551 HydrophobicContact CG2-CD2 4.48Å; V538-Y551 PolarHBondContact N-O 2.71Å; V538-Y551 PolarHBondContact O-N 3.28Å; T540-Y551 HydrophobicContact CG2-CD2 4.06Å; T540-Y551 HydrophobicContact CG2-CE2 4.48Å; T540-Y551 WeakPolarHBondContact OG1-CD2 3.35Å; T540-Y551 VanDerWaalsContact OG1-CE2 3.27Å; T540-Y551 WeakPolarHBondContact OG1-CE2 3.47Å; N549-Y551 HydrophobicContact CB-CE2 3.78Å; Y551-W591 HydrophobicContact CD1-CB 3.52Å; Y551-W591 HydrophobicContact CE1-CB 3.61Å; Y551-W591 HydrophobicContact CE1-CD2 4.26Å; Y551-W591 AromaticContact CE1-CE3 3.88Å; Y551-W591 HydrophobicContact CE1-CE3 3.88Å; Y551-W591 HydrophobicContact CE1-CG 4.19Å
552T96.4Very high89.2Confident0 Ų033.4 Ų33.40%017%0.174CC..EExtended strand (participates in β ladder)trans-135.2137.2-177.2-57.40000109.7M536 S537 I559 A590 L613M536-T552 VanDerWaalsContact O-CA 3.31Å; M536-T552 WeakPolarHBondContact O-CA 3.49Å; M536-T552 WeakPolarHBondContact O-CG2 3.48Å; S537-T552 WeakPolarHBondContact CB-OG1 3.28Å; S537-T552 VanDerWaalsContact OG-CG2 3.28Å; S537-T552 WeakPolarHBondContact OG-CG2 3.43Å; S537-T552 PolarHBondContact OG-OG1 3.48Å; T552-I559 HydrophobicContact CG2-CD1 3.56Å; T552-A590 PolarHBondContact N-O 3.39Å; T552-A590 PolarHBondContact O-N 2.92Å; T552-L613 HydrophobicContact CG2-CD1 4.03Å
553K95.1Very high89.5Confident7 Ų733.9 Ų33.93%0.0318%0.177CC..EExtended strand (participates in β ladder)trans-132.3150.5169.975-176.4-168.4-164.90111.4C451 D467 M470 R535 M536 A588 L589C451-K553 HydrophobicContact CB-CD 4.43Å; C451-K553 WeakPolarHBondContact O-CD 3.27Å; C451-K553 WeakPolarHBondContact O-CE 3.46Å; C451-K553 PolarHBondContact O-NZ 3.49Å; D467-K553 WeakPolarHBondContact OD1-CE 3.47Å; D467-K553 IonicContact OD1-NZ 2.85Å; D467-K553 PolarHBondContact OD1-NZ 3Å; M470-K553 HydrophobicContact CE-CD 4.35Å; M470-K553 HydrophobicContact SD-CD 3.9Å; M470-K553 PolarHBondContact SD-NZ 3.45Å; M470-K553 VanDerWaalsContact SD-NZ 3.42Å; R535-K553 CarbonylContact C-O 3.58Å; R535-K553 VanDerWaalsContact CA-O 3.28Å; R535-K553 WeakPolarHBondContact CA-O 3.35Å; R535-K553 WeakPolarHBondContact CB-O 3.31Å; M536-K553 HydrophobicContact CG-CD 4.29Å; M536-K553 HydrophobicContact CG-CG 3.62Å; M536-K553 PolarHBondContact N-O 3.21Å; M536-K553 PolarHBondContact O-N 3.18Å; M536-K553 HydrophobicContact SD-CD 4.36Å; M536-K553 WeakPolarHBondContact SD-CE 3.41Å; M536-K553 HydrophobicContact SD-CG 4.32Å; K553-A588 WeakPolarHBondContact CA-O 3.12Å; K553-L589 HydrophobicContact CB-CD2 3.5Å; K553-L589 VanDerWaalsContact CB-CD2 3.5Å
554G91.6Very high90.1Very high1 Ų137.4 Ų37.41%0.0119%0.188CC..EExtended strand (participates in β ladder)trans176.8-169-179.500000113.7Q534 L587 A588Q534-G554 CarbonylContact O-C 3.46Å; Q534-G554 WeakPolarHBondContact O-CA 3.46Å; G554-L587 WeakPolarHBondContact O-CA 3.49Å; G554-L587 WeakPolarHBondContact O-CD2 3.49Å; G554-A588 PolarHBondContact N-O 3.02Å; G554-A588 VanDerWaalsContact N-O 3.15Å; G554-A588 PolarHBondContact O-N 3.3Å
555A87.1Confident90.6Very high16 Ų1639.3 Ų39.313%0.13221%0.206CC..  trans-59.8132.7174.700000110.1Q534 E557 T558 I559Q534-A555 HydrophobicContact CB-CB 3.94Å; Q534-A555 PolarHBondContact O-N 2.97Å; A555-E557 VanDerWaalsContact C-N 3.3Å; A555-E557 HydrophobicContact CB-CG 4.4Å; A555-E557 WeakPolarHBondContact CB-OE1 3.27Å; A555-E557 PolarHBondContact O-N 3.27Å; A555-T558 WeakPolarHBondContact O-CA 3.45Å; A555-T558 WeakPolarHBondContact O-CB 3.49Å; A555-T558 PolarHBondContact O-N 3.01Å; A555-I559 PolarHBondContact O-N 2.8Å
556P88.6Confident90.9Very high6 Ų642.1 Ų42.14%0.03922%0.223CC..Hα-helixtrans-51.6-44.1-175.2-31.338.7000114.5T558 I559 E560 F572 L576 V586 A588P556-T558 PolarHBondContact O-N 3.23Å; P556-I559 PolarHBondContact O-N 3.05Å; P556-E560 VanDerWaalsContact O-CB 3.29Å; P556-E560 WeakPolarHBondContact O-CB 3.11Å; P556-E560 PolarHBondContact O-N 3.47Å; P556-F572 HydrophobicContact CB-CZ 3.89Å; P556-L576 HydrophobicContact CB-CD1 3.8Å; P556-L576 HydrophobicContact CB-CD2 3.65Å; P556-L576 HydrophobicContact CB-CG 4.37Å; P556-L576 HydrophobicContact CG-CD1 3.61Å; P556-L576 HydrophobicContact CG-CD2 4.35Å; P556-V586 WeakPolarHBondContact CD-O 3.22Å; P556-V586 HydrophobicContact CG-CB 4.31Å; P556-V586 HydrophobicContact CG-CG1 4.03Å; P556-A588 HydrophobicContact CB-CB 4.18Å; P556-A588 HydrophobicContact CG-CB 4.32Å
557E82.6Confident91.3Very high40 Ų4035.2 Ų35.219%0.18719%0.186CC..Hα-helixtrans-61.9-29.8176.563.1-86.3-161.800113.5A555 L561A555-E557 VanDerWaalsContact C-N 3.3Å; A555-E557 HydrophobicContact CB-CG 4.4Å; A555-E557 WeakPolarHBondContact CB-OE1 3.27Å; A555-E557 PolarHBondContact O-N 3.27Å; E557-L561 WeakPolarHBondContact O-CD1 3.5Å; E557-L561 WeakPolarHBondContact O-CG 3.17Å
558T86.9Confident91.5Very high18 Ų1834 Ų3411%0.1118%0.181CC..Hα-helixtrans-81.1-44.6178.3-64.20000109.8L533 Q534 R535 A555 P556 E560 L561 L562L533-T558 WeakPolarHBondContact O-CG2 3.32Å; Q534-T558 PolarHBondContact OE1-OG1 3.24Å; R535-T558 HydrophobicContact CB-CG2 4.47Å; A555-T558 WeakPolarHBondContact O-CA 3.45Å; A555-T558 WeakPolarHBondContact O-CB 3.49Å; A555-T558 PolarHBondContact O-N 3.01Å; P556-T558 PolarHBondContact O-N 3.23Å; T558-E560 VanDerWaalsContact C-N 3.33Å; T558-E560 PolarHBondContact O-N 3.21Å; T558-L561 PolarHBondContact O-N 2.93Å; T558-L562 HydrophobicContact CG2-CD1 4.23Å; T558-L562 WeakPolarHBondContact O-CG 3.49Å; T558-L562 PolarHBondContact O-N 2.83Å
559I92.6Very high91.4Very high0 Ų033.5 Ų33.50%018%0.179CC..Hα-helixtrans-65.7-39180-61.9-59.7000111R535 T552 A555 P556 L561 L562 C563 A588 A590R535-I559 HydrophobicContact CB-CD1 4.33Å; T552-I559 HydrophobicContact CG2-CD1 3.56Å; A555-I559 PolarHBondContact O-N 2.8Å; P556-I559 PolarHBondContact O-N 3.05Å; I559-L561 VanDerWaalsContact C-N 3.26Å; I559-L561 PolarHBondContact O-N 3.32Å; I559-L562 PolarHBondContact O-N 3.43Å; I559-C563 WeakPolarHBondContact O-CB 3.39Å; I559-C563 PolarHBondContact O-N 3.4Å; I559-C563 PolarHBondContact O-SG 2.97Å; I559-A588 HydrophobicContact CB-CB 3.57Å; I559-A588 HydrophobicContact CG1-CB 3.8Å; I559-A588 HydrophobicContact CG2-CB 3.72Å; I559-A590 HydrophobicContact CG2-CB 3.67Å
560E92.6Very high91Very high54 Ų5445 Ų4525%0.25222%0.223SC..Hα-helixtrans-52.6-43.6173.7-176-172-179.700112.1P556 T558 L562 C563 I568 F572 H573P556-E560 VanDerWaalsContact O-CB 3.29Å; P556-E560 WeakPolarHBondContact O-CB 3.11Å; P556-E560 PolarHBondContact O-N 3.47Å; T558-E560 VanDerWaalsContact C-N 3.33Å; T558-E560 PolarHBondContact O-N 3.21Å; E560-L562 VanDerWaalsContact C-N 3.28Å; E560-L562 PolarHBondContact O-N 3.15Å; E560-C563 PolarHBondContact O-N 2.97Å; E560-I568 HydrophobicContact CG-CD1 4.29Å; E560-F572 HydrophobicContact CB-CE1 4Å; E560-F572 HydrophobicContact CB-CZ 4.2Å; E560-F572 HydrophobicContact CG-CD1 4.48Å; E560-F572 HydrophobicContact CG-CE1 4.11Å; E560-H573 IonicContact OE1-CE1 2.67Å; E560-H573 PolarHBondContact OE1-CE1 3.2Å; E560-H573 IonicContact OE1-NE2 2.77Å; E560-H573 PolarHBondContact OE1-NE2 2.87Å; E560-H573 IonicContact OE2-CE1 3.53Å; E560-H573 PolarHBondContact OE2-CE1 2.92Å; E560-H573 VanDerWaalsContact OE2-CE1 3.23Å
561L90.9Very high90.5Very high147 Ų14747.3 Ų47.377%0.7724%0.235SC*.Hα-helixtrans-69.3-22.5179.9-68.8170.1000113.9E557 T558 I559E557-L561 WeakPolarHBondContact O-CD1 3.5Å; E557-L561 WeakPolarHBondContact O-CG 3.17Å; T558-L561 PolarHBondContact O-N 2.93Å; I559-L561 VanDerWaalsContact C-N 3.26Å; I559-L561 PolarHBondContact O-N 3.32Å
562L92.9Very high90.2Very high30 Ų3047.5 Ų47.516%0.15724%0.236CC..Hα-helixtrans-98.4-15.5-178.1-55172.9000112.3T558 I559 E560 E610 D612 L613T558-L562 HydrophobicContact CG2-CD1 4.23Å; T558-L562 WeakPolarHBondContact O-CG 3.49Å; T558-L562 PolarHBondContact O-N 2.83Å; I559-L562 PolarHBondContact O-N 3.43Å; E560-L562 VanDerWaalsContact C-N 3.28Å; E560-L562 PolarHBondContact O-N 3.15Å; L562-E610 HydrophobicContact CD1-CB 4.33Å; L562-E610 WeakPolarHBondContact CD2-O 3.3Å; L562-D612 PolarHBondContact O-N 3.3Å; L562-L613 HydrophobicContact CB-CD1 3.92Å; L562-L613 PolarHBondContact O-N 2.94Å
563C94.3Very high89.6Confident10 Ų1051.9 Ų51.97%0.06826%0.256CS..BIsolated β-bridgetrans-83.5152.6176.5-75.20000111.4I559 E560 C565 I568 A590 L613I559-C563 WeakPolarHBondContact O-CB 3.39Å; I559-C563 PolarHBondContact O-N 3.4Å; I559-C563 PolarHBondContact O-SG 2.97Å; E560-C563 PolarHBondContact O-N 2.97Å; C563-C565 PolarHBondContact O-N 3.11Å; C563-I568 HydrophobicContact CB-CD1 3.76Å; C563-I568 HydrophobicContact CB-CG1 4.29Å; C563-A590 VanDerWaalsContact SG-CB 3.5Å; C563-L613 CarbonylContact C-O 3.47Å; C563-L613 WeakPolarHBondContact CA-O 3.37Å
564R92.9Very high89.1Confident103 Ų10354.7 Ų54.739%0.38928%0.277SS..  trans-67.8132.7169.5-61.1165.244.9170-3.7109.4D566 T567 D612 L613R564-D566 WeakPolarHBondContact CB-OD1 3.5Å; R564-D566 IonicContact CZ-OD1 3.41Å; R564-D566 IonicContact CZ-OD2 2.67Å; R564-D566 IonicContact NE-OD1 2.84Å; R564-D566 PolarHBondContact NE-OD1 3.31Å; R564-D566 IonicContact NE-OD2 3.62Å; R564-D566 IonicContact NH2-OD1 3.02Å; R564-D566 PolarHBondContact NH2-OD1 3.32Å; R564-D566 IonicContact NH2-OD2 3.75Å; R564-D566 PolarHBondContact NH2-OD2 3.42Å; R564-D566 PolarHBondContact O-N 3.5Å; R564-T567 HydrophobicContact CB-CG2 4.36Å; R564-T567 PolarHBondContact O-N 3.42Å; R564-T567 PolarHBondContact O-OG1 3.1Å; R564-D612 HydrophobicContact CG-CB 4.27Å; R564-L613 PolarHBondContact N-O 2.91Å
565C87.5Confident88.8Confident118 Ų11855.4 Ų55.480%0.79728%0.281SS*.G310 helixtrans-57.9-26.5-176.2-55.60000113.8C563 T567C563-C565 PolarHBondContact O-N 3.11Å; C565-T567 VanDerWaalsContact C-N 3.28Å; C565-T567 PolarHBondContact O-N 2.67Å
566D88.4Confident88.8Confident104 Ų10455.7 Ų55.756%0.55628%0.28SS*.G310 helixtrans-76-13.2178.665.3-47.5000114R564R564-D566 WeakPolarHBondContact CB-OD1 3.5Å; R564-D566 IonicContact CZ-OD1 3.41Å; R564-D566 IonicContact CZ-OD2 2.67Å; R564-D566 IonicContact NE-OD1 2.84Å; R564-D566 PolarHBondContact NE-OD1 3.31Å; R564-D566 IonicContact NE-OD2 3.62Å; R564-D566 IonicContact NH2-OD1 3.02Å; R564-D566 PolarHBondContact NH2-OD1 3.32Å; R564-D566 IonicContact NH2-OD2 3.75Å; R564-D566 PolarHBondContact NH2-OD2 3.42Å; R564-D566 PolarHBondContact O-N 3.5Å
567T90.3Very high88.3Confident13 Ų1356.4 Ų56.48%0.0828%0.283CS..G310 helixtrans-96.9-7.7176.865.50000113.4Y424 R564 C565 Q614 F615Y424-T567 WeakPolarHBondContact CE2-O 3.37Å; R564-T567 HydrophobicContact CB-CG2 4.36Å; R564-T567 PolarHBondContact O-N 3.42Å; R564-T567 PolarHBondContact O-OG1 3.1Å; C565-T567 VanDerWaalsContact C-N 3.28Å; C565-T567 PolarHBondContact O-N 2.67Å; T567-Q614 HydrophobicContact CG2-CB 4.11Å; T567-Q614 HydrophobicContact CG2-CG 4.1Å; T567-F615 WeakPolarHBondContact O-CB 3.46Å; T567-F615 PolarHBondContact OG1-N 3.01Å
568I92Very high88.3Confident30 Ų3060.4 Ų60.415%0.15430%0.302CS..SBendtrans-83.6124.9-179.5-61.8-67.8000109.3E560 C563 F572 F615E560-I568 HydrophobicContact CG-CD1 4.29Å; C563-I568 HydrophobicContact CB-CD1 3.76Å; C563-I568 HydrophobicContact CB-CG1 4.29Å; I568-F572 HydrophobicContact CG2-CB 3.74Å; I568-F572 HydrophobicContact CG2-CD1 4.37Å; I568-F572 HydrophobicContact CG2-CD2 4.21Å; I568-F572 HydrophobicContact CG2-CG 3.86Å; I568-F615 HydrophobicContact CD1-CB 3.93Å; I568-F615 HydrophobicContact CD1-CD2 4.1Å; I568-F615 HydrophobicContact CD1-CG 4.08Å
569P89.6Confident88.2Confident3 Ų361.2 Ų61.22%0.01930%0.304CS..  trans-61.5146.6177.815.5-23.1000112Y424 G427 F429 D571 F572 F615Y424-P569 HydrophobicContact CD2-CB 4.25Å; Y424-P569 HydrophobicContact CD2-CG 4.02Å; Y424-P569 HydrophobicContact CE2-CB 4.39Å; Y424-P569 HydrophobicContact CE2-CG 4.48Å; G427-P569 WeakPolarHBondContact O-CA 3.35Å; F429-P569 HydrophobicContact CD1-CG 4.22Å; F429-P569 HydrophobicContact CD2-CB 4.22Å; F429-P569 HydrophobicContact CD2-CG 4.14Å; F429-P569 HydrophobicContact CE1-CG 3.74Å; F429-P569 HydrophobicContact CE2-CB 4.12Å; F429-P569 HydrophobicContact CE2-CG 3.69Å; F429-P569 HydrophobicContact CG-CG 4.42Å; F429-P569 HydrophobicContact CZ-CB 4.38Å; F429-P569 HydrophobicContact CZ-CG 3.47Å; F429-P569 VanDerWaalsContact CZ-CG 3.47Å; P569-D571 PolarHBondContact O-N 3.39Å; P569-F572 HydrophobicContact CG-CB 4.31Å; P569-F572 HydrophobicContact CG-CD2 4.29Å; P569-F572 WeakPolarHBondContact O-CB 3.24Å; P569-F572 PolarHBondContact O-N 3.14Å; P569-F572 VanDerWaalsContact O-N 3.09Å; P569-F615 HydrophobicContact CG-CD1 4.14Å; P569-F615 HydrophobicContact CG-CE1 3.85Å
570R86Confident87.4Confident244 Ų24462.7 Ų62.792%0.92131%0.313SS*.THydrogen-bonded Turntrans-64.8-28.5-174.1-64.5-178.3-177.7176.52.6113.1
571D85.9Confident86.3Confident49 Ų4964.5 Ų64.526%0.26232%0.317SS..THydrogen-bonded Turntrans-96.713.517959.8-33000113.2P569 H573 S574 T575P569-D571 PolarHBondContact O-N 3.39Å; D571-H573 PolarHBondContact O-N 3.24Å; D571-S574 WeakPolarHBondContact CA-OG 3.34Å; D571-S574 WeakPolarHBondContact CB-OG 3.27Å; D571-S574 PolarHBondContact O-N 3.26Å; D571-S574 VanDerWaalsContact O-N 3.13Å; D571-S574 PolarHBondContact O-OG 3.13Å; D571-T575 PolarHBondContact O-N 3.05Å; D571-T575 PolarHBondContact O-OG1 2.96Å; D571-T575 VanDerWaalsContact O-OG1 3.11Å; D571-T575 PolarHBondContact OD2-OG1 3.46Å
572F89.3Confident85.5Confident4 Ų462.3 Ų62.32%0.01830%0.303CS..Hα-helixtrans-44.3-55.9179.4-176.5-100.5000113.8F429 P556 E560 I568 P569 L576 F615 L618F429-F572 AromaticContact CZ-CD2 3.89Å; F429-F572 HydrophobicContact CZ-CD2 3.89Å; P556-F572 HydrophobicContact CB-CZ 3.89Å; E560-F572 HydrophobicContact CB-CE1 4Å; E560-F572 HydrophobicContact CB-CZ 4.2Å; E560-F572 HydrophobicContact CG-CD1 4.48Å; E560-F572 HydrophobicContact CG-CE1 4.11Å; I568-F572 HydrophobicContact CG2-CB 3.74Å; I568-F572 HydrophobicContact CG2-CD1 4.37Å; I568-F572 HydrophobicContact CG2-CD2 4.21Å; I568-F572 HydrophobicContact CG2-CG 3.86Å; P569-F572 HydrophobicContact CG-CB 4.31Å; P569-F572 HydrophobicContact CG-CD2 4.29Å; P569-F572 WeakPolarHBondContact O-CB 3.24Å; P569-F572 PolarHBondContact O-N 3.14Å; P569-F572 VanDerWaalsContact O-N 3.09Å; F572-L576 HydrophobicContact CE1-CD2 4.27Å; F572-L576 WeakPolarHBondContact O-CB 3.38Å; F572-L576 PolarHBondContact O-N 3.31Å; F572-F615 HydrophobicContact CD2-CE2 4.26Å; F572-F615 HydrophobicContact CD2-CZ 4.03Å; F572-F615 HydrophobicContact CE2-CD2 4.34Å; F572-F615 AromaticContact CE2-CE2 3.56Å; F572-F615 HydrophobicContact CE2-CE2 3.56Å; F572-F615 AromaticContact CE2-CZ 3.69Å; F572-F615 HydrophobicContact CE2-CZ 3.69Å; F572-L618 HydrophobicContact CE2-CD2 4.12Å
573H85.4Confident84.4Confident92 Ų9261.3 Ų61.343%0.42630%0.3SS..Hα-helixtrans-70.4-34-176.9-65.8-51.5000113.8E560 D571 L577E560-H573 IonicContact OE1-CE1 2.67Å; E560-H573 PolarHBondContact OE1-CE1 3.2Å; E560-H573 IonicContact OE1-NE2 2.77Å; E560-H573 PolarHBondContact OE1-NE2 2.87Å; E560-H573 IonicContact OE2-CE1 3.53Å; E560-H573 PolarHBondContact OE2-CE1 2.92Å; E560-H573 VanDerWaalsContact OE2-CE1 3.23Å; D571-H573 PolarHBondContact O-N 3.24Å; H573-L577 WeakPolarHBondContact O-CB 3.48Å; H573-L577 PolarHBondContact O-N 3.43Å
574S84.1Confident83.8Confident67 Ų6763.1 Ų63.147%0.46931%0.306SS..Hα-helixtrans-68.2-47.4178.833.90000111.2D571 L577 E578D571-S574 WeakPolarHBondContact CA-OG 3.34Å; D571-S574 WeakPolarHBondContact CB-OG 3.27Å; D571-S574 PolarHBondContact O-N 3.26Å; D571-S574 VanDerWaalsContact O-N 3.13Å; D571-S574 PolarHBondContact O-OG 3.13Å; S574-L577 PolarHBondContact O-N 3.42Å; S574-E578 PolarHBondContact O-N 2.87Å
575T85.6Confident83.3Confident16 Ų1662.8 Ų62.810%0.09830%0.304CS..Hα-helixtrans-65.8-44.8179.3-520000110.6I422 F429 D571 L577 E578 Y579I422-T575 HydrophobicContact CD1-CG2 4.32Å; F429-T575 HydrophobicContact CD2-CG2 3.9Å; F429-T575 WeakPolarHBondContact CD2-OG1 3.4Å; F429-T575 HydrophobicContact CE2-CG2 3.95Å; F429-T575 HydrophobicContact CG-CG2 4.41Å; D571-T575 PolarHBondContact O-N 3.05Å; D571-T575 PolarHBondContact O-OG1 2.96Å; D571-T575 VanDerWaalsContact O-OG1 3.11Å; D571-T575 PolarHBondContact OD2-OG1 3.46Å; T575-L577 VanDerWaalsContact C-N 3.27Å; T575-L577 PolarHBondContact O-N 2.77Å; T575-E578 WeakPolarHBondContact O-CB 3.31Å; T575-E578 PolarHBondContact O-N 2.67Å; T575-Y579 HydrophobicContact CG2-CD2 3.98Å; T575-Y579 HydrophobicContact CG2-CE2 3.71Å; T575-Y579 VanDerWaalsContact O-CD2 3.24Å; T575-Y579 WeakPolarHBondContact O-CD2 3.33Å; T575-Y579 PolarHBondContact O-N 3.48Å
576L85.6Confident83.3Confident22 Ų2257.7 Ų57.712%0.11527%0.27CS..Hα-helixtrans-56.2-43.2174175.961.6000111.9P556 F572 T580 V586P556-L576 HydrophobicContact CB-CD1 3.8Å; P556-L576 HydrophobicContact CB-CD2 3.65Å; P556-L576 HydrophobicContact CB-CG 4.37Å; P556-L576 HydrophobicContact CG-CD1 3.61Å; P556-L576 HydrophobicContact CG-CD2 4.35Å; F572-L576 HydrophobicContact CE1-CD2 4.27Å; F572-L576 WeakPolarHBondContact O-CB 3.38Å; F572-L576 PolarHBondContact O-N 3.31Å; L576-T580 HydrophobicContact CD1-CG2 3.82Å; L576-T580 HydrophobicContact CG-CG2 4.35Å; L576-T580 WeakPolarHBondContact O-CB 3.39Å; L576-T580 VanDerWaalsContact O-CG2 3.26Å; L576-T580 WeakPolarHBondContact O-CG2 3.19Å; L576-T580 PolarHBondContact O-N 3.07Å; L576-T580 PolarHBondContact O-OG1 3.01Å; L576-V586 HydrophobicContact CD1-CB 3.86Å; L576-V586 HydrophobicContact CD1-CG1 3.73Å; L576-V586 HydrophobicContact CD1-CG2 4.24Å
577L79.4Confident83.5Confident20 Ų2053.5 Ų53.511%0.10525%0.247CC..Hα-helixtrans-68.2-36.3-179.5-175.561.8000112.4H573 S574 T575 T580 R581 Q1276H573-L577 WeakPolarHBondContact O-CB 3.48Å; H573-L577 PolarHBondContact O-N 3.43Å; S574-L577 PolarHBondContact O-N 3.42Å; T575-L577 VanDerWaalsContact C-N 3.27Å; T575-L577 PolarHBondContact O-N 2.77Å; L577-T580 WeakPolarHBondContact CA-OG1 3.2Å; L577-T580 PolarHBondContact O-OG1 2.97Å; L577-R581 HydrophobicContact CD1-CG 4.01Å; L577-R581 HydrophobicContact CG-CG 4.25Å; L577-R581 WeakPolarHBondContact O-CB 3.39Å; L577-R581 WeakPolarHBondContact O-CD 3.1Å; L577-R581 WeakPolarHBondContact O-CG 3.18Å; L577-R581 PolarHBondContact O-N 3.42Å; L577-Q1276 HydrophobicContact CD2-CG 3.69Å
578E82.5Confident83.7Confident124 Ų12452.9 Ų52.958%0.57924%0.243SC*.Hα-helixtrans-59.1-53.9175.5-175.6171.1-174.200111S574 T575 R581 E582S574-E578 PolarHBondContact O-N 2.87Å; T575-E578 WeakPolarHBondContact O-CB 3.31Å; T575-E578 PolarHBondContact O-N 2.67Å; E578-R581 PolarHBondContact O-N 3.48Å; E578-E582 PolarHBondContact O-N 3.15Å
579Y84.4Confident83.9Confident36 Ų3651.5 Ų51.514%0.14124%0.236CC..Hα-helixtrans-68.8-39.3-179.6-71.1-71.7000113.4W419 I422 T575 R581 E582 G583 Y584 I620W419-Y579 AromaticContact CH2-CE1 3.82Å; W419-Y579 HydrophobicContact CH2-CE1 3.82Å; W419-Y579 HydrophobicContact CZ2-CE1 4.38Å; W419-Y579 AromaticContact CZ3-CE1 3.94Å; W419-Y579 HydrophobicContact CZ3-CE1 3.94Å; I422-Y579 HydrophobicContact CD1-CD2 3.92Å; I422-Y579 HydrophobicContact CD1-CE1 4.42Å; I422-Y579 HydrophobicContact CD1-CE2 3.12Å; I422-Y579 VanDerWaalsContact CD1-CZ 3.41Å; I422-Y579 WeakPolarHBondContact CD1-OH 3.47Å; T575-Y579 HydrophobicContact CG2-CD2 3.98Å; T575-Y579 HydrophobicContact CG2-CE2 3.71Å; T575-Y579 VanDerWaalsContact O-CD2 3.24Å; T575-Y579 WeakPolarHBondContact O-CD2 3.33Å; T575-Y579 PolarHBondContact O-N 3.48Å; Y579-R581 VanDerWaalsContact C-N 3.31Å; Y579-R581 PolarHBondContact O-N 3.38Å; Y579-E582 PolarHBondContact O-N 3.31Å; Y579-G583 PolarHBondContact O-N 2.84Å; Y579-Y584 AromaticContact CD1-CD2 3.81Å; Y579-Y584 HydrophobicContact CD1-CD2 3.81Å; Y579-Y584 HydrophobicContact CD1-CE2 4.23Å; Y579-Y584 WeakPolarHBondContact O-CB 3.46Å; Y579-Y584 WeakPolarHBondContact O-CD2 3.22Å; Y579-Y584 PolarHBondContact O-N 3.24Å; Y579-Y584 VanDerWaalsContact O-N 3.08Å; Y579-I620 HydrophobicContact CD1-CD1 3.51Å; Y579-I620 HydrophobicContact CD1-CG2 4.25Å; Y579-I620 HydrophobicContact CD2-CD1 3.72Å; Y579-I620 HydrophobicContact CE1-CD1 3.54Å; Y579-I620 HydrophobicContact CE2-CD1 3.8Å; Y579-I620 HydrophobicContact CG-CD1 3.59Å
580T75.8Confident84.2Confident31 Ų3151.3 Ų51.319%0.1924%0.235CC..Hα-helixtrans-69.1-28.7177.552.90000112.8L576 L577 G583 V586L576-T580 HydrophobicContact CD1-CG2 3.82Å; L576-T580 HydrophobicContact CG-CG2 4.35Å; L576-T580 WeakPolarHBondContact O-CB 3.39Å; L576-T580 VanDerWaalsContact O-CG2 3.26Å; L576-T580 WeakPolarHBondContact O-CG2 3.19Å; L576-T580 PolarHBondContact O-N 3.07Å; L576-T580 PolarHBondContact O-OG1 3.01Å; L577-T580 WeakPolarHBondContact CA-OG1 3.2Å; L577-T580 PolarHBondContact O-OG1 2.97Å; T580-G583 PolarHBondContact O-N 2.77Å; T580-V586 HydrophobicContact CG2-CB 4.41Å; T580-V586 HydrophobicContact CG2-CG2 3.94Å
581R69.7Low84.7Confident92 Ų9241.8 Ų41.835%0.34720%0.199SC..Hα-helixtrans-69.6-36.5173.4-82.7174.5176.2174-0.3112.8L577 E578 Y579 G583 D767L577-R581 HydrophobicContact CD1-CG 4.01Å; L577-R581 HydrophobicContact CG-CG 4.25Å; L577-R581 WeakPolarHBondContact O-CB 3.39Å; L577-R581 WeakPolarHBondContact O-CD 3.1Å; L577-R581 WeakPolarHBondContact O-CG 3.18Å; L577-R581 PolarHBondContact O-N 3.42Å; E578-R581 PolarHBondContact O-N 3.48Å; Y579-R581 VanDerWaalsContact C-N 3.31Å; Y579-R581 PolarHBondContact O-N 3.38Å; R581-G583 PolarHBondContact O-N 3.28Å; R581-D767 VanDerWaalsContact NH2-CB 3.31Å; R581-D767 IonicContact NH2-OD2 2.85Å; R581-D767 PolarHBondContact NH2-OD2 3.14Å
582E74.3Confident85.2Confident100 Ų10040.5 Ų40.547%0.46719%0.191SC..THydrogen-bonded Turntrans-75.42.6173.4-67-61.915000112.8E578 Y579 Y584 K770E578-E582 PolarHBondContact O-N 3.15Å; Y579-E582 PolarHBondContact O-N 3.31Å; E582-Y584 HydrophobicContact CB-CD2 3.7Å; E582-Y584 HydrophobicContact CB-CE2 3.59Å; E582-Y584 HydrophobicContact CG-CE2 4.49Å; E582-K770 IonicContact OE2-NZ 3.97Å
583G69.1Low85.4Confident9 Ų943.3 Ų43.39%0.09321%0.21CC..THydrogen-bonded Turntrans892.2174.100000115Y579 T580 R581 S656Y579-G583 PolarHBondContact O-N 2.84Å; T580-G583 PolarHBondContact O-N 2.77Å; R581-G583 PolarHBondContact O-N 3.28Å; G583-S656 WeakPolarHBondContact CA-OG 3.33Å
584Y82.8Confident85.6Confident49 Ų4940.5 Ų40.519%0.19220%0.198CC..  trans-67.8142.7178.1-62.4-71.5000111.6W419 Y579 E582 V586 I620 M621 E622W419-Y584 HydrophobicContact CB-CE1 4.41Å; W419-Y584 AromaticContact CD1-CE1 3.58Å; W419-Y584 AromaticContact CD1-CZ 3.97Å; W419-Y584 HydrophobicContact CG-CD1 4.4Å; W419-Y584 AromaticContact CG-CE1 3.95Å; W419-Y584 HydrophobicContact CG-CE1 3.95Å; W419-Y584 AromaticContact NE1-CE1 3.99Å; W419-Y584 AromaticContact NE1-CZ 3.9Å; Y579-Y584 AromaticContact CD1-CD2 3.81Å; Y579-Y584 HydrophobicContact CD1-CD2 3.81Å; Y579-Y584 HydrophobicContact CD1-CE2 4.23Å; Y579-Y584 WeakPolarHBondContact O-CB 3.46Å; Y579-Y584 WeakPolarHBondContact O-CD2 3.22Å; Y579-Y584 PolarHBondContact O-N 3.24Å; Y579-Y584 VanDerWaalsContact O-N 3.08Å; E582-Y584 HydrophobicContact CB-CD2 3.7Å; E582-Y584 HydrophobicContact CB-CE2 3.59Å; E582-Y584 HydrophobicContact CG-CE2 4.49Å; Y584-V586 PolarHBondContact O-N 3.3Å; Y584-I620 HydrophobicContact CD1-CG2 3.86Å; Y584-I620 HydrophobicContact CD2-CG2 4.42Å; Y584-I620 HydrophobicContact CG-CG2 3.72Å; Y584-M621 CarbonylContact C-O 3.58Å; Y584-M621 WeakPolarHBondContact CA-O 3.34Å; Y584-E622 HydrophobicContact CD1-CB 3.75Å; Y584-E622 HydrophobicContact CE1-CB 3.78Å
585R82.2Confident85.8Confident96 Ų9646.5 Ų46.536%0.36222%0.215SC..EExtended strand (participates in β ladder)trans-83.8111.1167.7-172.6176.1-176.7169.5-6.3108.4L416 M621L416-R585 HydrophobicContact CD2-CB 4.04Å; L416-R585 HydrophobicContact CD2-CG 4.3Å; R585-M621 HydrophobicContact CB-CB 4.37Å; R585-M621 HydrophobicContact CG-CE 4.24Å; R585-M621 PolarHBondContact N-O 3.33Å; R585-M621 PolarHBondContact O-N 3.15Å
586V87.5Confident85.8Confident11 Ų1147 Ų477%0.06722%0.221CC..EExtended strand (participates in β ladder)trans-101.8130-179.5-171.80000109.6P556 L576 T580 Y584 L618 L619P556-V586 WeakPolarHBondContact CD-O 3.22Å; P556-V586 HydrophobicContact CG-CB 4.31Å; P556-V586 HydrophobicContact CG-CG1 4.03Å; L576-V586 HydrophobicContact CD1-CB 3.86Å; L576-V586 HydrophobicContact CD1-CG1 3.73Å; L576-V586 HydrophobicContact CD1-CG2 4.24Å; T580-V586 HydrophobicContact CG2-CB 4.41Å; T580-V586 HydrophobicContact CG2-CG2 3.94Å; Y584-V586 PolarHBondContact O-N 3.3Å; V586-L618 HydrophobicContact CG1-CB 3.98Å; V586-L618 HydrophobicContact CG1-CD1 4.07Å; V586-L618 HydrophobicContact CG1-CD2 3.89Å; V586-L618 HydrophobicContact CG1-CG 4.19Å; V586-L619 CarbonylContact C-O 3.51Å; V586-L619 WeakPolarHBondContact CA-O 3.44Å
587L91.2Very high85.8Confident16 Ų1650.7 Ų50.78%0.08425%0.245CC..EExtended strand (participates in β ladder)trans-116.6140.4168.4-69.2-178.6000109.5L466 G554 L618 L619 M621L466-L587 HydrophobicContact CD1-CD1 3.88Å; L466-L587 HydrophobicContact CD2-CD1 3.73Å; L466-L587 HydrophobicContact CG-CD1 4.26Å; G554-L587 WeakPolarHBondContact O-CA 3.49Å; G554-L587 WeakPolarHBondContact O-CD2 3.49Å; L587-L618 CarbonylContact O-C 3.57Å; L587-L618 WeakPolarHBondContact O-CA 3.48Å; L587-L619 HydrophobicContact CB-CB 4.25Å; L587-L619 HydrophobicContact CD1-CD2 4.2Å; L587-L619 PolarHBondContact N-O 3.17Å; L587-L619 PolarHBondContact O-N 3.07Å; L587-M621 HydrophobicContact CD1-CE 3.76Å; L587-M621 HydrophobicContact CG-CE 3.98Å
588A95Very high85.9Confident0 Ų052.8 Ų52.80%025%0.251CS..EExtended strand (participates in β ladder)trans-91.8143170.300000110.4K553 G554 P556 I559 F615 L618K553-A588 WeakPolarHBondContact CA-O 3.12Å; G554-A588 PolarHBondContact N-O 3.02Å; G554-A588 VanDerWaalsContact N-O 3.15Å; G554-A588 PolarHBondContact O-N 3.3Å; P556-A588 HydrophobicContact CB-CB 4.18Å; P556-A588 HydrophobicContact CG-CB 4.32Å; I559-A588 HydrophobicContact CB-CB 3.57Å; I559-A588 HydrophobicContact CG1-CB 3.8Å; I559-A588 HydrophobicContact CG2-CB 3.72Å; A588-F615 HydrophobicContact CB-CE2 3.88Å; A588-L618 HydrophobicContact CB-CD2 4.08Å
589L96.6Very high85.8Confident0 Ų050.9 Ų50.90%025%0.249CC..EExtended strand (participates in β ladder)trans-113140176.2-55.1179.5000109.1L444 L448 K553 L616 G617 L619L444-L589 HydrophobicContact CD1-CD1 3.73Å; L448-L589 HydrophobicContact CD2-CD1 3.8Å; L448-L589 HydrophobicContact CG-CD1 4.46Å; K553-L589 HydrophobicContact CB-CD2 3.5Å; K553-L589 VanDerWaalsContact CB-CD2 3.5Å; L589-L616 HydrophobicContact CB-CB 4.09Å; L589-L616 PolarHBondContact O-N 3.16Å; L589-G617 PolarHBondContact N-O 2.96Å; L589-L619 HydrophobicContact CD1-CB 4.29Å; L589-L619 HydrophobicContact CG-CB 4.4Å
590A96.6Very high85.8Confident0 Ų055 Ų550%027%0.267CS..EExtended strand (participates in β ladder)trans-149.3157.5177.900000111.3T552 I559 C563 L613 Q614T552-A590 PolarHBondContact N-O 3.39Å; T552-A590 PolarHBondContact O-N 2.92Å; I559-A590 HydrophobicContact CG2-CB 3.67Å; C563-A590 VanDerWaalsContact SG-CB 3.5Å; A590-L613 HydrophobicContact CB-CB 3.93Å; A590-L613 HydrophobicContact CB-CD1 4.2Å; A590-Q614 CarbonylContact C-O 3.1Å; A590-Q614 WeakPolarHBondContact CA-O 3.13Å; A590-Q614 WeakPolarHBondContact CB-O 3.26Å
591W96.4Very high86.3Confident43 Ų4353.6 Ų53.616%0.16326%0.259CS..EExtended strand (participates in β ladder)trans-147164.7-179.386.1-55.4000113.5P443 I550 Y551 Q614 L616P443-W591 HydrophobicContact CB-CD2 3.62Å; P443-W591 HydrophobicContact CB-CE3 3.91Å; P443-W591 HydrophobicContact CB-CG 4.03Å; P443-W591 HydrophobicContact CB-CH2 4.33Å; P443-W591 HydrophobicContact CB-CZ2 4.08Å; P443-W591 HydrophobicContact CB-CZ3 4.25Å; P443-W591 HydrophobicContact CG-CD2 4.06Å; P443-W591 HydrophobicContact CG-CE3 4.16Å; P443-W591 HydrophobicContact CG-CH2 3.7Å; P443-W591 HydrophobicContact CG-CZ2 3.58Å; P443-W591 HydrophobicContact CG-CZ3 3.99Å; I550-W591 CarbonylContact O-C 3.58Å; I550-W591 WeakPolarHBondContact O-CA 3.25Å; I550-W591 WeakPolarHBondContact O-CB 3.4Å; Y551-W591 HydrophobicContact CD1-CB 3.52Å; Y551-W591 HydrophobicContact CE1-CB 3.61Å; Y551-W591 HydrophobicContact CE1-CD2 4.26Å; Y551-W591 AromaticContact CE1-CE3 3.88Å; Y551-W591 HydrophobicContact CE1-CE3 3.88Å; Y551-W591 HydrophobicContact CE1-CG 4.19Å; W591-Q614 PolarHBondContact N-O 2.89Å; W591-Q614 WeakPolarHBondContact O-CB 3.29Å; W591-Q614 PolarHBondContact O-N 3.34Å; W591-L616 HydrophobicContact CB-CD1 3.7Å; W591-L616 HydrophobicContact CB-CG 4.24Å; W591-L616 HydrophobicContact CG-CD1 3.92Å; W591-L616 HydrophobicContact CG-CD2 4.09Å; W591-L616 HydrophobicContact CG-CG 4.08Å
592K94.9Very high86.7Confident23 Ų2353.1 Ų53.110%0.126%0.262CS..EExtended strand (participates in β ladder)trans-155.3149.7163.269.2179.4179.6-172.10112.3I550 R608 V609 Q611 L613I550-K592 HydrophobicContact CB-CG 3.94Å; I550-K592 HydrophobicContact CD1-CD 4.21Å; I550-K592 HydrophobicContact CD1-CG 3.92Å; I550-K592 HydrophobicContact CG1-CG 4.43Å; I550-K592 HydrophobicContact CG2-CG 4.5Å; I550-K592 PolarHBondContact N-O 3.33Å; I550-K592 PolarHBondContact O-N 2.86Å; K592-R608 PolarHBondContact NZ-O 3.18Å; K592-V609 WeakPolarHBondContact CE-O 3.46Å; K592-V609 PolarHBondContact NZ-O 3.47Å; K592-Q611 WeakPolarHBondContact CD-O 3.49Å; K592-Q611 WeakPolarHBondContact CE-O 3.46Å; K592-Q611 PolarHBondContact NZ-O 3.38Å; K592-L613 HydrophobicContact CB-CD2 4.26Å; K592-L613 HydrophobicContact CD-CD2 3.88Å; K592-L613 HydrophobicContact CG-CD2 3.83Å
593P93.7Very high87Confident62 Ų6258.4 Ų58.440%0.40328%0.278SS..EExtended strand (participates in β ladder)trans-75138.4168.830.6-33.9000111
594L90.9Very high87.7Confident34 Ų3459 Ų5918%0.17828%0.28CS..EExtended strand (participates in β ladder)trans-118.9110.4176.817970.2000110.5F548 I550 A596 V601F548-L594 HydrophobicContact CB-CB 4.13Å; F548-L594 HydrophobicContact CB-CD2 4.42Å; F548-L594 WeakPolarHBondContact CB-O 3.37Å; F548-L594 PolarHBondContact N-O 2.93Å; F548-L594 VanDerWaalsContact N-O 3.07Å; F548-L594 WeakPolarHBondContact O-CA 3.39Å; F548-L594 PolarHBondContact O-N 3.36Å; I550-L594 HydrophobicContact CD1-CB 3.83Å; I550-L594 HydrophobicContact CD1-CD1 4.36Å; I550-L594 HydrophobicContact CD1-CD2 4.07Å; I550-L594 HydrophobicContact CD1-CG 4.29Å; I550-L594 HydrophobicContact CG1-CB 4.16Å; I550-L594 HydrophobicContact CG1-CD2 4.47Å; L594-A596 HydrophobicContact CD1-CB 4.22Å; L594-A596 HydrophobicContact CD2-CB 4.04Å; L594-A596 HydrophobicContact CG-CB 3.87Å; L594-A596 PolarHBondContact O-N 3.25Å; L594-V601 HydrophobicContact CD2-CG2 4.13Å
595K88.1Confident87.9Confident193 Ų19359.1 Ų59.184%0.83929%0.288SS*.  trans-87.896.5167.6-63.1-175.4-177.2179.80109.3
596A85.4Confident88.1Confident25 Ų2556.7 Ų56.721%0.20728%0.279CS..  trans-145.4159.117800000110.4F548 L594 K600 V601F548-A596 WeakPolarHBondContact CD2-O 3.47Å; F548-A596 WeakPolarHBondContact CE2-O 3.41Å; L594-A596 HydrophobicContact CD1-CB 4.22Å; L594-A596 HydrophobicContact CD2-CB 4.04Å; L594-A596 HydrophobicContact CG-CB 3.87Å; L594-A596 PolarHBondContact O-N 3.25Å; A596-K600 HydrophobicContact CB-CB 4.4Å; A596-K600 HydrophobicContact CB-CD 4.2Å; A596-K600 HydrophobicContact CB-CG 4.49Å; A596-V601 HydrophobicContact CB-CG2 4.1Å
597T85.2Confident88Confident101 Ų10161.7 Ų61.762%0.6231%0.305SS*.  trans-77.7151.2169.5-39.70000110.1T599 K600 V601T597-T599 VanDerWaalsContact C-N 3.27Å; T597-T599 PolarHBondContact O-N 3.46Å; T597-K600 WeakPolarHBondContact O-CA 3.17Å; T597-K600 WeakPolarHBondContact O-CB 3.2Å; T597-K600 PolarHBondContact O-N 3.45Å; T597-V601 PolarHBondContact O-N 3.42Å; T597-V601 VanDerWaalsContact O-N 3.09Å
598Y81.8Confident87.8Confident63 Ų6368.5 Ų68.525%0.24733%0.329CS..Hα-helixtrans-49.8-44.1177.8178.6-111.5000113.3M490 A491 L524 K600 V601 L602M490-Y598 HydrophobicContact CB-CD2 4.08Å; M490-Y598 HydrophobicContact CB-CE1 4.35Å; M490-Y598 HydrophobicContact CB-CE2 3.91Å; M490-Y598 HydrophobicContact CB-CG 4.37Å; M490-Y598 HydrophobicContact CE-CD2 4.17Å; M490-Y598 HydrophobicContact CE-CG 4.34Å; M490-Y598 HydrophobicContact CG-CD2 4.2Å; M490-Y598 HydrophobicContact CG-CE2 4.09Å; M490-Y598 HydrophobicContact SD-CD2 3.5Å; M490-Y598 VanDerWaalsContact SD-CD2 3.5Å; M490-Y598 HydrophobicContact SD-CE2 3.91Å; M490-Y598 HydrophobicContact SD-CG 4.24Å; A491-Y598 PolarHBondContact O-OH 3.33Å; L524-Y598 HydrophobicContact CD2-CD2 3.96Å; L524-Y598 HydrophobicContact CD2-CE2 3.84Å; Y598-K600 PolarHBondContact O-N 2.81Å; Y598-V601 WeakPolarHBondContact O-CB 3.21Å; Y598-V601 PolarHBondContact O-N 2.72Å; Y598-L602 HydrophobicContact CD1-CD1 4.2Å; Y598-L602 HydrophobicContact CE1-CD1 3.67Å; Y598-L602 HydrophobicContact CE1-CG 4.38Å; Y598-L602 HydrophobicContact CE2-CD2 4.39Å; Y598-L602 HydrophobicContact CE2-CG 4.45Å; Y598-L602 PolarHBondContact O-N 3.4Å; Y598-L602 VanDerWaalsContact O-N 3.15Å
599T81.2Confident87.5Confident85 Ų8568.5 Ų68.552%0.52133%0.33SS..Hα-helixtrans-60.3-32.8177.9-25.40000113T597T597-T599 VanDerWaalsContact C-N 3.27Å; T597-T599 PolarHBondContact O-N 3.46Å
600K84.4Confident87.3Confident123 Ų12368.8 Ų68.854%0.53533%0.331SS..Hα-helixtrans-76.7-35.6176.9-171.2176.5-179.7-178.50111.2A596 T597 Y598 L602 R603 V604A596-K600 HydrophobicContact CB-CB 4.4Å; A596-K600 HydrophobicContact CB-CD 4.2Å; A596-K600 HydrophobicContact CB-CG 4.49Å; T597-K600 WeakPolarHBondContact O-CA 3.17Å; T597-K600 WeakPolarHBondContact O-CB 3.2Å; T597-K600 PolarHBondContact O-N 3.45Å; Y598-K600 PolarHBondContact O-N 2.81Å; K600-L602 VanDerWaalsContact C-N 3.31Å; K600-L602 PolarHBondContact O-N 2.87Å; K600-R603 PolarHBondContact O-N 3.12Å; K600-V604 PolarHBondContact O-N 3.2Å
601V84.3Confident87.1Confident1 Ų173.1 Ų73.11%0.00635%0.351CS..Hα-helixtrans-60.7-39.8175.4171.10000111.5R525 I539 F548 L594 A596 T597 Y598 R603 V604R525-V601 PolarHBondContact NH1-O 3.08Å; I539-V601 HydrophobicContact CB-CG1 4.35Å; I539-V601 HydrophobicContact CD1-CG1 3.89Å; I539-V601 HydrophobicContact CG2-CG1 3.8Å; F548-V601 HydrophobicContact CD1-CG2 4.36Å; F548-V601 HydrophobicContact CD2-CG2 3.8Å; F548-V601 HydrophobicContact CE1-CG2 4.47Å; F548-V601 HydrophobicContact CE2-CG2 3.93Å; F548-V601 HydrophobicContact CG-CG2 4.03Å; F548-V601 HydrophobicContact CZ-CG2 4.26Å; L594-V601 HydrophobicContact CD2-CG2 4.13Å; A596-V601 HydrophobicContact CB-CG2 4.1Å; T597-V601 PolarHBondContact O-N 3.42Å; T597-V601 VanDerWaalsContact O-N 3.09Å; Y598-V601 WeakPolarHBondContact O-CB 3.21Å; Y598-V601 PolarHBondContact O-N 2.72Å; V601-R603 VanDerWaalsContact C-N 3.25Å; V601-R603 PolarHBondContact O-N 3Å; V601-V604 WeakPolarHBondContact O-CG1 3.12Å
602L78.6Confident87Confident81 Ų8176.1 Ų76.142%0.42437%0.37SS..Hα-helixtrans-66.9-24177.5-65.4176.1000113.8R525 Y598 K600R525-L602 VanDerWaalsContact CZ-O 3.3Å; R525-L602 PolarHBondContact NH1-O 3.27Å; R525-L602 VanDerWaalsContact NH1-O 3.09Å; Y598-L602 HydrophobicContact CD1-CD1 4.2Å; Y598-L602 HydrophobicContact CE1-CD1 3.67Å; Y598-L602 HydrophobicContact CE1-CG 4.38Å; Y598-L602 HydrophobicContact CE2-CD2 4.39Å; Y598-L602 HydrophobicContact CE2-CG 4.45Å; Y598-L602 PolarHBondContact O-N 3.4Å; Y598-L602 VanDerWaalsContact O-N 3.15Å; K600-L602 VanDerWaalsContact C-N 3.31Å; K600-L602 PolarHBondContact O-N 2.87Å
603R80.3Confident87Confident212 Ų21275 Ų7580%0.837%0.366SS*.Hα-helixtrans-109.9-7.4-175.6-65-177.5-179.3175.10.4114.8K600 V601 S605K600-R603 PolarHBondContact O-N 3.12Å; V601-R603 VanDerWaalsContact C-N 3.25Å; V601-R603 PolarHBondContact O-N 3Å; R603-S605 PolarHBondContact O-N 3.16Å
604V84.9Confident87.1Confident21 Ų2175.1 Ų75.113%0.12736%0.361CS..  trans-60.9136.9-177.272.50000110.6R525 F527 I539 K600 V601 R608 V609R525-V604 PolarHBondContact NH1-O 3.27Å; F527-V604 HydrophobicContact CZ-CG1 4.3Å; I539-V604 HydrophobicContact CD1-CG1 3.79Å; K600-V604 PolarHBondContact O-N 3.2Å; V601-V604 WeakPolarHBondContact O-CG1 3.12Å; V604-R608 HydrophobicContact CG2-CB 3.93Å; V604-V609 HydrophobicContact CB-CG2 4.35Å; V604-V609 HydrophobicContact CG1-CG2 3.46Å; V604-V609 VanDerWaalsContact CG1-CG2 3.46Å; V604-V609 HydrophobicContact CG2-CG2 3.94Å
605S86.2Confident87.3Confident52 Ų5273.7 Ų73.736%0.36435%0.353SS..  trans-75.1153.6174.861.90000110.9R603 D607 R608 V609R603-S605 PolarHBondContact O-N 3.16Å; S605-D607 VanDerWaalsContact C-N 3.3Å; S605-D607 PolarHBondContact O-N 3.19Å; S605-R608 PolarHBondContact O-N 3.32Å; S605-V609 PolarHBondContact O-N 3.28Å
606R86.3Confident87.6Confident45 Ų4565.4 Ų65.417%0.1732%0.318CS..Hα-helixtrans-56.7-43.2178.7-175.4172.5-177.3151.58.8112F527 P528 L533 R535 R608 V609 E610F527-R606 HydrophobicContact CB-CG 4.49Å; F527-R606 HydrophobicContact CD1-CB 3.8Å; F527-R606 HydrophobicContact CD1-CG 3.89Å; F527-R606 HydrophobicContact CE1-CB 3.92Å; F527-R606 HydrophobicContact CE1-CG 4.46Å; F527-R606 HydrophobicContact CG-CG 4.3Å; P528-R606 PolarHBondContact O-NH1 3.17Å; L533-R606 VanDerWaalsContact CD1-CZ 3.41Å; R535-R606 PolarHBondContact O-NH2 3.05Å; R606-R608 VanDerWaalsContact C-N 3.28Å; R606-R608 PolarHBondContact O-N 3.12Å; R606-V609 WeakPolarHBondContact O-CA 3.41Å; R606-V609 WeakPolarHBondContact O-CB 3.39Å; R606-V609 PolarHBondContact O-N 3.31Å; R606-E610 VanDerWaalsContact CG-CD 3.49Å; R606-E610 HydrophobicContact CG-CG 4.26Å; R606-E610 WeakPolarHBondContact CG-OE2 3.42Å; R606-E610 IonicContact CZ-OE1 2.71Å; R606-E610 VanDerWaalsContact CZ-OE1 3.22Å; R606-E610 VanDerWaalsContact NE-CD 3.29Å; R606-E610 IonicContact NE-OE1 2.8Å; R606-E610 PolarHBondContact NE-OE1 3.17Å; R606-E610 IonicContact NE-OE2 2.76Å; R606-E610 PolarHBondContact NE-OE2 3.07Å; R606-E610 IonicContact NH2-OE1 3.22Å; R606-E610 PolarHBondContact NH2-OE1 3.22Å; R606-E610 PolarHBondContact O-N 3.46Å
607D86Confident88.1Confident115 Ų11564.2 Ų64.262%0.61531%0.308SS*.Hα-helixtrans-60.2-36.1-178.4-48.3-56.5000112.8S605 E610S605-D607 VanDerWaalsContact C-N 3.3Å; S605-D607 PolarHBondContact O-N 3.19Å; D607-E610 CarbonylContact O-C 3.59Å
608R87.6Confident88.5Confident159 Ų15959.4 Ų59.460%0.628%0.279SS*.Hα-helixtrans-75.1-26.6176.6-71.9-172.5175.9-173.50112.9K592 V604 S605 R606K592-R608 PolarHBondContact NZ-O 3.18Å; V604-R608 HydrophobicContact CG2-CB 3.93Å; S605-R608 PolarHBondContact O-N 3.32Å; R606-R608 VanDerWaalsContact C-N 3.28Å; R606-R608 PolarHBondContact O-N 3.12Å
609V89.1Confident89Confident1 Ų156.4 Ų56.41%0.00627%0.267CS..Hα-helixtrans-74-40.8174.71740000109.6F527 I539 I550 K592 V604 S605 R606 Q611F527-V609 HydrophobicContact CD2-CG1 4.16Å; F527-V609 HydrophobicContact CE2-CB 4.17Å; F527-V609 HydrophobicContact CE2-CG1 3.98Å; F527-V609 HydrophobicContact CE2-CG2 3.74Å; F527-V609 HydrophobicContact CZ-CG2 3.88Å; I539-V609 HydrophobicContact CD1-CG2 4.02Å; I539-V609 HydrophobicContact CG1-CG1 4.46Å; I550-V609 HydrophobicContact CB-CG1 4.48Å; I550-V609 HydrophobicContact CD1-CB 4.45Å; I550-V609 HydrophobicContact CD1-CG1 3.95Å; I550-V609 HydrophobicContact CG1-CG1 4.13Å; I550-V609 HydrophobicContact CG2-CG1 3.52Å; K592-V609 WeakPolarHBondContact CE-O 3.46Å; K592-V609 PolarHBondContact NZ-O 3.47Å; V604-V609 HydrophobicContact CB-CG2 4.35Å; V604-V609 HydrophobicContact CG1-CG2 3.46Å; V604-V609 VanDerWaalsContact CG1-CG2 3.46Å; V604-V609 HydrophobicContact CG2-CG2 3.94Å; S605-V609 PolarHBondContact O-N 3.28Å; R606-V609 WeakPolarHBondContact O-CA 3.41Å; R606-V609 WeakPolarHBondContact O-CB 3.39Å; R606-V609 PolarHBondContact O-N 3.31Å; V609-Q611 PolarHBondContact O-N 2.91Å
610E92.2Very high89.5Confident5 Ų552.4 Ų52.42%0.02324%0.242CC..SBendtrans-96.151.4-174.9-64.6176.2162.500112.5R535 S537 L562 R606 D607R535-E610 IonicContact CZ-OE2 3.46Å; R535-E610 IonicContact NE-OE1 2.86Å; R535-E610 PolarHBondContact NE-OE1 2.81Å; R535-E610 IonicContact NE-OE2 2.86Å; R535-E610 PolarHBondContact NE-OE2 3.33Å; R535-E610 IonicContact NH2-OE2 3.22Å; R535-E610 PolarHBondContact NH2-OE2 2.96Å; S537-E610 VanDerWaalsContact OG-CG 3.31Å; S537-E610 WeakPolarHBondContact OG-CG 3.36Å; S537-E610 PolarHBondContact OG-OE1 3Å; L562-E610 HydrophobicContact CD1-CB 4.33Å; L562-E610 WeakPolarHBondContact CD2-O 3.3Å; R606-E610 VanDerWaalsContact CG-CD 3.49Å; R606-E610 HydrophobicContact CG-CG 4.26Å; R606-E610 WeakPolarHBondContact CG-OE2 3.42Å; R606-E610 IonicContact CZ-OE1 2.71Å; R606-E610 VanDerWaalsContact CZ-OE1 3.22Å; R606-E610 VanDerWaalsContact NE-CD 3.29Å; R606-E610 IonicContact NE-OE1 2.8Å; R606-E610 PolarHBondContact NE-OE1 3.17Å; R606-E610 IonicContact NE-OE2 2.76Å; R606-E610 PolarHBondContact NE-OE2 3.07Å; R606-E610 IonicContact NH2-OE1 3.22Å; R606-E610 PolarHBondContact NH2-OE1 3.22Å; R606-E610 PolarHBondContact O-N 3.46Å; D607-E610 CarbonylContact O-C 3.59Å
611Q91.6Very high89.6Confident91 Ų9146.5 Ų46.543%0.42522%0.217SC..SBendtrans-139.4152.8175.471.8-17823.800110.7K592 V609 L613K592-Q611 WeakPolarHBondContact CD-O 3.49Å; K592-Q611 WeakPolarHBondContact CE-O 3.46Å; K592-Q611 PolarHBondContact NZ-O 3.38Å; V609-Q611 PolarHBondContact O-N 2.91Å; Q611-L613 PolarHBondContact O-N 3.19Å
612D93.8Very high89.5Confident106 Ų10648.3 Ų48.357%0.56723%0.225SC*.SBendtrans5139.4176.2-52.8-48.1000113.9L562 R564L562-D612 PolarHBondContact O-N 3.3Å; R564-D612 HydrophobicContact CG-CB 4.27Å
613L96.1Very high89.4Confident0 Ų045.5 Ų45.50%021%0.21CC..BIsolated β-bridgetrans-72158.5179.2-60171.7000110.9I550 T552 L562 C563 R564 A590 K592 Q611I550-L613 HydrophobicContact CG2-CD2 4.33Å; T552-L613 HydrophobicContact CG2-CD1 4.03Å; L562-L613 HydrophobicContact CB-CD1 3.92Å; L562-L613 PolarHBondContact O-N 2.94Å; C563-L613 CarbonylContact C-O 3.47Å; C563-L613 WeakPolarHBondContact CA-O 3.37Å; R564-L613 PolarHBondContact N-O 2.91Å; A590-L613 HydrophobicContact CB-CB 3.93Å; A590-L613 HydrophobicContact CB-CD1 4.2Å; K592-L613 HydrophobicContact CB-CD2 4.26Å; K592-L613 HydrophobicContact CD-CD2 3.88Å; K592-L613 HydrophobicContact CG-CD2 3.83Å; Q611-L613 PolarHBondContact O-N 3.19Å
614Q95.3Very high89.4Confident64 Ų6441.9 Ų41.930%0.29920%0.197SC..EExtended strand (participates in β ladder)trans-104.8129.1169.3-59.2-174.9-0.600108.7T567 A590 W591T567-Q614 HydrophobicContact CG2-CB 4.11Å; T567-Q614 HydrophobicContact CG2-CG 4.1Å; A590-Q614 CarbonylContact C-O 3.1Å; A590-Q614 WeakPolarHBondContact CA-O 3.13Å; A590-Q614 WeakPolarHBondContact CB-O 3.26Å; W591-Q614 PolarHBondContact N-O 2.89Å; W591-Q614 WeakPolarHBondContact O-CB 3.29Å; W591-Q614 PolarHBondContact O-N 3.34Å
615F95.8Very high89.6Confident4 Ų443 Ų432%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-67.1138.6177.1-175.9-102000111.3Y424 F429 T567 I568 P569 F572 A588 G617 L618Y424-F615 HydrophobicContact CD2-CD1 4.03Å; Y424-F615 HydrophobicContact CG-CD1 4.12Å; F429-F615 AromaticContact CE1-CE1 3.71Å; F429-F615 HydrophobicContact CE1-CE1 3.71Å; F429-F615 AromaticContact CE1-CZ 3.92Å; F429-F615 HydrophobicContact CE1-CZ 3.92Å; F429-F615 HydrophobicContact CZ-CE1 4.28Å; F429-F615 HydrophobicContact CZ-CZ 4.32Å; T567-F615 WeakPolarHBondContact O-CB 3.46Å; T567-F615 PolarHBondContact OG1-N 3.01Å; I568-F615 HydrophobicContact CD1-CB 3.93Å; I568-F615 HydrophobicContact CD1-CD2 4.1Å; I568-F615 HydrophobicContact CD1-CG 4.08Å; P569-F615 HydrophobicContact CG-CD1 4.14Å; P569-F615 HydrophobicContact CG-CE1 3.85Å; F572-F615 HydrophobicContact CD2-CE2 4.26Å; F572-F615 HydrophobicContact CD2-CZ 4.03Å; F572-F615 HydrophobicContact CE2-CD2 4.34Å; F572-F615 AromaticContact CE2-CE2 3.56Å; F572-F615 HydrophobicContact CE2-CE2 3.56Å; F572-F615 AromaticContact CE2-CZ 3.69Å; F572-F615 HydrophobicContact CE2-CZ 3.69Å; A588-F615 HydrophobicContact CB-CE2 3.88Å; F615-G617 VanDerWaalsContact CZ-C 3.5Å; F615-G617 WeakPolarHBondContact CZ-O 3.26Å; F615-L618 HydrophobicContact CE2-CD2 4.16Å; F615-L618 HydrophobicContact CZ-CD2 3.82Å; F615-L618 HydrophobicContact CZ-CG 4.08Å
616L94.6Very high89.8Confident20 Ų2040.9 Ų40.911%0.10519%0.186CC..EExtended strand (participates in β ladder)trans-112.1-31.3-178.4-76.9176.8000113.9Y424 P443 L444 C447 L589 W591Y424-L616 WeakPolarHBondContact CB-O 3.37Å; Y424-L616 PolarHBondContact N-O 3.42Å; P443-L616 HydrophobicContact CB-CD1 4.31Å; P443-L616 HydrophobicContact CB-CD2 3.82Å; L444-L616 HydrophobicContact CD1-CB 4.06Å; C447-L616 HydrophobicContact CB-CD1 4.06Å; L589-L616 HydrophobicContact CB-CB 4.09Å; L589-L616 PolarHBondContact O-N 3.16Å; W591-L616 HydrophobicContact CB-CD1 3.7Å; W591-L616 HydrophobicContact CB-CG 4.24Å; W591-L616 HydrophobicContact CG-CD1 3.92Å; W591-L616 HydrophobicContact CG-CD2 4.09Å; W591-L616 HydrophobicContact CG-CG 4.08Å
617G94.4Very high90Very high0 Ų043.7 Ų43.70%021%0.21CC..EExtended strand (participates in β ladder)trans153.1-177.5-174.600000113.4I422 L589 F615I422-G617 CarbonylContact O-C 3.46Å; I422-G617 WeakPolarHBondContact O-CA 3.28Å; L589-G617 PolarHBondContact N-O 2.96Å; F615-G617 VanDerWaalsContact CZ-C 3.5Å; F615-G617 WeakPolarHBondContact CZ-O 3.26Å
618L94.3Very high90.3Very high0 Ų041.3 Ų41.30%020%0.195CC..EExtended strand (participates in β ladder)trans-111.4129.2176.8-61.3177.6000110.4I421 I422 F429 F572 V586 L587 A588 F615I421-L618 CarbonylContact C-O 3.58Å; I421-L618 WeakPolarHBondContact CA-O 3.48Å; I422-L618 HydrophobicContact CB-CB 4.34Å; I422-L618 PolarHBondContact N-O 3.47Å; I422-L618 PolarHBondContact O-N 3.05Å; F429-L618 HydrophobicContact CE1-CD1 3.83Å; F429-L618 HydrophobicContact CE1-CG 3.81Å; F429-L618 HydrophobicContact CZ-CD1 3.7Å; F429-L618 HydrophobicContact CZ-CG 4.09Å; F572-L618 HydrophobicContact CE2-CD2 4.12Å; V586-L618 HydrophobicContact CG1-CB 3.98Å; V586-L618 HydrophobicContact CG1-CD1 4.07Å; V586-L618 HydrophobicContact CG1-CD2 3.89Å; V586-L618 HydrophobicContact CG1-CG 4.19Å; L587-L618 CarbonylContact O-C 3.57Å; L587-L618 WeakPolarHBondContact O-CA 3.48Å; A588-L618 HydrophobicContact CB-CD2 4.08Å; F615-L618 HydrophobicContact CE2-CD2 4.16Å; F615-L618 HydrophobicContact CZ-CD2 3.82Å; F615-L618 HydrophobicContact CZ-CG 4.08Å
619L93.3Very high90.6Very high0 Ų033.7 Ų33.70%017%0.167CC..EExtended strand (participates in β ladder)trans-93.2124.4167.9174.269.2000108.6M418 I421 L448 M470 V586 L587 L589 M621M418-L619 HydrophobicContact CG-CD1 4.23Å; M418-L619 HydrophobicContact SD-CD1 3.42Å; M418-L619 WeakPolarHBondContact SD-CD1 3.25Å; I421-L619 HydrophobicContact CD1-CD1 3.89Å; I421-L619 HydrophobicContact CG1-CD1 3.55Å; L448-L619 HydrophobicContact CD2-CD1 4.25Å; M470-L619 HydrophobicContact CB-CD2 4.42Å; M470-L619 HydrophobicContact CG-CD2 3.89Å; M470-L619 HydrophobicContact SD-CD2 3.93Å; V586-L619 CarbonylContact C-O 3.51Å; V586-L619 WeakPolarHBondContact CA-O 3.44Å; L587-L619 HydrophobicContact CB-CB 4.25Å; L587-L619 HydrophobicContact CD1-CD2 4.2Å; L587-L619 PolarHBondContact N-O 3.17Å; L587-L619 PolarHBondContact O-N 3.07Å; L589-L619 HydrophobicContact CD1-CB 4.29Å; L589-L619 HydrophobicContact CG-CB 4.4Å; L619-M621 HydrophobicContact CD2-CE 4.37Å; L619-M621 HydrophobicContact CD2-SD 4.44Å
620I91.1Very high90.9Very high0 Ų035.6 Ų35.60%018%0.178CC..EExtended strand (participates in β ladder)trans-114.4127.6-175.4-57.3179.4000109.1W419 G420 I422 Y579 Y584W419-I620 HydrophobicContact CB-CB 4.46Å; W419-I620 HydrophobicContact CB-CG2 4.02Å; W419-I620 WeakPolarHBondContact CB-O 3.05Å; W419-I620 HydrophobicContact CD2-CG2 4.06Å; W419-I620 HydrophobicContact CE3-CB 3.81Å; W419-I620 HydrophobicContact CE3-CD1 4.01Å; W419-I620 HydrophobicContact CE3-CG1 4.49Å; W419-I620 HydrophobicContact CE3-CG2 3.73Å; W419-I620 HydrophobicContact CG-CG2 4.21Å; W419-I620 HydrophobicContact CZ3-CD1 3.89Å; W419-I620 PolarHBondContact N-O 3.04Å; G420-I620 PolarHBondContact N-O 3.04Å; G420-I620 PolarHBondContact O-N 3.41Å; I422-I620 HydrophobicContact CD1-CD1 3.32Å; I422-I620 HydrophobicContact CD1-CG1 4.47Å; I422-I620 HydrophobicContact CG1-CD1 3.65Å; I422-I620 HydrophobicContact CG1-CG1 4.49Å; Y579-I620 HydrophobicContact CD1-CD1 3.51Å; Y579-I620 HydrophobicContact CD1-CG2 4.25Å; Y579-I620 HydrophobicContact CD2-CD1 3.72Å; Y579-I620 HydrophobicContact CE1-CD1 3.54Å; Y579-I620 HydrophobicContact CE2-CD1 3.8Å; Y579-I620 HydrophobicContact CG-CD1 3.59Å; Y584-I620 HydrophobicContact CD1-CG2 3.86Å; Y584-I620 HydrophobicContact CD2-CG2 4.42Å; Y584-I620 HydrophobicContact CG-CG2 3.72Å
621M86.3Confident91Very high0 Ų041.8 Ų41.80%021%0.207CC..EExtended strand (participates in β ladder)trans-128.9154.5177.8-65.3172.6-68.900110.3L416 D417 L466 Y584 R585 L587 L619L416-M621 HydrophobicContact CB-CB 4.41Å; L416-M621 HydrophobicContact CB-SD 4.23Å; L416-M621 HydrophobicContact CD2-CB 3.86Å; L416-M621 HydrophobicContact CD2-CE 4.34Å; L416-M621 HydrophobicContact CD2-SD 4.23Å; D417-M621 CarbonylContact O-C 3.59Å; D417-M621 WeakPolarHBondContact O-CA 3.32Å; D417-M621 WeakPolarHBondContact O-CB 3.35Å; L466-M621 HydrophobicContact CD1-CE 3.6Å; L466-M621 HydrophobicContact CD1-SD 4.24Å; L466-M621 HydrophobicContact CD2-CE 4.38Å; L466-M621 HydrophobicContact CG-CE 3.71Å; L466-M621 HydrophobicContact CG-SD 3.75Å; Y584-M621 CarbonylContact C-O 3.58Å; Y584-M621 WeakPolarHBondContact CA-O 3.34Å; R585-M621 HydrophobicContact CB-CB 4.37Å; R585-M621 HydrophobicContact CG-CE 4.24Å; R585-M621 PolarHBondContact N-O 3.33Å; R585-M621 PolarHBondContact O-N 3.15Å; L587-M621 HydrophobicContact CD1-CE 3.76Å; L587-M621 HydrophobicContact CG-CE 3.98Å; L619-M621 HydrophobicContact CD2-CE 4.37Å; L619-M621 HydrophobicContact CD2-SD 4.44Å
622E81.4Confident91.2Very high38 Ų3837.9 Ų37.918%0.17819%0.189CC..EExtended strand (participates in β ladder)trans-119.9144.1178.160.7-177.3-16900112.3D417 Y584 R624D417-E622 HydrophobicContact CB-CG 4.22Å; D417-E622 PolarHBondContact N-O 3.13Å; D417-E622 VanDerWaalsContact N-O 3.16Å; D417-E622 PolarHBondContact O-N 3.24Å; Y584-E622 HydrophobicContact CD1-CB 3.75Å; Y584-E622 HydrophobicContact CE1-CB 3.78Å; E622-R624 HydrophobicContact CG-CG 4.19Å; E622-R624 IonicContact OE1-CZ 3.23Å; E622-R624 IonicContact OE1-NE 3.17Å; E622-R624 PolarHBondContact OE1-NE 3.42Å; E622-R624 IonicContact OE1-NH2 3.36Å; E622-R624 PolarHBondContact OE1-NH2 3.15Å
623N76.7Confident91.2Very high23 Ų2332.8 Ų32.812%0.12316%0.162CC..  trans-100.593.2170.8-88.946.7000108.3K407 T412 L416K407-N623 PolarHBondContact NZ-ND2 3.12Å; T412-N623 HydrophobicContact CG2-CB 4.1Å; L416-N623 VanDerWaalsContact CD2-OD1 3.23Å; L416-N623 WeakPolarHBondContact CD2-OD1 3.41Å
624R81.8Confident91.1Very high135 Ų13538.2 Ų38.251%0.50919%0.187SC..PPolyproline II helixtrans-67.9137.5179.7-67.8179.9176.3174.81.2111.2T412 E413 D417 E622T412-R624 CarbonylContact C-O 3.58Å; T412-R624 WeakPolarHBondContact CA-O 3.12Å; T412-R624 VanDerWaalsContact CB-O 3.23Å; T412-R624 WeakPolarHBondContact CB-O 3.48Å; E413-R624 PolarHBondContact N-O 3.49Å; D417-R624 IonicContact OD2-CZ 3.69Å; D417-R624 IonicContact OD2-NE 3.86Å; D417-R624 IonicContact OD2-NH1 2.71Å; D417-R624 PolarHBondContact OD2-NH1 3.12Å; E622-R624 HydrophobicContact CG-CG 4.19Å; E622-R624 IonicContact OE1-CZ 3.23Å; E622-R624 IonicContact OE1-NE 3.17Å; E622-R624 PolarHBondContact OE1-NE 3.42Å; E622-R624 IonicContact OE1-NH2 3.36Å; E622-R624 PolarHBondContact OE1-NH2 3.15Å
625L88.1Confident91Very high45 Ų4537.5 Ų37.524%0.23619%0.188CC..BIsolated β-bridgetrans-67142.6170.4-72.5174.9000110.6T412 T629 V657 D660 C661T412-L625 HydrophobicContact CG2-CD2 4.21Å; L625-T629 HydrophobicContact CD2-CG2 4.16Å; L625-V657 HydrophobicContact CD2-CG1 3.77Å; L625-D660 VanDerWaalsContact CD1-C 3.49Å; L625-D660 HydrophobicContact CD1-CB 3.64Å; L625-C661 HydrophobicContact CD1-CB 3.99Å; L625-C661 HydrophobicContact CD2-CB 4.09Å
626K90.1Very high91Very high7 Ų737.3 Ų37.33%0.0319%0.187CC..PPolyproline II helixtrans-63.3141.1167-65-176.1169.7174.20109.1G409 L411 T412 E413 D414 E628 T629 Q999 N1000G409-K626 PolarHBondContact O-NZ 2.93Å; L411-K626 PolarHBondContact O-N 3.09Å; T412-K626 VanDerWaalsContact O-CE 3.22Å; T412-K626 WeakPolarHBondContact O-CE 3.31Å; E413-K626 HydrophobicContact CG-CG 4.35Å; D414-K626 IonicContact OD1-NZ 2.72Å; D414-K626 PolarHBondContact OD1-NZ 3.19Å; K626-E628 PolarHBondContact O-N 3.39Å; K626-E628 VanDerWaalsContact O-N 3.13Å; K626-T629 WeakPolarHBondContact CB-OG1 3.43Å; K626-T629 VanDerWaalsContact O-CB 3.29Å; K626-T629 WeakPolarHBondContact O-CB 3.34Å; K626-T629 PolarHBondContact O-N 3.34Å; K626-T629 PolarHBondContact O-OG1 3.38Å; K626-Q999 WeakPolarHBondContact CD-O 3.44Å; K626-Q999 WeakPolarHBondContact CE-O 3.32Å; K626-Q999 PolarHBondContact NZ-O 3.05Å; K626-N1000 HydrophobicContact CD-CB 4.38Å
627P90.4Very high90.8Very high104 Ų10440.4 Ų40.468%0.67520%0.197SC*.THydrogen-bonded Turntrans-61.2-27.9-172.121.1-30.9000113.5
628E92.3Very high90.6Very high65 Ų6548.4 Ų48.430%0.30423%0.228SC..THydrogen-bonded Turntrans-82.5-15.3177.7-55.882.1-178.800113.9K626 T630 Q631 V632 N1000K626-E628 PolarHBondContact O-N 3.39Å; K626-E628 VanDerWaalsContact O-N 3.13Å; E628-T630 PolarHBondContact O-N 2.96Å; E628-Q631 PolarHBondContact O-N 3.43Å; E628-V632 HydrophobicContact CB-CG2 4.5Å; E628-V632 VanDerWaalsContact O-CG2 3.32Å; E628-V632 WeakPolarHBondContact O-CG2 3.15Å; E628-V632 PolarHBondContact O-N 3.22Å; E628-N1000 VanDerWaalsContact CD-ND2 3.27Å; E628-N1000 PolarHBondContact OE1-ND2 2.96Å; E628-N1000 PolarHBondContact OE2-ND2 3.38Å
629T94.8Very high90.4Very high0 Ų048.4 Ų48.40%023%0.229CC..Hα-helixtrans-58.3-55.6-168.4-68.80000112.1L411 L625 K626 Q631 V632 I633 C661 I1001L411-T629 HydrophobicContact CB-CG2 4.07Å; L411-T629 HydrophobicContact CD2-CG2 3.52Å; L411-T629 HydrophobicContact CG-CG2 4.38Å; L411-T629 PolarHBondContact O-OG1 3.03Å; L625-T629 HydrophobicContact CD2-CG2 4.16Å; K626-T629 WeakPolarHBondContact CB-OG1 3.43Å; K626-T629 VanDerWaalsContact O-CB 3.29Å; K626-T629 WeakPolarHBondContact O-CB 3.34Å; K626-T629 PolarHBondContact O-N 3.34Å; K626-T629 PolarHBondContact O-OG1 3.38Å; T629-Q631 VanDerWaalsContact C-N 3.33Å; T629-Q631 PolarHBondContact O-N 3.48Å; T629-V632 PolarHBondContact O-N 3.15Å; T629-I633 HydrophobicContact CG2-CG1 4.41Å; T629-I633 WeakPolarHBondContact O-CG1 3.35Å; T629-I633 PolarHBondContact O-N 3.15Å; T629-C661 HydrophobicContact CG2-CB 3.78Å; T629-I1001 HydrophobicContact CG2-CD1 4.2Å
630T93.9Very high90.1Very high41 Ų4154.2 Ų54.225%0.25226%0.26SS..Hα-helixtrans-59.2-43.7-177.9-49.40000111.7E628 V632 I633 E634 E662E628-T630 PolarHBondContact O-N 2.96Å; T630-V632 VanDerWaalsContact C-N 3.34Å; T630-V632 PolarHBondContact O-N 3.4Å; T630-I633 PolarHBondContact O-N 3.42Å; T630-E634 PolarHBondContact O-N 3.05Å; T630-E662 HydrophobicContact CG2-CB 4.44Å; T630-E662 HydrophobicContact CG2-CG 3.98Å
631Q94.2Very high90.2Very high135 Ų13554.3 Ų54.363%0.63126%0.26SS*.Hα-helixtrans-63.5-38.5179.4-172.9-178.527.100112.6E628 T629 T635E628-Q631 PolarHBondContact O-N 3.43Å; T629-Q631 VanDerWaalsContact C-N 3.33Å; T629-Q631 PolarHBondContact O-N 3.48Å; Q631-T635 WeakPolarHBondContact O-CB 3.36Å; Q631-T635 PolarHBondContact O-N 3Å; Q631-T635 PolarHBondContact O-OG1 3.22Å
632V96.1Very high90.6Very high8 Ų856.4 Ų56.45%0.04827%0.268CS..Hα-helixtrans-69.6-43.8177.9172.10000110.7E628 T629 T630 E634 T635 L636 I1001 P1005E628-V632 HydrophobicContact CB-CG2 4.5Å; E628-V632 VanDerWaalsContact O-CG2 3.32Å; E628-V632 WeakPolarHBondContact O-CG2 3.15Å; E628-V632 PolarHBondContact O-N 3.22Å; T629-V632 PolarHBondContact O-N 3.15Å; T630-V632 VanDerWaalsContact C-N 3.34Å; T630-V632 PolarHBondContact O-N 3.4Å; V632-E634 VanDerWaalsContact C-N 3.35Å; V632-E634 PolarHBondContact O-N 3.39Å; V632-T635 WeakPolarHBondContact O-CB 3.32Å; V632-T635 PolarHBondContact O-N 3.33Å; V632-L636 HydrophobicContact CG1-CD1 4.08Å; V632-L636 HydrophobicContact CG1-CG 4.42Å; V632-L636 WeakPolarHBondContact O-CG 3.48Å; V632-L636 PolarHBondContact O-N 3.45Å; V632-I1001 HydrophobicContact CB-CD1 3.72Å; V632-I1001 HydrophobicContact CB-CG1 3.88Å; V632-I1001 HydrophobicContact CG1-CB 4.39Å; V632-I1001 HydrophobicContact CG1-CD1 3.59Å; V632-I1001 HydrophobicContact CG1-CG1 3.83Å; V632-I1001 HydrophobicContact CG2-CG1 4.17Å; V632-P1005 HydrophobicContact CG1-CG 4.05Å; V632-P1005 HydrophobicContact CG2-CG 4.43Å
633I95.3Very high91.2Very high0 Ų055.1 Ų55.10%026%0.263CS..Hα-helixtrans-60.7-44.6177.1-64.6-60.5000110.9F405 L411 T629 T630 T635 L636 R637 P643 C661 M663 I1001F405-I633 HydrophobicContact CD2-CD1 4.22Å; F405-I633 HydrophobicContact CE2-CD1 3.92Å; F405-I633 HydrophobicContact CZ-CD1 4.36Å; L411-I633 HydrophobicContact CD2-CD1 4.41Å; T629-I633 HydrophobicContact CG2-CG1 4.41Å; T629-I633 WeakPolarHBondContact O-CG1 3.35Å; T629-I633 PolarHBondContact O-N 3.15Å; T630-I633 PolarHBondContact O-N 3.42Å; I633-T635 VanDerWaalsContact C-N 3.33Å; I633-T635 PolarHBondContact O-N 3.22Å; I633-L636 PolarHBondContact O-N 2.92Å; I633-R637 HydrophobicContact CG2-CG 4.48Å; I633-R637 WeakPolarHBondContact O-CG 3.17Å; I633-R637 PolarHBondContact O-N 2.93Å; I633-P643 HydrophobicContact CD1-CB 3.96Å; I633-P643 HydrophobicContact CG2-CB 4.41Å; I633-P643 HydrophobicContact CG2-CG 4.18Å; I633-C661 WeakPolarHBondContact CB-O 3.45Å; I633-C661 HydrophobicContact CG1-CB 4.47Å; I633-C661 WeakPolarHBondContact CG2-O 3.23Å; I633-M663 HydrophobicContact CD1-CE 4.09Å; I633-M663 HydrophobicContact CG2-CB 4.21Å; I633-I1001 HydrophobicContact CD1-CD1 4.16Å; I633-I1001 HydrophobicContact CG1-CD1 4.33Å
634E93.3Very high92.2Very high113 Ų11354 Ų5453%0.52826%0.257SS..Hα-helixtrans-58.4-45.5174.4-169.1-167.1177.300111.3T630 V632 L636 R637 Y638T630-E634 PolarHBondContact O-N 3.05Å; V632-E634 VanDerWaalsContact C-N 3.35Å; V632-E634 PolarHBondContact O-N 3.39Å; E634-L636 VanDerWaalsContact C-N 3.3Å; E634-L636 PolarHBondContact O-N 2.98Å; E634-R637 PolarHBondContact O-N 3.44Å; E634-Y638 WeakPolarHBondContact O-CB 3.33Å; E634-Y638 PolarHBondContact O-N 3.16Å
635T93.7Very high92.9Very high50 Ų5047.6 Ų47.631%0.30723%0.233SC..Hα-helixtrans-60.6-39.2178.1-61.30000112.1Q631 V632 I633 A639 P1005 L1075Q631-T635 WeakPolarHBondContact O-CB 3.36Å; Q631-T635 PolarHBondContact O-N 3Å; Q631-T635 PolarHBondContact O-OG1 3.22Å; V632-T635 WeakPolarHBondContact O-CB 3.32Å; V632-T635 PolarHBondContact O-N 3.33Å; I633-T635 VanDerWaalsContact C-N 3.33Å; I633-T635 PolarHBondContact O-N 3.22Å; T635-A639 WeakPolarHBondContact O-CB 3.22Å; T635-A639 PolarHBondContact O-N 2.89Å; T635-A639 VanDerWaalsContact O-N 3.13Å; T635-P1005 HydrophobicContact CG2-CB 4.3Å; T635-L1075 HydrophobicContact CG2-CB 4.31Å; T635-L1075 HydrophobicContact CG2-CD2 4.38Å
636L94.7Very high93.2Very high0 Ų045.6 Ų45.60%022%0.222CC..Hα-helixtrans-70.1-45.8177.6-67.5172.5000111.5A403 F405 V632 I633 E634 Y638 A639 N640 I641 V1004 I1008 L1075A403-L636 HydrophobicContact CB-CD1 4.3Å; F405-L636 HydrophobicContact CE2-CD1 3.96Å; F405-L636 HydrophobicContact CZ-CD1 3.54Å; V632-L636 HydrophobicContact CG1-CD1 4.08Å; V632-L636 HydrophobicContact CG1-CG 4.42Å; V632-L636 WeakPolarHBondContact O-CG 3.48Å; V632-L636 PolarHBondContact O-N 3.45Å; I633-L636 PolarHBondContact O-N 2.92Å; E634-L636 VanDerWaalsContact C-N 3.3Å; E634-L636 PolarHBondContact O-N 2.98Å; L636-Y638 PolarHBondContact O-N 3.41Å; L636-A639 CarbonylContact O-C 3.58Å; L636-A639 WeakPolarHBondContact O-CA 3.48Å; L636-A639 PolarHBondContact O-N 2.96Å; L636-A639 VanDerWaalsContact O-N 3.08Å; L636-N640 PolarHBondContact O-N 3.45Å; L636-I641 CarbonylContact C-O 3.55Å; L636-I641 HydrophobicContact CB-CB 4.27Å; L636-I641 HydrophobicContact CD2-CB 4.22Å; L636-I641 HydrophobicContact CD2-CD1 4.12Å; L636-I641 HydrophobicContact CD2-CG2 4.22Å; L636-I641 PolarHBondContact O-N 3.45Å; L636-I641 VanDerWaalsContact O-O 3.14Å; L636-V1004 HydrophobicContact CD1-CG1 4.44Å; L636-V1004 HydrophobicContact CD2-CG1 4.38Å; L636-I1008 HydrophobicContact CD2-CD1 4.05Å; L636-L1075 HydrophobicContact CD2-CD2 4.15Å
637R90.9Very high93.2Very high84 Ų8445.3 Ų45.332%0.31722%0.221SC..Hα-helixtrans-59.2-46.6175.6-72.6-17870.9-159.3-0.8111.1I633 E634 A639 N640 P643 E662 D665I633-R637 HydrophobicContact CG2-CG 4.48Å; I633-R637 WeakPolarHBondContact O-CG 3.17Å; I633-R637 PolarHBondContact O-N 2.93Å; E634-R637 PolarHBondContact O-N 3.44Å; R637-A639 PolarHBondContact O-N 3.29Å; R637-N640 PolarHBondContact O-N 2.84Å; R637-P643 HydrophobicContact CG-CG 3.95Å; R637-E662 VanDerWaalsContact CD-O 3.26Å; R637-E662 WeakPolarHBondContact CD-O 3.42Å; R637-E662 PolarHBondContact NH1-O 2.81Å; R637-D665 IonicContact NH2-OD2 2.63Å
638Y90Very high92.8Very high168 Ų16842.2 Ų42.266%0.65921%0.209SC*.Hα-helixtrans-57.8-36175.1179.8-93000112.1E634 L636 N640 V1077E634-Y638 WeakPolarHBondContact O-CB 3.33Å; E634-Y638 PolarHBondContact O-N 3.16Å; L636-Y638 PolarHBondContact O-N 3.41Å; Y638-N640 PolarHBondContact O-N 2.85Å; Y638-V1077 HydrophobicContact CE1-CG2 4.36Å
639A89.3Confident92.1Very high1 Ų140.9 Ų40.91%0.00820%0.203CC..THydrogen-bonded Turntrans-81.310.2176.400000114.5T635 L636 R637 I641 L1075 S1076 V1077T635-A639 WeakPolarHBondContact O-CB 3.22Å; T635-A639 PolarHBondContact O-N 2.89Å; T635-A639 VanDerWaalsContact O-N 3.13Å; L636-A639 CarbonylContact O-C 3.58Å; L636-A639 WeakPolarHBondContact O-CA 3.48Å; L636-A639 PolarHBondContact O-N 2.96Å; L636-A639 VanDerWaalsContact O-N 3.08Å; R637-A639 PolarHBondContact O-N 3.29Å; A639-I641 HydrophobicContact CB-CD1 4.32Å; A639-I641 HydrophobicContact CB-CG1 4.1Å; A639-I641 PolarHBondContact O-N 3.49Å; A639-L1075 HydrophobicContact CB-CB 4.21Å; A639-L1075 HydrophobicContact CB-CD2 3.4Å; A639-L1075 VanDerWaalsContact CB-CD2 3.4Å; A639-L1075 HydrophobicContact CB-CG 3.55Å; A639-S1076 WeakPolarHBondContact CB-O 3.34Å; A639-V1077 VanDerWaalsContact O-O 3.07Å
640N88.3Confident91.1Very high122 Ų12242.8 Ų42.865%0.65221%0.214SC*.THydrogen-bonded Turntrans53.530.1-173.5-76.7-18.2000113.6L636 R637 Y638 V1077L636-N640 PolarHBondContact O-N 3.45Å; R637-N640 PolarHBondContact O-N 2.84Å; Y638-N640 PolarHBondContact O-N 2.85Å; N640-V1077 HydrophobicContact CB-CG1 3.95Å; N640-V1077 WeakPolarHBondContact ND2-CG1 3.23Å
641I93Very high90.5Very high2 Ų241.1 Ų41.11%0.0120%0.203CC..PPolyproline II helixtrans-98.3118.6171.7-54.1-173.6000106.9I400 A403 L636 A639 P643 I1008 L1075I400-I641 HydrophobicContact CG2-CG2 4.32Å; A403-I641 HydrophobicContact CB-CG2 4.2Å; L636-I641 CarbonylContact C-O 3.55Å; L636-I641 HydrophobicContact CB-CB 4.27Å; L636-I641 HydrophobicContact CD2-CB 4.22Å; L636-I641 HydrophobicContact CD2-CD1 4.12Å; L636-I641 HydrophobicContact CD2-CG2 4.22Å; L636-I641 PolarHBondContact O-N 3.45Å; L636-I641 VanDerWaalsContact O-O 3.14Å; A639-I641 HydrophobicContact CB-CD1 4.32Å; A639-I641 HydrophobicContact CB-CG1 4.1Å; A639-I641 PolarHBondContact O-N 3.49Å; I641-P643 WeakPolarHBondContact O-CD 3.47Å; I641-I1008 HydrophobicContact CD1-CD1 3.69Å; I641-I1008 HydrophobicContact CD1-CG2 4Å; I641-L1075 HydrophobicContact CD1-CD2 3.89Å
642R93.4Very high89.8Confident44 Ų4435.7 Ų35.717%0.16618%0.179CC..EExtended strand (participates in β ladder)trans-76.5117.7-173.9177.7-179.1179.9-117.52.6110.8N401 V402 A403 V644 V933 V934 G936N401-R642 PolarHBondContact O-N 2.86Å; V402-R642 WeakPolarHBondContact CA-O 3.26Å; V402-R642 HydrophobicContact CG2-CB 4.16Å; A403-R642 PolarHBondContact N-O 3.28Å; R642-V644 HydrophobicContact CG-CG2 4.19Å; R642-V933 PolarHBondContact NH1-O 3.25Å; R642-V934 VanDerWaalsContact CZ-O 3.3Å; R642-V934 PolarHBondContact NH2-O 2.7Å; R642-G936 VanDerWaalsContact NH2-N 3.17Å; R642-G936 PolarHBondContact NH2-O 3.08Å
643P95.9Very high88.9Confident11 Ų1136.3 Ų36.37%0.07118%0.182CC..EExtended strand (participates in β ladder)trans-76.6141.1168.933.1-34.9000110.7A403 F405 I633 R637 I641 M663A403-P643 CarbonylContact O-C 3.45Å; A403-P643 WeakPolarHBondContact O-CA 3.37Å; F405-P643 HydrophobicContact CE2-CB 4.25Å; I633-P643 HydrophobicContact CD1-CB 3.96Å; I633-P643 HydrophobicContact CG2-CB 4.41Å; I633-P643 HydrophobicContact CG2-CG 4.18Å; R637-P643 HydrophobicContact CG-CG 3.95Å; I641-P643 WeakPolarHBondContact O-CD 3.47Å; P643-M663 HydrophobicContact CB-CE 4.18Å; P643-M663 HydrophobicContact CB-CG 3.89Å; P643-M663 HydrophobicContact CB-SD 4.31Å; P643-M663 HydrophobicContact CG-CG 3.77Å
644V96.7Very high88.4Confident0 Ų036.3 Ų36.30%018%0.182CC..EExtended strand (participates in β ladder)trans-137.5131.3175.91770000108.4V402 A403 C404 F405 R642 V646 F939V402-V644 HydrophobicContact CG1-CG2 4.01Å; A403-V644 PolarHBondContact O-N 2.88Å; C404-V644 CarbonylContact C-O 3.54Å; C404-V644 VanDerWaalsContact CA-O 3.28Å; C404-V644 WeakPolarHBondContact CA-O 3.35Å; F405-V644 PolarHBondContact N-O 3.02Å; R642-V644 HydrophobicContact CG-CG2 4.19Å; V644-V646 HydrophobicContact CG1-CG2 4.05Å; V644-F939 HydrophobicContact CG1-CD2 3.71Å; V644-F939 HydrophobicContact CG1-CE2 3.7Å
645M96.3Very high88Confident0 Ų030.9 Ų30.90%016%0.157CC..EExtended strand (participates in β ladder)trans-94.5131.5174-173.4-173.7-70.300110.1F405 K407 L411 T647 A654 V657 A658 M663 T937 V938 F939F405-M645 WeakPolarHBondContact O-CA 3.41Å; K407-M645 HydrophobicContact CB-CG 4.21Å; K407-M645 HydrophobicContact CB-SD 3.99Å; K407-M645 HydrophobicContact CG-CE 4.16Å; K407-M645 HydrophobicContact CG-SD 3.9Å; L411-M645 HydrophobicContact CD1-CE 3.67Å; L411-M645 HydrophobicContact CD1-CG 4.34Å; M645-T647 HydrophobicContact CG-CG2 4.27Å; M645-T647 HydrophobicContact SD-CG2 4.16Å; M645-A654 HydrophobicContact SD-CB 3.86Å; M645-V657 HydrophobicContact CE-CB 4.02Å; M645-V657 HydrophobicContact CE-CG1 3.67Å; M645-A658 HydrophobicContact CE-CB 3.89Å; M645-M663 HydrophobicContact CB-CE 4.05Å; M645-M663 HydrophobicContact CB-SD 3.76Å; M645-M663 HydrophobicContact CE-CE 4.41Å; M645-M663 PolarHBondContact N-SD 3.3Å; M645-T937 PolarHBondContact N-O 3.02Å; M645-V938 HydrophobicContact CB-CG2 4.35Å; M645-F939 PolarHBondContact O-N 3.42Å
646V95Very high87.4Confident2 Ų229.2 Ų29.21%0.01215%0.147CC..EExtended strand (participates in β ladder)trans-131.7101178.3-167.10000108.7C404 F405 V644 F939 F942 K947 L950C404-V646 HydrophobicContact CB-CG2 4.21Å; F405-V646 PolarHBondContact O-N 2.98Å; V644-V646 HydrophobicContact CG1-CG2 4.05Å; V646-F939 CarbonylContact C-O 3.56Å; V646-F939 WeakPolarHBondContact CA-O 3.48Å; V646-F939 HydrophobicContact CG1-CB 4.21Å; V646-F939 HydrophobicContact CG2-CD2 4.47Å; V646-F942 HydrophobicContact CG1-CB 4.23Å; V646-F942 HydrophobicContact CG1-CD1 4.12Å; V646-F942 HydrophobicContact CG1-CG 4.34Å; V646-K947 HydrophobicContact CG1-CB 4.24Å; V646-K947 HydrophobicContact CG1-CD 4.39Å; V646-K947 HydrophobicContact CG1-CG 3.79Å; V646-K947 WeakPolarHBondContact O-CE 3.46Å; V646-L950 HydrophobicContact CB-CD2 4.33Å; V646-L950 HydrophobicContact CG1-CD2 3.84Å; V646-L950 HydrophobicContact CG2-CD2 3.48Å; V646-L950 VanDerWaalsContact CG2-CD2 3.48Å
647T89.2Confident87.1Confident1 Ų129.4 Ų29.41%0.00615%0.148CC..  trans-130.9153.4-169.81770000113.2K407 M645 D649 A654 F939 A940 R941 F942K407-T647 HydrophobicContact CB-CG2 4.16Å; M645-T647 HydrophobicContact CG-CG2 4.27Å; M645-T647 HydrophobicContact SD-CG2 4.16Å; T647-D649 VanDerWaalsContact C-N 3.29Å; T647-D649 HydrophobicContact CG2-CB 4.17Å; T647-D649 WeakPolarHBondContact OG1-CB 3.19Å; T647-D649 PolarHBondContact OG1-N 3.17Å; T647-D649 PolarHBondContact OG1-OD2 3.04Å; T647-A654 HydrophobicContact CG2-CB 3.67Å; T647-F939 PolarHBondContact N-O 3.39Å; T647-A940 HydrophobicContact CG2-CB 4.39Å; T647-A940 CarbonylContact O-C 3.6Å; T647-A940 VanDerWaalsContact O-C 3.31Å; T647-A940 WeakPolarHBondContact O-CA 3.43Å; T647-R941 PolarHBondContact O-N 2.91Å; T647-F942 PolarHBondContact O-N 3.46Å
648G81.6Confident87Confident40 Ų4025.4 Ų25.441%0.41213%0.133SC..SBendtrans-78.9-6.7167.300000114.4R941G648-R941 VanDerWaalsContact O-CD 3.3Å; G648-R941 WeakPolarHBondContact O-CD 3.46Å
649D77.8Confident86.9Confident36 Ų3619.2 Ų19.219%0.19311%0.109CC..SBendtrans-75.4169.6-176.3-71.5-67.1000114.4K407 T408 T647 R941K407-D649 HydrophobicContact CD-CB 4.35Å; K407-D649 WeakPolarHBondContact CD-OD2 3.35Å; K407-D649 WeakPolarHBondContact CE-OD2 3.42Å; K407-D649 IonicContact NZ-OD1 3.2Å; K407-D649 PolarHBondContact NZ-OD1 2.81Å; K407-D649 IonicContact NZ-OD2 2.79Å; K407-D649 PolarHBondContact NZ-OD2 3.4Å; T408-D649 PolarHBondContact OG1-OD2 3.43Å; T647-D649 VanDerWaalsContact C-N 3.29Å; T647-D649 HydrophobicContact CG2-CB 4.17Å; T647-D649 WeakPolarHBondContact OG1-CB 3.19Å; T647-D649 PolarHBondContact OG1-N 3.17Å; T647-D649 PolarHBondContact OG1-OD2 3.04Å; D649-R941 WeakPolarHBondContact O-CD 3.43Å; D649-R941 WeakPolarHBondContact O-CG 3.45Å; D649-R941 PolarHBondContact O-N 2.73Å
650N74.7Confident86.8Confident40 Ų4022.9 Ų22.921%0.21413%0.128CC..  trans-59141171.4-170.3-41.5000110.9L652 T653 A654N650-L652 VanDerWaalsContact C-N 3.32Å; N650-L652 PolarHBondContact O-N 3.48Å; N650-L652 PolarHBondContact OD1-N 2.87Å; N650-T653 PolarHBondContact O-N 3.35Å; N650-A654 WeakPolarHBondContact O-CB 3.44Å; N650-A654 PolarHBondContact O-N 2.84Å
651M81.4Confident86.9Confident7 Ų717.1 Ų17.13%0.03410%0.097CC..Hα-helixtrans-50.9-45.7176.9-174.660.97800113.6A654 L655 L672 A912 I913 V938 A940M651-A654 PolarHBondContact O-N 2.89Å; M651-L655 HydrophobicContact CG-CD1 3.97Å; M651-L655 HydrophobicContact CG-CG 4.41Å; M651-L655 WeakPolarHBondContact O-CB 3.35Å; M651-L655 VanDerWaalsContact O-CG 3.3Å; M651-L655 WeakPolarHBondContact O-CG 3.44Å; M651-L655 PolarHBondContact O-N 3.28Å; M651-L655 HydrophobicContact SD-CD1 4.24Å; M651-L655 HydrophobicContact SD-CG 4.22Å; M651-L672 HydrophobicContact CE-CD2 4.42Å; M651-L672 HydrophobicContact CG-CD2 3.72Å; M651-L672 HydrophobicContact SD-CD2 4.13Å; M651-A912 HydrophobicContact CE-CB 4.19Å; M651-A912 HydrophobicContact SD-CB 3.69Å; M651-I913 WeakPolarHBondContact CE-O 3.29Å; M651-V938 HydrophobicContact SD-CG1 4.18Å; M651-A940 HydrophobicContact CB-CB 4.16Å; M651-A940 HydrophobicContact CE-CB 3.75Å; M651-A940 HydrophobicContact SD-CB 3.75Å
652L78.8Confident86.7Confident21 Ų2121.3 Ų21.311%0.1112%0.117CC..Hα-helixtrans-66.1-45-175.7-66177.7000111.7N650 A654 L655 S656 V1275 F1283N650-L652 VanDerWaalsContact C-N 3.32Å; N650-L652 PolarHBondContact O-N 3.48Å; N650-L652 PolarHBondContact OD1-N 2.87Å; L652-A654 VanDerWaalsContact C-N 3.34Å; L652-A654 PolarHBondContact O-N 3.43Å; L652-L655 PolarHBondContact O-N 3.36Å; L652-S656 PolarHBondContact O-N 2.71Å; L652-V1275 HydrophobicContact CD1-CG1 4.28Å; L652-V1275 HydrophobicContact CD2-CG1 4.06Å; L652-F1283 HydrophobicContact CD1-CD1 4.34Å; L652-F1283 HydrophobicContact CD1-CE1 4.17Å; L652-F1283 HydrophobicContact CD2-CE1 3.9Å; L652-F1283 HydrophobicContact CD2-CZ 4.39Å; L652-F1283 HydrophobicContact CG-CD1 4.21Å; L652-F1283 HydrophobicContact CG-CE1 3.82Å
653T76.8Confident86.6Confident20 Ų2019.4 Ų19.412%0.12311%0.11CC..Hα-helixtrans-61.1-43.7174.1-47.60000111.2N650 L655 S656 V657N650-T653 PolarHBondContact O-N 3.35Å; T653-L655 VanDerWaalsContact C-N 3.34Å; T653-L655 PolarHBondContact O-N 2.91Å; T653-S656 PolarHBondContact O-N 2.92Å; T653-V657 VanDerWaalsContact O-CG2 3.32Å; T653-V657 WeakPolarHBondContact O-CG2 3.2Å; T653-V657 PolarHBondContact O-N 3.26Å
654A85Confident86.3Confident0 Ų019 Ų190%011%0.107CC..Hα-helixtrans-62.4-40.6177.900000112.2M645 T647 N650 M651 L652 A658 V938 A940M645-A654 HydrophobicContact SD-CB 3.86Å; T647-A654 HydrophobicContact CG2-CB 3.67Å; N650-A654 WeakPolarHBondContact O-CB 3.44Å; N650-A654 PolarHBondContact O-N 2.84Å; M651-A654 PolarHBondContact O-N 2.89Å; L652-A654 VanDerWaalsContact C-N 3.34Å; L652-A654 PolarHBondContact O-N 3.43Å; A654-A658 VanDerWaalsContact O-CB 3.25Å; A654-A658 WeakPolarHBondContact O-CB 3.35Å; A654-A658 PolarHBondContact O-N 3.43Å; A654-V938 HydrophobicContact CB-CG1 3.67Å; A654-A940 HydrophobicContact CB-CB 4.23Å
655L86.2Confident85.6Confident0 Ų022.2 Ų22.20%012%0.124CC..Hα-helixtrans-68.6-39177.2-74.5173.8000113M651 L652 T653 A658 R659 I664 I670 L672 L768 A912 V938M651-L655 HydrophobicContact CG-CD1 3.97Å; M651-L655 HydrophobicContact CG-CG 4.41Å; M651-L655 WeakPolarHBondContact O-CB 3.35Å; M651-L655 VanDerWaalsContact O-CG 3.3Å; M651-L655 WeakPolarHBondContact O-CG 3.44Å; M651-L655 PolarHBondContact O-N 3.28Å; M651-L655 HydrophobicContact SD-CD1 4.24Å; M651-L655 HydrophobicContact SD-CG 4.22Å; L652-L655 PolarHBondContact O-N 3.36Å; T653-L655 VanDerWaalsContact C-N 3.34Å; T653-L655 PolarHBondContact O-N 2.91Å; L655-A658 PolarHBondContact O-N 3.5Å; L655-R659 PolarHBondContact O-N 3.38Å; L655-R659 VanDerWaalsContact O-N 3.14Å; L655-I664 HydrophobicContact CD2-CD1 4.02Å; L655-I670 HydrophobicContact CD1-CG2 3.99Å; L655-I670 HydrophobicContact CD2-CD1 4.02Å; L655-I670 HydrophobicContact CD2-CG1 4.45Å; L655-I670 HydrophobicContact CD2-CG2 3.87Å; L655-L672 HydrophobicContact CD1-CD2 4.17Å; L655-L768 HydrophobicContact CD1-CD1 3.96Å; L655-A912 HydrophobicContact CD2-CB 3.9Å; L655-V938 HydrophobicContact CD2-CB 4.17Å; L655-V938 HydrophobicContact CD2-CG1 4.45Å; L655-V938 HydrophobicContact CD2-CG2 4Å
656S81.4Confident84.6Confident14 Ų1428.9 Ų28.910%0.09816%0.155CC..Hα-helixtrans-61.6-53173.2140.70000110.2G583 L652 T653 A658 R659 D660G583-S656 WeakPolarHBondContact CA-OG 3.33Å; L652-S656 PolarHBondContact O-N 2.71Å; T653-S656 PolarHBondContact O-N 2.92Å; S656-A658 VanDerWaalsContact C-N 3.25Å; S656-A658 PolarHBondContact O-N 3.09Å; S656-R659 WeakPolarHBondContact O-CA 3.28Å; S656-R659 WeakPolarHBondContact O-CB 3.33Å; S656-R659 PolarHBondContact O-N 3.13Å; S656-D660 VanDerWaalsContact O-CG 3.23Å; S656-D660 PolarHBondContact O-N 3.3Å; S656-D660 PolarHBondContact OG-OD2 2.91Å
657V87Confident83.7Confident4 Ų433.6 Ų33.62%0.02418%0.18CC..Hα-helixtrans-57.9-39.6178.2175.10000111.4K407 T412 L625 M645 T653 R659 D660 C661K407-V657 HydrophobicContact CD-CB 4.46Å; K407-V657 HydrophobicContact CD-CG1 4.48Å; K407-V657 HydrophobicContact CD-CG2 4.16Å; K407-V657 HydrophobicContact CG-CB 4.34Å; K407-V657 HydrophobicContact CG-CG1 3.91Å; K407-V657 HydrophobicContact CG-CG2 4.46Å; T412-V657 HydrophobicContact CG2-CG1 3.97Å; T412-V657 HydrophobicContact CG2-CG2 4.27Å; L625-V657 HydrophobicContact CD2-CG1 3.77Å; M645-V657 HydrophobicContact CE-CB 4.02Å; M645-V657 HydrophobicContact CE-CG1 3.67Å; T653-V657 VanDerWaalsContact O-CG2 3.32Å; T653-V657 WeakPolarHBondContact O-CG2 3.2Å; T653-V657 PolarHBondContact O-N 3.26Å; V657-R659 VanDerWaalsContact C-N 3.26Å; V657-R659 PolarHBondContact O-N 3.09Å; V657-D660 PolarHBondContact O-N 3.07Å; V657-C661 PolarHBondContact O-N 3.27Å; V657-C661 PolarHBondContact O-SG 3.4Å
658A90.2Very high83.3Confident0 Ų034.9 Ų34.90%019%0.187CC..Hα-helixtrans-63.4-30.2177.200000112.9M645 A654 L655 S656 M663 I664 V938M645-A658 HydrophobicContact CE-CB 3.89Å; A654-A658 VanDerWaalsContact O-CB 3.25Å; A654-A658 WeakPolarHBondContact O-CB 3.35Å; A654-A658 PolarHBondContact O-N 3.43Å; L655-A658 PolarHBondContact O-N 3.5Å; S656-A658 VanDerWaalsContact C-N 3.25Å; S656-A658 PolarHBondContact O-N 3.09Å; A658-M663 HydrophobicContact CB-CB 4.32Å; A658-M663 WeakPolarHBondContact O-CA 3.41Å; A658-M663 VanDerWaalsContact O-CB 3.23Å; A658-M663 WeakPolarHBondContact O-CB 3.36Å; A658-M663 PolarHBondContact O-N 3.16Å; A658-I664 HydrophobicContact CB-CD1 3.96Å; A658-I664 HydrophobicContact CB-CG1 4.19Å; A658-I664 PolarHBondContact O-N 3.5Å; A658-V938 HydrophobicContact CB-CG2 3.83Å
659R87.6Confident83.3Confident39 Ų3936.1 Ų36.115%0.14718%0.179CC..Hα-helixtrans-80.1-42.6172.5-74.8-165.8177.6143.5-19.4112.8L655 S656 V657 C661 E662 I664 I670 L768L655-R659 PolarHBondContact O-N 3.38Å; L655-R659 VanDerWaalsContact O-N 3.14Å; S656-R659 WeakPolarHBondContact O-CA 3.28Å; S656-R659 WeakPolarHBondContact O-CB 3.33Å; S656-R659 PolarHBondContact O-N 3.13Å; V657-R659 VanDerWaalsContact C-N 3.26Å; V657-R659 PolarHBondContact O-N 3.09Å; R659-C661 PolarHBondContact O-N 3.2Å; R659-E662 WeakPolarHBondContact O-CA 3.37Å; R659-E662 PolarHBondContact O-N 3.39Å; R659-I664 HydrophobicContact CG-CB 4.15Å; R659-I664 HydrophobicContact CG-CG2 4.27Å; R659-I670 VanDerWaalsContact CZ-CD1 3.47Å; R659-L768 PolarHBondContact NH1-O 3.39Å; R659-L768 PolarHBondContact NH2-O 2.76Å
660D87.3Confident83.7Confident78 Ų7834.5 Ų34.542%0.41717%0.17SC..Hα-helixtrans-62.4-30.2-178.2-60.7-29.3000111.8L625 S656 V657L625-D660 VanDerWaalsContact CD1-C 3.49Å; L625-D660 HydrophobicContact CD1-CB 3.64Å; S656-D660 VanDerWaalsContact O-CG 3.23Å; S656-D660 PolarHBondContact O-N 3.3Å; S656-D660 PolarHBondContact OG-OD2 2.91Å; V657-D660 PolarHBondContact O-N 3.07Å
661C90.2Very high84.2Confident0 Ų032.7 Ų32.70%016%0.16CC..THydrogen-bonded Turntrans-939.5172.670.60000115L625 T629 I633 V657 R659 M663L625-C661 HydrophobicContact CD1-CB 3.99Å; L625-C661 HydrophobicContact CD2-CB 4.09Å; T629-C661 HydrophobicContact CG2-CB 3.78Å; I633-C661 WeakPolarHBondContact CB-O 3.45Å; I633-C661 HydrophobicContact CG1-CB 4.47Å; I633-C661 WeakPolarHBondContact CG2-O 3.23Å; V657-C661 PolarHBondContact O-N 3.27Å; V657-C661 PolarHBondContact O-SG 3.4Å; R659-C661 PolarHBondContact O-N 3.2Å; C661-M663 PolarHBondContact O-N 3.29Å
662E89.5Confident84.6Confident91 Ų9132.4 Ų32.443%0.42516%0.159SC..THydrogen-bonded Turntrans57.326.5-178.9-56.5-178.5-179.100114.6T630 R637 R659 I664T630-E662 HydrophobicContact CG2-CB 4.44Å; T630-E662 HydrophobicContact CG2-CG 3.98Å; R637-E662 VanDerWaalsContact CD-O 3.26Å; R637-E662 WeakPolarHBondContact CD-O 3.42Å; R637-E662 PolarHBondContact NH1-O 2.81Å; R659-E662 WeakPolarHBondContact O-CA 3.37Å; R659-E662 PolarHBondContact O-N 3.39Å; E662-I664 VanDerWaalsContact C-N 3.31Å
663M90.2Very high85.1Confident3 Ų331.4 Ų31.42%0.01515%0.154CC..SBendtrans-69.1-35.5169.2-172-179.2-58.200111F405 L411 I633 P643 M645 A658 C661 T937F405-M663 HydrophobicContact CD2-CE 4.48Å; L411-M663 HydrophobicContact CD1-CE 4.02Å; I633-M663 HydrophobicContact CD1-CE 4.09Å; I633-M663 HydrophobicContact CG2-CB 4.21Å; P643-M663 HydrophobicContact CB-CE 4.18Å; P643-M663 HydrophobicContact CB-CG 3.89Å; P643-M663 HydrophobicContact CB-SD 4.31Å; P643-M663 HydrophobicContact CG-CG 3.77Å; M645-M663 HydrophobicContact CB-CE 4.05Å; M645-M663 HydrophobicContact CB-SD 3.76Å; M645-M663 HydrophobicContact CE-CE 4.41Å; M645-M663 PolarHBondContact N-SD 3.3Å; A658-M663 HydrophobicContact CB-CB 4.32Å; A658-M663 WeakPolarHBondContact O-CA 3.41Å; A658-M663 VanDerWaalsContact O-CB 3.23Å; A658-M663 WeakPolarHBondContact O-CB 3.36Å; A658-M663 PolarHBondContact O-N 3.16Å; C661-M663 PolarHBondContact O-N 3.29Å; M663-T937 HydrophobicContact CG-CG2 3.89Å; M663-T937 HydrophobicContact SD-CG2 3.98Å
664I88.8Confident85.6Confident2 Ų231 Ų311%0.0115%0.152CC..SBendtrans-116.4127.6168.7-61.2175.8000106.7L655 A658 R659 E662 D668 I670 H910 T937 V938L655-I664 HydrophobicContact CD2-CD1 4.02Å; A658-I664 HydrophobicContact CB-CD1 3.96Å; A658-I664 HydrophobicContact CB-CG1 4.19Å; A658-I664 PolarHBondContact O-N 3.5Å; R659-I664 HydrophobicContact CG-CB 4.15Å; R659-I664 HydrophobicContact CG-CG2 4.27Å; E662-I664 VanDerWaalsContact C-N 3.31Å; I664-D668 HydrophobicContact CG2-CB 4.09Å; I664-I670 HydrophobicContact CD1-CG1 4.42Å; I664-I670 HydrophobicContact CG2-CG1 4.31Å; I664-H910 HydrophobicContact CD1-CB 4.19Å; I664-H910 HydrophobicContact CG1-CB 4.37Å; I664-T937 HydrophobicContact CD1-CG2 4.23Å; I664-T937 HydrophobicContact CG1-CG2 3.85Å; I664-V938 HydrophobicContact CD1-CG2 4.01Å
665D83.3Confident85.8Confident68 Ų6831.3 Ų31.336%0.36415%0.154SC..  trans-67.9152.4177.4-150.1-55.6000110.7R637 L667 D668R637-D665 IonicContact NH2-OD2 2.63Å; D665-L667 PolarHBondContact O-N 2.91Å; D665-L667 VanDerWaalsContact O-N 3.15Å; D665-D668 HydrophobicContact CB-CB 4.1Å; D665-D668 VanDerWaalsContact CB-CG 3.43Å; D665-D668 WeakPolarHBondContact CB-OD2 3.44Å; D665-D668 PolarHBondContact N-OD2 2.75Å; D665-D668 PolarHBondContact O-N 3.31Å
666E75.8Confident85.8Confident141 Ų14135 Ų3566%0.65917%0.171SC*.THydrogen-bonded Turntrans-59.7-31.4-177.4-66-173.8161.200112.2
667L75.5Confident85.9Confident101 Ų10137 Ų3753%0.52918%0.183SC..THydrogen-bonded Turntrans-90.9-8.3-178.8-60.6177.7000113.7D665D665-L667 PolarHBondContact O-N 2.91Å; D665-L667 VanDerWaalsContact O-N 3.15Å
668D80.5Confident85.7Confident27 Ų2738.2 Ų38.214%0.14419%0.191CC..SBendtrans-78.6142.5-176.5-72.1-16.4000111I664 D665 H910I664-D668 HydrophobicContact CG2-CB 4.09Å; D665-D668 HydrophobicContact CB-CB 4.1Å; D665-D668 VanDerWaalsContact CB-CG 3.43Å; D665-D668 WeakPolarHBondContact CB-OD2 3.44Å; D665-D668 PolarHBondContact N-OD2 2.75Å; D665-D668 PolarHBondContact O-N 3.31Å; D668-H910 IonicContact OD2-CD2 3.89Å; D668-H910 IonicContact OD2-NE2 2.68Å; D668-H910 PolarHBondContact OD2-NE2 2.9Å
669R81.2Confident85.1Confident67 Ų6743.3 Ų43.325%0.25322%0.224SC..EExtended strand (participates in β ladder)trans-82.2133.1-173.8-68.2-176-173.9167.14.4110.9Y764 D908 F909 H910R669-Y764 HydrophobicContact CB-CD2 4.47Å; R669-Y764 HydrophobicContact CB-CE2 3.78Å; R669-Y764 HydrophobicContact CG-CE2 3.77Å; R669-D908 PolarHBondContact N-O 3.01Å; R669-F909 HydrophobicContact CB-CB 4.08Å; R669-F909 CarbonylContact O-C 3.54Å; R669-F909 VanDerWaalsContact O-CA 3.23Å; R669-F909 WeakPolarHBondContact O-CA 3.47Å; R669-H910 PolarHBondContact O-N 3.34Å
670I85.7Confident84.1Confident2 Ų246.4 Ų46.41%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-101.1129.5174.2-59.6164.1000109.5L655 R659 I664 A765 L768 A912L655-I670 HydrophobicContact CD1-CG2 3.99Å; L655-I670 HydrophobicContact CD2-CD1 4.02Å; L655-I670 HydrophobicContact CD2-CG1 4.45Å; L655-I670 HydrophobicContact CD2-CG2 3.87Å; R659-I670 VanDerWaalsContact CZ-CD1 3.47Å; I664-I670 HydrophobicContact CD1-CG1 4.42Å; I664-I670 HydrophobicContact CG2-CG1 4.31Å; I670-A765 PolarHBondContact O-N 3.27Å; I670-L768 HydrophobicContact CD1-CD1 4.25Å; I670-A912 HydrophobicContact CG2-CB 4.28Å
671I86.8Confident82.7Confident1 Ų146.9 Ų46.91%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-119.4119.9175.2-58.5176.5000108.5F762 H763 F909 H910 L911 A912 P1267 I1269I671-F762 HydrophobicContact CG2-CB 3.82Å; I671-F762 HydrophobicContact CG2-CD1 4.06Å; I671-F762 HydrophobicContact CG2-CG 4.46Å; I671-H763 CarbonylContact C-O 3.52Å; I671-H763 WeakPolarHBondContact CA-O 3.35Å; I671-F909 HydrophobicContact CD1-CB 4.05Å; I671-F909 HydrophobicContact CD1-CD2 3.72Å; I671-F909 HydrophobicContact CD1-CE2 4.44Å; I671-F909 HydrophobicContact CD1-CG 3.97Å; I671-H910 PolarHBondContact N-O 3.41Å; I671-L911 HydrophobicContact CB-CD2 3.8Å; I671-L911 HydrophobicContact CD1-CD2 4.48Å; I671-L911 HydrophobicContact CG2-CD2 3.96Å; I671-L911 WeakPolarHBondContact O-CA 3.4Å; I671-A912 PolarHBondContact O-N 3.21Å; I671-P1267 HydrophobicContact CD1-CG 3.48Å; I671-P1267 VanDerWaalsContact CD1-CG 3.48Å; I671-I1269 HydrophobicContact CD1-CD1 4.02Å; I671-I1269 HydrophobicContact CD1-CG1 4.39Å
672L89.1Confident80.6Confident1 Ų152.4 Ų52.41%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-87.7129.3177.2-68.5166.3000109.5M651 L655 H763 A765 A912 L1278 L1282 F1283M651-L672 HydrophobicContact CE-CD2 4.42Å; M651-L672 HydrophobicContact CG-CD2 3.72Å; M651-L672 HydrophobicContact SD-CD2 4.13Å; L655-L672 HydrophobicContact CD1-CD2 4.17Å; L672-H763 HydrophobicContact CB-CB 4.43Å; L672-H763 PolarHBondContact N-O 2.94Å; L672-H763 PolarHBondContact O-N 2.99Å; L672-A765 HydrophobicContact CD1-CB 4.09Å; L672-A912 HydrophobicContact CD2-CB 3.9Å; L672-L1278 HydrophobicContact CD1-CD1 3.4Å; L672-L1278 VanDerWaalsContact CD1-CD1 3.4Å; L672-L1278 HydrophobicContact CD1-CD2 4.5Å; L672-L1282 HydrophobicContact CB-CD2 4.09Å; L672-L1282 HydrophobicContact CD1-CD2 4.06Å; L672-L1282 HydrophobicContact CD2-CD2 4.27Å; L672-L1282 HydrophobicContact CG-CD2 4.39Å; L672-F1283 HydrophobicContact CD1-CZ 4.48Å
673V89.5Confident78.3Confident1 Ų155.2 Ų55.21%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-99.3130.1179.8-170.80000109.8V760 F762 L911 A912 I913 T917 I921 L932V673-V760 HydrophobicContact CG1-CG1 4.21Å; V673-F762 HydrophobicContact CG1-CD1 4.46Å; V673-F762 HydrophobicContact CG1-CE1 4.12Å; V673-F762 HydrophobicContact CG1-CZ 4.44Å; V673-F762 HydrophobicContact CG2-CD1 3.89Å; V673-F762 HydrophobicContact CG2-CE1 3.84Å; V673-L911 HydrophobicContact CG2-CB 4.2Å; V673-L911 HydrophobicContact CG2-CD2 4.36Å; V673-A912 PolarHBondContact N-O 2.86Å; V673-I913 HydrophobicContact CB-CG1 4.07Å; V673-I913 HydrophobicContact CG2-CD1 4.35Å; V673-I913 HydrophobicContact CG2-CG1 3.92Å; V673-T917 HydrophobicContact CG1-CG2 4.2Å; V673-T917 WeakPolarHBondContact O-CG2 3.47Å; V673-T917 PolarHBondContact O-OG1 3.41Å; V673-I921 HydrophobicContact CG1-CD1 4.13Å; V673-L932 HydrophobicContact CG1-CD2 4.39Å; V673-L932 HydrophobicContact CG2-CD2 4.27Å
674S87.3Confident75.8Confident10 Ų1061.8 Ų61.87%0.0734%0.339CS..EExtended strand (participates in β ladder)trans-125147.5173.8-173.50000109.9V760 E761S674-V760 CarbonylContact O-C 3.42Å; S674-V760 WeakPolarHBondContact O-CA 3.48Å; S674-E761 PolarHBondContact N-O 3Å; S674-E761 PolarHBondContact O-N 3.25Å
675A88Confident73.2Confident7 Ų769.8 Ų69.86%0.05838%0.376CS..EExtended strand (participates in β ladder)trans-142.8142.8176.500000110.7L759 V760 T917 I920 I921 Y925A675-L759 WeakPolarHBondContact CA-O 3.36Å; A675-V760 HydrophobicContact CB-CG1 4.47Å; A675-V760 HydrophobicContact CB-CG2 4.13Å; A675-T917 HydrophobicContact CB-CG2 3.97Å; A675-I920 HydrophobicContact CB-CB 4.38Å; A675-I920 HydrophobicContact CB-CG2 3.94Å; A675-I920 VanDerWaalsContact O-CD1 3.31Å; A675-I920 WeakPolarHBondContact O-CD1 3.09Å; A675-I921 HydrophobicContact CB-CD1 4.19Å; A675-I921 HydrophobicContact CB-CG1 3.71Å; A675-Y925 HydrophobicContact CB-CE2 4.49Å
676K86Confident70.9Confident79 Ų7971.5 Ų71.534%0.34339%0.394SS..  trans-116.2144173.8-67.4170.6-175.71470110.2L759 E761 Y925K676-L759 PolarHBondContact N-O 3.4Å; K676-E761 IonicContact NZ-OE1 3.59Å; K676-E761 PolarHBondContact NZ-OE1 3.47Å; K676-Y925 VanDerWaalsContact O-CE2 3.29Å; K676-Y925 WeakPolarHBondContact O-CE2 3.39Å; K676-Y925 PolarHBondContact O-OH 3.15Å
677P84Confident68.7Low54 Ų5470.4 Ų70.435%0.35140%0.402SS..PPolyproline II helixtrans-63.4149.8172.427.8-33.4000110.4Y924P677-Y924 HydrophobicContact CB-CD2 4.23Å; P677-Y924 HydrophobicContact CB-CE2 3.96Å
678P82.2Confident66.6Low31 Ų3170.9 Ų70.920%0.20141%0.413CS..PPolyproline II helixtrans-64.1143.1178.125.8-32.5000111L680 Y756 L759 Y924P678-L680 PolarHBondContact O-N 3.2Å; P678-Y756 HydrophobicContact CB-CE1 4.37Å; P678-L759 HydrophobicContact CB-CD1 4.34Å; P678-Y924 HydrophobicContact CG-CD1 3.69Å; P678-Y924 HydrophobicContact CG-CE1 4.19Å; P678-Y924 HydrophobicContact CG-CG 4.31Å
679P77.9Confident64.1Low106 Ų10674.3 Ų74.369%0.68844%0.44SS*.PPolyproline II helixtrans-59.7135.9177.423.4-31.3000110.5
680L68.2Low61.7Low104 Ų10477.6 Ų77.655%0.54546%0.462SS..PPolyproline II helixtrans-59.6137.1174.1-76.5154.6000109.1P678 T1295P678-L680 PolarHBondContact O-N 3.2Å; L680-T1295 HydrophobicContact CD1-CG2 4.22Å
681P57.5Low59.1Low88 Ų8883.8 Ų83.857%0.57150%0.495SS*.PPolyproline II helixtrans-57.6134.2175.222.5-30.4000108.8H683P681-H683 PolarHBondContact O-N 2.97Å; P681-H683 VanDerWaalsContact O-N 3.09Å
682P45.1Very low56.2Low117 Ų11789.2 Ų89.276%0.7653%0.533SS*.PPolyproline II helixtrans-58.4122.2177.623.1-30.6000107.6V684P682-V684 PolarHBondContact O-N 3.15Å; P682-V684 VanDerWaalsContact O-N 3.08Å
683H41.8Very low53.4Low149 Ų14995.3 Ų95.369%0.6957%0.57SS**PPolyproline II helixtrans-50.9122.3167-100.8-91.5000106.4P681 Q685P681-H683 PolarHBondContact O-N 2.97Å; P681-H683 VanDerWaalsContact O-N 3.09Å; H683-Q685 PolarHBondContact O-N 3.45Å
684V38.3Very low50.4Low141 Ų141101.5 Ų101.586%0.85561%0.608SS**  trans-65.281.1168.2-178.30000105.7P682 S686P682-V684 PolarHBondContact O-N 3.15Å; P682-V684 VanDerWaalsContact O-N 3.08Å; V684-S686 PolarHBondContact O-N 3.33Å; V684-S686 VanDerWaalsContact O-N 3.13Å
685Q33.7Very low47.2Very low171 Ų171107.5 Ų107.580%0.79965%0.648SS**  trans-67108.7162.3-76.1-178.4-18.200104H683 S687H683-Q685 PolarHBondContact O-N 3.45Å; Q685-S687 PolarHBondContact O-N 3.19Å
686S34.4Very low44.3Very low104 Ų104113.1 Ų113.173%0.72769%0.687SS**  trans-43.5109.117048.60000107.8V684 S688V684-S686 PolarHBondContact O-N 3.33Å; V684-S686 VanDerWaalsContact O-N 3.13Å; S686-S688 VanDerWaalsContact C-N 3.28Å; S686-S688 PolarHBondContact O-N 3.34Å
687S30.4Very low41.3Very low118 Ų118113 Ų11383%0.82570%0.702SS**  trans-66.289.9178.752.80000108.3Q685 S689Q685-S687 PolarHBondContact O-N 3.19Å; S687-S689 PolarHBondContact O-N 2.87Å
688S30.9Very low38.4Very low110 Ų110120.6 Ų120.677%0.76973%0.729SS**  trans-71.2105.1153.954.20000106.1S686 N690S686-S688 VanDerWaalsContact C-N 3.28Å; S686-S688 PolarHBondContact O-N 3.34Å; S688-N690 PolarHBondContact O-N 3.35Å
689S29Very low35.7Very low100 Ų100122.4 Ų122.470%0.69975%0.753SS**  trans-48.6121.7159.749.20000108.4S687S687-S689 PolarHBondContact O-N 2.87Å
690N29.4Very low33.2Very low136 Ų136124.4 Ų124.473%0.72776%0.758SS**  trans-174.8126.1132.6-87.3-7.3000110.8S688S688-N690 PolarHBondContact O-N 3.35Å
691D31.3Very low31Very low131 Ų131127.3 Ų127.370%0.70177%0.774SS**  trans71.596.7142-54.4-20.9000120V693D691-V693 PolarHBondContact O-N 2.97Å
692S26.6Very low29.4Very low116 Ų116127.2 Ų127.281%0.81178%0.78SS**  trans-38.9112.8146.451.30000112.9
693V29.9Very low28.3Very low128 Ų128126.3 Ų126.378%0.77678%0.777SS**  trans-125104.9157-177.60000108.1D691D691-V693 PolarHBondContact O-N 2.97Å
694T27Very low27.6Very low132 Ų132126.5 Ų126.581%0.8178%0.783SS**  trans-58.2126.5174.136.40000111.7S696T694-S696 PolarHBondContact O-N 3Å
695C19.9Very low26.7Very low135 Ų135127.7 Ų127.791%0.91278%0.779SS**  trans-61.8118.7168.7-57.50000110.7
696S27.1Very low26.2Very low125 Ų125127.2 Ų127.287%0.87478%0.776SS**  trans-127.3146.1158.8-169.80000109.5T694T694-S696 PolarHBondContact O-N 3Å
697A23.5Very low25.8Very low78 Ų78129.8 Ų129.865%0.64578%0.777SS**  trans-85158.7-155.600000114.7
698K22.4Very low25.4Very low212 Ų212131.4 Ų131.492%0.92278%0.775SS**  trans67.3127.7148.4-71.9172.9176.8-176.40118.6
699G25.8Very low25.1Very low69 Ų69133.4 Ų133.471%0.71178%0.777SS**  trans149.490.3153.400000114.3
700D24.7Very low24.8Very low148 Ų148135 Ų13579%0.79178%0.783SS**  trans50.1119.5133.2-61.8-20.3000122.5
701L22.1Very low24.5Very low166 Ų166134.4 Ų134.487%0.86979%0.789SS**  67.7137.1129.9-82.6133.4000121.9
702A24.6Very low24.1Very low85 Ų85132.8 Ų132.870%0.70279%0.788SS**  trans90.8113150.100000118.9
703S22.4Very low24Very low99 Ų99135.3 Ų135.369%0.69279%0.792SS**  trans24.5119.1135.656.90000118.5
704D25.8Very low23.7Very low153 Ų153137.8 Ų137.882%0.81880%0.795SS**  -178.6160.791.8-101.3-30.1000112.1
705Q21.1Very low23.6Very low165 Ų165138.4 Ų138.477%0.77180%0.798SS**  trans-63.1164.6-173.9-74.4160.8-21.400114.7
706Q22.3Very low23.8Very low161 Ų161137.3 Ų137.375%0.75279%0.792SS**  trans107.2134.9134.1-100.6170.217.700120.4
707H26.3Very low23.6Very low158 Ų158138.2 Ų138.273%0.73179%0.786SS**  trans87.997.7158.3-75.9-75.1000120.4
708I22.1Very low23.6Very low153 Ų153140 Ų14079%0.78579%0.792SS**  trans-85.5118.6160.2-65.6166.6000106.9
709D24.7Very low23.6Very low152 Ų152135.5 Ų135.581%0.81379%0.786SS**  trans-116.5116.7164.3-86.2-27.4000109.6
710T21.8Very low23.5Very low134 Ų134140.1 Ų140.182%0.82279%0.793SS**  trans-81.8126.6175.433.50000110.3
711S24.2Very low23.4Very low122 Ų122140 Ų14085%0.85379%0.792SS**  trans-131.2109.7163.855.60000110.7
712S21.7Very low23.3Very low97 Ų97140.7 Ų140.768%0.67880%0.795SS**  trans-82.6128.7175490000110.5
713N24.9Very low23.2Very low169 Ų169142 Ų14290%0.90480%0.795SS**  trans-125.8115.6165.5-94.4-22000110.5
714H22.5Very low23.2Very low181 Ų181146.9 Ų146.984%0.83881%0.807SS**  trans-68.7139177-77.4-101000112.4
715V25.3Very low23.1Very low144 Ų144145 Ų14587%0.87381%0.806SS**  trans-138.9127.1157.1-1790000108.9
716S23.9Very low23.1Very low113 Ų113146.9 Ų146.979%0.7982%0.815SS**PPolyproline II helixtrans-86.1144-166.5410000115.3
717L22.6Very low23.2Very low143 Ų143142.3 Ų142.375%0.74981%0.811SS**PPolyproline II helixtrans-67.7149.3174.9-87.391.8000114.4
718P24.3Very low23Very low117 Ų117141.6 Ų141.676%0.7682%0.817SS**PPolyproline II helixtrans-101.5120.2159.732.6-21.4000112.1
719S22Very low22.9Very low116 Ų116146.1 Ų146.181%0.81182%0.824SS**PPolyproline II helixtrans-76.4130.4176.6-34.70000111.4
720I24.5Very low22.9Very low167 Ų167144 Ų14486%0.85682%0.822SS**  trans-119.4113.5170.6-65.9176.4000109.6
721L22.6Very low22.9Very low146 Ų146144.8 Ų144.876%0.76482%0.821SS**  trans-73.9134.4-176.8-146.889.5000111.2T723L721-T723 HydrophobicContact CD2-CG2 4.25Å; L721-T723 PolarHBondContact O-N 3.39Å; L721-T723 VanDerWaalsContact O-N 3.14Å
722L20.2Very low22.9Very low179 Ų179146.7 Ų146.794%0.93782%0.822SS**  trans-7096.7169.8-82.2153.7000110.5
723T22Very low23Very low113 Ų113153.5 Ų153.569%0.69383%0.833SS**  trans-105.9117.4166.247.20000111.3L721L721-T723 HydrophobicContact CD2-CG2 4.25Å; L721-T723 PolarHBondContact O-N 3.39Å; L721-T723 VanDerWaalsContact O-N 3.14Å
724Q21.6Very low23.3Very low202 Ų202151.3 Ų151.394%0.94483%0.827SS**  trans-56.7125.8164.4-65.7172.7-11.700110
725S24Very low23.3Very low114 Ų114154.3 Ų154.380%0.79783%0.831SS**  trans-137.7114.216371.70000111
726Q22Very low23.2Very low204 Ų204152.9 Ų152.995%0.95382%0.823SS**  trans-59.3136.4162.9-64.3179-700109.8
727G24.5Very low23.1Very low65 Ų65156.4 Ų156.467%0.6783%0.827SS**  trans-15578.5-177.100000113.1
728T22.7Very low23.2Very low142 Ų142154.6 Ų154.687%0.87183%0.826SS**  trans38.2117.8142.653.90000121.3S730T728-S730 PolarHBondContact O-N 3.26Å
729R19.3Very low23.2Very low248 Ų248154.5 Ų154.594%0.93683%0.828SS**  trans-35.3126.1153.6-82.4173.3164.2170-4.5113.1
730S24.3Very low23.4Very low109 Ų109158.6 Ų158.676%0.76283%0.831SS**  trans-129.1114.2151.4107.50000108.9T728T728-S730 PolarHBondContact O-N 3.26Å
731N21.3Very low23.5Very low149 Ų149157.5 Ų157.580%0.79783%0.827SS**  trans-68.6126.3171.2-81.5-31.2000109
732N25.6Very low23.7Very low163 Ų163155 Ų15587%0.87283%0.828SS**  trans-146.3116.1147.6-96.4-28.1000110.3
733R23Very low24Very low240 Ų240151.5 Ų151.591%0.90681%0.814SS**  trans-66153.9179.7-89.8178.1172.5175.8-3111.7
734P31.4Very low24.3Very low122 Ų122152.5 Ų152.579%0.79282%0.815SS**  trans-86.2136.4-165.234.5-32.2000112
735R23.3Very low24.7Very low245 Ų245147.1 Ų147.193%0.92580%0.799SS**  trans-103.4107165.3-88-175.5169.1173.8-2.7110
736T22Very low24.9Very low113 Ų113147.6 Ų147.669%0.69379%0.793SS**  trans-11.8134.6151.148.10000120
737H22.8Very low25.2Very low188 Ų188145.4 Ų145.487%0.8778%0.78SS**  trans63.797.3140.1-66.4-68.9000119.4
738S24.8Very low25.4Very low104 Ų104149 Ų14973%0.72778%0.78SS**  trans-143116.5137.661.70000109.6F740S738-F740 PolarHBondContact O-N 3.4Å
739S24.2Very low25.8Very low115 Ų115149 Ų14980%0.80477%0.769SS**  trans-52.2114.9173.848.40000112
740F25.6Very low26.4Very low202 Ų202142.2 Ų142.289%0.88675%0.752SS**  trans-112.7127.1164.6-112.9-92.2000109.2S738 A742S738-F740 PolarHBondContact O-N 3.4Å; F740-A742 PolarHBondContact O-N 3.4Å
741N27Very low26.8Very low145 Ų145143.3 Ų143.378%0.77574%0.743SS**  trans-55.1121.5-169.9-73.7-30000113.4T743N741-T743 PolarHBondContact O-N 3.22Å; N741-T743 VanDerWaalsContact O-N 3.14Å
742A26.3Very low27.5Very low93 Ų93142.6 Ų142.677%0.76973%0.733SS**  trans-79.183168.400000110F740F740-A742 PolarHBondContact O-N 3.4Å
743T27Very low28.2Very low105 Ų105139.5 Ų139.564%0.64472%0.717SS**  trans-125.3-0.316845.50000114.4N741N741-T743 PolarHBondContact O-N 3.22Å; N741-T743 VanDerWaalsContact O-N 3.14Å
744N28.7Very low29Very low134 Ų134135.2 Ų135.272%0.71771%0.707SS**SBendtrans-97.3-13.2-178.2-77.64.2000115.6
745S29.2Very low29.6Very low89 Ų89135.8 Ų135.862%0.62270%0.699SS**Hα-helixtrans-81.7-19.9-178.663.50000114.5
746L27.5Very low30.7Very low125 Ų125129 Ų12965%0.65467%0.674SS**Hα-helixtrans-85.2-14.9179-87.3158.9000113.6N750L746-N750 PolarHBondContact O-ND2 3.19Å
747F28.4Very low32Very low157 Ų157127.5 Ų127.569%0.68966%0.662SS**Hα-helixtrans-85.3-30.4-178.4-138.8-91.4000112.4F751F747-F751 PolarHBondContact O-N 3.35Å
748E29.4Very low33.8Very low142 Ų142122 Ų12266%0.66465%0.645SS**Hα-helixtrans-74.4-39.4-179.5-74.8-172.715600113.3N750 F751 F752E748-N750 PolarHBondContact O-N 3.02Å; E748-F751 PolarHBondContact O-N 3.44Å; E748-F752 WeakPolarHBondContact O-CD2 3.46Å; E748-F752 PolarHBondContact O-N 3.05Å
749E31.9Very low36.3Very low140 Ų140118.7 Ų118.765%0.65462%0.619SS**Hα-helixtrans-65.8-35.6179.2-94.1-170.715700113.4N753E749-N753 PolarHBondContact O-N 3.12Å
750N31.6Very low39.1Very low107 Ų107113.4 Ų113.457%0.57258%0.581SS**Hα-helixtrans-74.6-31.3-179.4-77.8-39000112.8L746 E748 Q754L746-N750 PolarHBondContact O-ND2 3.19Å; E748-N750 PolarHBondContact O-N 3.02Å; N750-Q754 PolarHBondContact O-N 3.32Å
751F31.5Very low41.9Very low132 Ų132105.3 Ų105.358%0.57955%0.547SS*.Hα-helixtrans-72.8-37.5179.2-144.6-87.8000111.6F747 E748F747-F751 PolarHBondContact O-N 3.35Å; E748-F751 PolarHBondContact O-N 3.44Å
752F37.4Very low44.6Very low134 Ų13498.6 Ų98.659%0.58851%0.51SS*.Hα-helixtrans-64-42.6176.1-93.3-81.5000112.2E748 Y756E748-F752 WeakPolarHBondContact O-CD2 3.46Å; E748-F752 PolarHBondContact O-N 3.05Å; F752-Y756 HydrophobicContact CD1-CE2 4.2Å; F752-Y756 WeakPolarHBondContact O-CD2 3.4Å
753N39Very low47.1Very low97 Ų9794.5 Ų94.552%0.51948%0.475SS..Hα-helixtrans-68.9-36.9-178.8-76.5-29.7000113.8E749 Q755 D757E749-N753 PolarHBondContact O-N 3.12Å; N753-Q755 PolarHBondContact O-N 2.79Å; N753-D757 PolarHBondContact O-N 2.9Å
754Q41.1Very low49.5Very low150 Ų15091.3 Ų91.370%0.70145%0.452SS*.Hα-helixtrans-68.2-31.5-178.1-85.7-172.8-10.800113.9N750N750-Q754 PolarHBondContact O-N 3.32Å
755Q42.9Very low51.6Low135 Ų13585 Ų8563%0.63142%0.418SS*.Hα-helixtrans-74.7-32.5-176.9-156.4164.2-2.400111.7N753 S758N753-Q755 PolarHBondContact O-N 2.79Å; Q755-S758 PolarHBondContact O-OG 2.99Å
756Y45.7Very low53.2Low102 Ų10284.9 Ų84.940%0.441%0.407SS..Hα-helixtrans-79.7-30.2176.6-70.9-72.1000114P678 F752 S758 L759 Y925P678-Y756 HydrophobicContact CB-CE1 4.37Å; F752-Y756 HydrophobicContact CD1-CE2 4.2Å; F752-Y756 WeakPolarHBondContact O-CD2 3.4Å; Y756-S758 PolarHBondContact O-N 2.83Å; Y756-L759 HydrophobicContact CD1-CD1 4.09Å; Y756-L759 WeakPolarHBondContact O-CB 3.43Å; Y756-L759 PolarHBondContact O-N 3.37Å; Y756-Y925 HydrophobicContact CD1-CE1 4.38Å
757D50Low54.5Low81 Ų8181.3 Ų81.343%0.43339%0.389SS..THydrogen-bonded Turntrans-59.3-18.4175.9-89.7-13.1000112.7N753 L759N753-D757 PolarHBondContact O-N 2.9Å; D757-L759 VanDerWaalsContact C-N 3.3Å; D757-L759 PolarHBondContact O-N 3.37Å
758S60.5Low55.9Low73 Ų7374.5 Ų74.551%0.5136%0.36SS..THydrogen-bonded Turntrans-72.8-16.8173.472.60000114.6Q755 Y756Q755-S758 PolarHBondContact O-OG 2.99Å; Y756-S758 PolarHBondContact O-N 2.83Å
759L78.5Confident56.9Low34 Ų3471.1 Ų71.118%0.17834%0.344CS..THydrogen-bonded Turntrans-95.6-16.7-175.7-63.6172.7000113.9A675 K676 P678 Y756 D757 Y925A675-L759 WeakPolarHBondContact CA-O 3.36Å; K676-L759 PolarHBondContact N-O 3.4Å; P678-L759 HydrophobicContact CB-CD1 4.34Å; Y756-L759 HydrophobicContact CD1-CD1 4.09Å; Y756-L759 WeakPolarHBondContact O-CB 3.43Å; Y756-L759 PolarHBondContact O-N 3.37Å; D757-L759 VanDerWaalsContact C-N 3.3Å; D757-L759 PolarHBondContact O-N 3.37Å; L759-Y925 WeakPolarHBondContact CB-OH 3.5Å; L759-Y925 WeakPolarHBondContact CD1-OH 3.16Å
760V82.1Confident57.2Low4 Ų470.8 Ų70.82%0.02434%0.34CS..EExtended strand (participates in β ladder)trans-109.2105.9172.3-176.20000108V673 S674 A675 F762 Y925 L928V673-V760 HydrophobicContact CG1-CG1 4.21Å; S674-V760 CarbonylContact O-C 3.42Å; S674-V760 WeakPolarHBondContact O-CA 3.48Å; A675-V760 HydrophobicContact CB-CG1 4.47Å; A675-V760 HydrophobicContact CB-CG2 4.13Å; V760-F762 HydrophobicContact CG1-CE2 3.96Å; V760-F762 HydrophobicContact CG1-CZ 4.24Å; V760-Y925 HydrophobicContact CG2-CD1 4.15Å; V760-Y925 HydrophobicContact CG2-CD2 3.8Å; V760-Y925 HydrophobicContact CG2-CE1 4.34Å; V760-Y925 HydrophobicContact CG2-CE2 3.97Å; V760-Y925 HydrophobicContact CG2-CG 3.91Å; V760-L928 HydrophobicContact CB-CD1 4.21Å; V760-L928 HydrophobicContact CG1-CD1 4.02Å; V760-L928 HydrophobicContact CG2-CD1 3.86Å
761E83.7Confident57.1Low33 Ų3371.4 Ų71.415%0.15435%0.35CS..EExtended strand (participates in β ladder)trans-99132.2-171.5-54.5-179.1-151.600110.5S674 K676 H763 I1270S674-E761 PolarHBondContact N-O 3Å; S674-E761 PolarHBondContact O-N 3.25Å; K676-E761 IonicContact NZ-OE1 3.59Å; K676-E761 PolarHBondContact NZ-OE1 3.47Å; E761-H763 WeakPolarHBondContact CB-NE2 3.12Å; E761-H763 IonicContact OE2-CE1 2.7Å; E761-H763 PolarHBondContact OE2-CE1 3.37Å; E761-H763 IonicContact OE2-NE2 3.12Å; E761-I1270 HydrophobicContact CB-CD1 3.9Å; E761-I1270 HydrophobicContact CG-CD1 3.81Å
762F84.5Confident56.8Low4 Ų470.9 Ų70.92%0.01836%0.358CS..EExtended strand (participates in β ladder)trans-108.8112173.6-64.8-96.5000108.9I671 V673 V760 L911 L932 P1267 P1268 I1270I671-F762 HydrophobicContact CG2-CB 3.82Å; I671-F762 HydrophobicContact CG2-CD1 4.06Å; I671-F762 HydrophobicContact CG2-CG 4.46Å; V673-F762 HydrophobicContact CG1-CD1 4.46Å; V673-F762 HydrophobicContact CG1-CE1 4.12Å; V673-F762 HydrophobicContact CG1-CZ 4.44Å; V673-F762 HydrophobicContact CG2-CD1 3.89Å; V673-F762 HydrophobicContact CG2-CE1 3.84Å; V760-F762 HydrophobicContact CG1-CE2 3.96Å; V760-F762 HydrophobicContact CG1-CZ 4.24Å; F762-L911 HydrophobicContact CD1-CD2 4.38Å; F762-L932 HydrophobicContact CE1-CD2 4.1Å; F762-L932 HydrophobicContact CZ-CD2 4.36Å; F762-P1267 HydrophobicContact CB-CB 4.18Å; F762-P1267 HydrophobicContact CD1-CB 3.53Å; F762-P1267 HydrophobicContact CD1-CG 4.49Å; F762-P1267 HydrophobicContact CD2-CB 4.32Å; F762-P1267 HydrophobicContact CE1-CB 3.92Å; F762-P1267 HydrophobicContact CG-CB 3.75Å; F762-P1267 HydrophobicContact CZ-CB 4.47Å; F762-P1268 HydrophobicContact CD2-CG 3.82Å; F762-P1268 HydrophobicContact CE2-CG 3.98Å; F762-I1270 PolarHBondContact O-N 2.81Å
763H79.2Confident56.3Low7 Ų770.6 Ų70.63%0.03237%0.367CS..EExtended strand (participates in β ladder)trans-104122.9-176.3-53.6-86.9000110.6I671 L672 E761 L1278I671-H763 CarbonylContact C-O 3.52Å; I671-H763 WeakPolarHBondContact CA-O 3.35Å; L672-H763 HydrophobicContact CB-CB 4.43Å; L672-H763 PolarHBondContact N-O 2.94Å; L672-H763 PolarHBondContact O-N 2.99Å; E761-H763 WeakPolarHBondContact CB-NE2 3.12Å; E761-H763 IonicContact OE2-CE1 2.7Å; E761-H763 PolarHBondContact OE2-CE1 3.37Å; E761-H763 IonicContact OE2-NE2 3.12Å; H763-L1278 HydrophobicContact CB-CD2 3.31Å; H763-L1278 VanDerWaalsContact CG-CD2 3.46Å
764Y77.2Confident55.6Low38 Ų3874 Ų7415%0.14938%0.38CS..EExtended strand (participates in β ladder)trans-79.9122.5171.1177.9-123.3000109.5R669 E766 H769 R1271 A1273R669-Y764 HydrophobicContact CB-CD2 4.47Å; R669-Y764 HydrophobicContact CB-CE2 3.78Å; R669-Y764 HydrophobicContact CG-CE2 3.77Å; Y764-E766 HydrophobicContact CD1-CG 3.52Å; Y764-E766 HydrophobicContact CE1-CB 4.47Å; Y764-E766 HydrophobicContact CE1-CG 3.41Å; Y764-E766 VanDerWaalsContact CE1-CG 3.41Å; Y764-E766 PolarHBondContact O-N 2.62Å; Y764-H769 AromaticContact CZ-CE1 3.93Å; Y764-H769 PolarHBondContact OH-CE1 2.91Å; Y764-H769 PolarHBondContact OH-NE2 3.42Å; Y764-R1271 PolarHBondContact N-O 2.79Å; Y764-A1273 PolarHBondContact O-N 3.21Å; Y764-A1273 VanDerWaalsContact O-N 3.12Å
765A71.7Confident54.8Low0 Ų073.5 Ų73.50%039%0.386CS..EExtended strand (participates in β ladder)trans-91.987.7-177.900000110.7I670 L672 L768I670-A765 PolarHBondContact O-N 3.27Å; L672-A765 HydrophobicContact CD1-CB 4.09Å; A765-L768 HydrophobicContact CB-CD1 3.74Å
766E62.8Low54Low87 Ų8772.2 Ų72.241%0.40739%0.388SS..G310 helixtrans-61.6-47.5-177.4-79.8-179.2174.200112.3Y764 L768 H769 S1272Y764-E766 HydrophobicContact CD1-CG 3.52Å; Y764-E766 HydrophobicContact CE1-CB 4.47Å; Y764-E766 HydrophobicContact CE1-CG 3.41Å; Y764-E766 VanDerWaalsContact CE1-CG 3.41Å; Y764-E766 PolarHBondContact O-N 2.62Å; E766-L768 PolarHBondContact O-N 3.31Å; E766-H769 PolarHBondContact O-N 2.95Å; E766-H769 PolarHBondContact O-ND1 3.28Å; E766-S1272 WeakPolarHBondContact OE1-CB 3.47Å; E766-S1272 PolarHBondContact OE1-OG 2.8Å
767D56.6Low53Low50 Ų5071.2 Ų71.227%0.26740%0.401SS..G310 helixtrans-67.1-10.8-171.8-57.4-12.3000115.3R581 H769 S1274 V1275R581-D767 VanDerWaalsContact NH2-CB 3.31Å; R581-D767 IonicContact NH2-OD2 2.85Å; R581-D767 PolarHBondContact NH2-OD2 3.14Å; D767-H769 PolarHBondContact O-N 2.8Å; D767-S1274 VanDerWaalsContact CG-CA 3.48Å; D767-S1274 WeakPolarHBondContact OD1-CA 3.33Å; D767-S1274 WeakPolarHBondContact OD1-CB 3.44Å; D767-S1274 WeakPolarHBondContact OD2-CA 3.34Å; D767-S1274 WeakPolarHBondContact OD2-CB 3.33Å; D767-V1275 HydrophobicContact CB-CG2 4.11Å; D767-V1275 PolarHBondContact OD2-N 3.09Å
768L56.7Low51.8Low15 Ų1573.5 Ų73.58%0.07942%0.418CS..G310 helixtrans-75.42176.3-85.2161.8000111.6L655 R659 I670 A765 E766 V1275L655-L768 HydrophobicContact CD1-CD1 3.96Å; R659-L768 PolarHBondContact NH1-O 3.39Å; R659-L768 PolarHBondContact NH2-O 2.76Å; I670-L768 HydrophobicContact CD1-CD1 4.25Å; A765-L768 HydrophobicContact CB-CD1 3.74Å; E766-L768 PolarHBondContact O-N 3.31Å; L768-V1275 HydrophobicContact CD1-CG2 4.38Å; L768-V1275 HydrophobicContact CG-CG2 4.23Å
769H49.7Very low50.1Low71 Ų7175.9 Ų75.933%0.32943%0.43SS..SBendtrans-80.8124.4174-67.565.2000110.4Y764 E766 D767Y764-H769 AromaticContact CZ-CE1 3.93Å; Y764-H769 PolarHBondContact OH-CE1 2.91Å; Y764-H769 PolarHBondContact OH-NE2 3.42Å; E766-H769 PolarHBondContact O-N 2.95Å; E766-H769 PolarHBondContact O-ND1 3.28Å; D767-H769 PolarHBondContact O-N 2.8Å
770K40.1Very low47.5Very low132 Ų13283.5 Ų83.557%0.57446%0.464SS*.PPolyproline II helixtrans-62128.8162.5-79.6-175.2173.71780107.2E582 V772E582-K770 IonicContact OE2-NZ 3.97Å; K770-V772 PolarHBondContact O-N 2.7Å; K770-V772 VanDerWaalsContact O-N 3.13Å
771P28.1Very low44.9Very low120 Ų12089.3 Ų89.378%0.77950%0.5SS*.PPolyproline II helixtrans-60.2122.2-175.721.9-30.8000109.3T773P771-T773 PolarHBondContact O-N 2.69Å
772V25.5Very low42.1Very low122 Ų12291.6 Ų91.674%0.73953%0.532SS*.  trans-56.3112168.7178.20000105.9K770 E774K770-V772 PolarHBondContact O-N 2.7Å; K770-V772 VanDerWaalsContact O-N 3.13Å; V772-E774 PolarHBondContact O-N 3Å
773T26Very low39.3Very low128 Ų12897.8 Ų97.879%0.78557%0.571SS**  trans-57.9103.9172.837.20000107.4P771 V775P771-T773 PolarHBondContact O-N 2.69Å; T773-V775 PolarHBondContact O-N 3.28Å
774E25.1Very low36.6Very low168 Ų168104.2 Ų104.279%0.78561%0.611SS**  trans-57.5107.7174.6-79.9-174.4151.900107.4V772 T776V772-E774 PolarHBondContact O-N 3Å; E774-T776 HydrophobicContact CB-CG2 4.43Å; E774-T776 PolarHBondContact O-N 3.15Å
775V25.1Very low34.1Very low139 Ų139113.4 Ų113.484%0.84265%0.645SS**  trans-64.289.6157.8179.20000104.9T773 A777T773-V775 PolarHBondContact O-N 3.28Å; V775-A777 PolarHBondContact O-N 3.19Å
776T25.5Very low31.8Very low108 Ų108122.7 Ų122.766%0.66369%0.685SS**  trans-61.590.6175.743.60000108.2E774 T778E774-T776 HydrophobicContact CB-CG2 4.43Å; E774-T776 PolarHBondContact O-N 3.15Å; T776-T778 VanDerWaalsContact C-N 3.34Å; T776-T778 PolarHBondContact O-N 3.02Å; T776-T778 VanDerWaalsContact O-N 3.08Å
777A24.5Very low30.1Very low82 Ų82127.6 Ų127.668%0.67871%0.706SS**  trans-67.3100158.700000106V775 T779V775-A777 PolarHBondContact O-N 3.19Å; A777-T779 VanDerWaalsContact C-N 3.32Å; A777-T779 PolarHBondContact O-N 2.93Å
778T24.1Very low28.5Very low128 Ų128134.1 Ų134.179%0.78573%0.734SS**  trans-62.492.4174.1480000109.2T776T776-T778 VanDerWaalsContact C-N 3.34Å; T776-T778 PolarHBondContact O-N 3.02Å; T776-T778 VanDerWaalsContact O-N 3.08Å
779T24.8Very low27.1Very low123 Ų123143 Ų14376%0.75577%0.772SS**  trans-87.5107.1158.836.70000108.3A777 T781A777-T779 VanDerWaalsContact C-N 3.32Å; A777-T779 PolarHBondContact O-N 2.93Å; T779-T781 PolarHBondContact O-N 3.18Å
780E25Very low25.9Very low194 Ų194145 Ų14591%0.90780%0.795SS**  trans-45.6106.5169.9-64.5175.6157.800110.9
781T26.5Very low25.1Very low127 Ų127150 Ų15078%0.77981%0.81SS**  trans-131.2103.1157.543.70000107T779 T783T779-T781 PolarHBondContact O-N 3.18Å; T781-T783 PolarHBondContact O-N 2.87Å
782G24.8Very low25.1Very low80 Ų80149.9 Ų149.983%0.82581%0.809SS**  trans-60.1120.6177.100000110.2
783T25.9Very low25.2Very low134 Ų134150.5 Ų150.582%0.82281%0.813SS**  trans-150.6103.514717.30000107.5T781 R785T781-T783 PolarHBondContact O-N 2.87Å; T783-R785 PolarHBondContact O-N 3.45Å; T783-R785 VanDerWaalsContact O-N 3.11Å
784T23.6Very low25.2Very low143 Ų143151.6 Ų151.688%0.87781%0.814SS**  trans-54.3102.7173.728.90000111.3
785R24.4Very low25.2Very low230 Ų230155 Ų15587%0.86882%0.819SS**  trans-126.3102.4153.1-86.7-171.6173.7179.2-1.2110T783 F787T783-R785 PolarHBondContact O-N 3.45Å; T783-R785 VanDerWaalsContact O-N 3.11Å; R785-F787 PolarHBondContact O-N 3.42Å; R785-F787 VanDerWaalsContact O-N 3.13Å
786K24.2Very low25.2Very low195 Ų195154.8 Ų154.885%0.84882%0.819SS**  trans-54.4105.7173.1-67.9174.7175.2178.50109.7
787F25.3Very low25.2Very low190 Ų190155.1 Ų155.183%0.83383%0.825SS**  trans-106.5107155.8-93.6-82.6000108.3R785 K789R785-F787 PolarHBondContact O-N 3.42Å; R785-F787 VanDerWaalsContact O-N 3.13Å; F787-K789 PolarHBondContact O-N 2.91Å; F787-K789 VanDerWaalsContact O-N 3.08Å
788H24.6Very low25.4Very low188 Ų188157.9 Ų157.987%0.8783%0.834SS**  trans-60.7102.4167.1-90.6-80.1000108.6
789K25.7Very low25.4Very low200 Ų200161 Ų16187%0.8784%0.837SS**  trans-108.1113.3158.4-87.6-173.7174.9-177.80108.6F787F787-K789 PolarHBondContact O-N 2.91Å; F787-K789 VanDerWaalsContact O-N 3.08Å
790S25.7Very low25.5Very low115 Ų115160.7 Ų160.780%0.80484%0.84SS**PPolyproline II helixtrans-52.8126.7171.841.30000111
791R23.3Very low25.5Very low236 Ų236158.7 Ų158.789%0.89184%0.835SS**PPolyproline II helixtrans-53.8124.2172.1-83.8172.3158.8169.6-6.7111.1
792P27.7Very low25.5Very low117 Ų117157 Ų15776%0.7683%0.834SS**PPolyproline II helixtrans-75.8134.3157.328.3-23.2000109N794P792-N794 PolarHBondContact O-N 3.41Å
793V27.9Very low25.5Very low135 Ų135160.5 Ų160.582%0.81883%0.834SS**PPolyproline II helixtrans-70.7116.8-177.2170.10000109.5R795V793-R795 PolarHBondContact O-N 3.19Å
794N24.7Very low25.6Very low152 Ų152158.1 Ų158.181%0.81383%0.828SS**  trans-58.6111.8169.7-78.8-20.5000110.4P792P792-N794 PolarHBondContact O-N 3.41Å
795R26.3Very low25.6Very low238 Ų238160 Ų16090%0.89883%0.827SS**  trans-93.7109.8154.6-89.2-174.4175.3177.7-0.1108.9V793V793-R795 PolarHBondContact O-N 3.19Å
796T24Very low25.6Very low136 Ų136155 Ų15583%0.83482%0.821SS**  trans-54.7119.5168.144.60000111.8
797S26.8Very low25.5Very low114 Ų114155 Ų15580%0.79782%0.822SS**  trans-128.8129.4148.459.30000109.2
798T27.5Very low25.5Very low141 Ų141151 Ų15187%0.86582%0.817SS**  trans-50.9126.5-171.743.30000114.5
799K24.3Very low25.6Very low194 Ų194148 Ų14884%0.84381%0.812SS**  trans-57.1131.4163.7-71175.5171-177.80110.9
800S26.7Very low25.4Very low116 Ų116150 Ų15081%0.81181%0.814SS**  trans-107.4117.1150.450.20000108A802S800-A802 PolarHBondContact O-N 3.05Å
801D25.8Very low25.4Very low151 Ų151151.3 Ų151.381%0.80781%0.812SS**  trans-61.8122.5-176.9-62.7-51.5000111.4
802A26.6Very low25.5Very low93 Ų93143.9 Ų143.977%0.76981%0.809SS**  trans-130.2112.1162.600000107.4S800 A804S800-A802 PolarHBondContact O-N 3.05Å; A802-A804 PolarHBondContact O-N 3.13Å
803D25.4Very low25.3Very low153 Ų153144.4 Ų144.482%0.81881%0.81SS**  trans-56.8103.8-173.7-70.9-51.5000112.6H805D803-H805 PolarHBondContact O-N 3.46Å
804A26.3Very low25.2Very low84 Ų84148 Ų14869%0.69482%0.815SS**  trans-75.4102.3168.300000109.6A802 T806A802-A804 PolarHBondContact O-N 3.13Å; A804-T806 PolarHBondContact O-N 2.97Å; A804-T806 PolarHBondContact O-OG1 2.59Å
805H24.2Very low25.2Very low183 Ų183146.7 Ų146.785%0.84782%0.818SS**  trans-59.186.9164.9-80.5-75.1000110.2D803 F807D803-H805 PolarHBondContact O-N 3.46Å; H805-F807 PolarHBondContact O-N 3.16Å
806T24Very low25.2Very low123 Ų123147 Ų14776%0.75582%0.819SS**  trans-79.3103.8177-46.50000108.1A804 S808A804-T806 PolarHBondContact O-N 2.97Å; A804-T806 PolarHBondContact O-OG1 2.59Å; T806-S808 PolarHBondContact O-N 3.15Å
807F23.5Very low25.3Very low196 Ų196150.7 Ų150.786%0.8682%0.823SS**  trans-60.4102.2172-117.3-100.8000109.1H805 V809H805-F807 PolarHBondContact O-N 3.16Å; F807-V809 PolarHBondContact O-N 3.44Å; F807-V809 VanDerWaalsContact O-N 3.11Å
808S24.5Very low25.2Very low106 Ų106153.5 Ų153.574%0.74183%0.828SS**  trans-72.2104.9176.874.90000110T806 R810T806-S808 PolarHBondContact O-N 3.15Å; S808-R810 PolarHBondContact O-N 2.93Å
809V25.9Very low25Very low125 Ų125155.9 Ų155.976%0.75883%0.832SS**  trans-69.6108.7169.2177.20000108.3F807 N811F807-V809 PolarHBondContact O-N 3.44Å; F807-V809 VanDerWaalsContact O-N 3.11Å; V809-N811 PolarHBondContact O-N 3.29Å; V809-N811 VanDerWaalsContact O-N 3.12Å
810R22.9Very low24.9Very low241 Ų241155.4 Ų155.491%0.90983%0.832SS**  trans-75.399.6179.9-159.4175.5-172.5170.62.8109.2S808 G812S808-R810 PolarHBondContact O-N 2.93Å; R810-G812 PolarHBondContact O-N 3.31Å; R810-G812 VanDerWaalsContact O-N 3.14Å
811N25.3Very low24.7Very low143 Ų143161.1 Ų161.177%0.76584%0.836SS**  trans-56.5108.3175.7-78.7-24.5000112.2V809 T813V809-N811 PolarHBondContact O-N 3.29Å; V809-N811 VanDerWaalsContact O-N 3.12Å; N811-T813 PolarHBondContact O-N 3.07Å
812G25.2Very low24.7Very low80 Ų80162.4 Ų162.483%0.82584%0.842SS**  trans-90.881.3172.200000111.8R810 K814R810-G812 PolarHBondContact O-N 3.31Å; R810-G812 VanDerWaalsContact O-N 3.14Å; G812-K814 PolarHBondContact O-N 3.24Å
813T24.4Very low24.5Very low129 Ų129164.1 Ų164.179%0.79185%0.847SS**  trans-75.795.8168.629.30000110.3N811N811-T813 PolarHBondContact O-N 3.07Å
814K24.5Very low24.5Very low210 Ų210165.6 Ų165.691%0.91385%0.849SS**  trans-170.968159.8-107.3171-166-174.80111.9G812G812-K814 PolarHBondContact O-N 3.24Å
815S25.9Very low24.5Very low125 Ų125168.9 Ų168.987%0.87486%0.855SS**  trans-16266157.1-149.20000111.7
816R25Very low24.5Very low245 Ų245167.2 Ų167.293%0.92586%0.857SS**  trans-137.579.7167.5-103.8-173.1174.5173.6-1107.1
817K26.2Very low24.9Very low212 Ų212167 Ų16792%0.92286%0.858SS**SBendtrans-170.119.1163.2-110.4171.3-168.5-171.10116.9
818L25.6Very low24.8Very low173 Ų173163.8 Ų163.891%0.90686%0.858SS**SBendtrans-135.660.2177.7-15482.5000112.4
819M22.8Very low24.7Very low191 Ų191165.6 Ų165.694%0.94187%0.865SS**  trans-157.850.2175-129.2152.5113.400112.2
820H21.9Very low24.8Very low184 Ų184164.4 Ų164.485%0.85286%0.862SS**SBendtrans-144.627.3174.6-145.7-68000115.8
821R22.9Very low24.8Very low236 Ų236165.2 Ų165.289%0.89187%0.865SS**  trans-147.7110165.8-72.2-171.9-172.4169.20.9108.2
822L26.3Very low24.7Very low178 Ų178162 Ų16293%0.93287%0.866SS**  trans172.373.5157.4-91.7161.4000107.3
823C21.7Very low24.5Very low129 Ų129164.4 Ų164.487%0.87287%0.869SS**  trans-150.898.8165.5-84.60000105.9
824E25.2Very low24.4Very low185 Ų185167.8 Ų167.886%0.86488%0.876SS**  trans-162.1107.3164.4-111.1167.6-156.900109.5
825D26.6Very low24.4Very low153 Ų153166.4 Ų166.482%0.81887%0.872SS**  trans22.2120.7144.3-54.5-30.2000121.8
826V25.2Very low24.3Very low147 Ų147169.8 Ų169.889%0.89187%0.874SS**  trans-155.4142.5148.5-175.80000111.6
827P32.2Very low24.3Very low119 Ų119163.5 Ų163.577%0.77387%0.867SS**  trans-104.2169.1-16039.4-31.9000117.3
828C20.9Very low24.1Very low128 Ų128158.8 Ų158.887%0.86586%0.861SS**  trans-69.5142.1-175-53.40000115.7
829V23.1Very low24.1Very low145 Ų145156.6 Ų156.688%0.87986%0.857SS**  trans-137.9134.7162.5178.40000110.9
830S26Very low24.1Very low99 Ų99153.4 Ų153.469%0.69285%0.854SS**  trans-91.1148.8-175.353.10000115
831R23.1Very low24.3Very low258 Ų258150 Ų15097%0.97485%0.851SS**  trans171.9144.2154.8-97.5163.5-174.4-170.82.8107.2
832G24.4Very low24.5Very low77 Ų77144.1 Ų144.179%0.79485%0.846SS**  cis163.4130.9500000105.9
833C21.5Very low25Very low130 Ų130141.4 Ų141.488%0.87884%0.839SS**  trans-70.5153.3-171.5-72.70000115.3
834E22.3Very low25.1Very low200 Ų200143.4 Ų143.494%0.93584%0.84SS**  trans-148.5136.5151.1-108.7170.3-163.600111.4
835Q23.3Very low25Very low181 Ų181141.5 Ų141.585%0.84684%0.841SS**  trans-95.3137-173.7-69.3172.1-26.300110.7
836H24.3Very low24.9Very low195 Ų195141.9 Ų141.990%0.90384%0.843SS**  trans-152.6147.9152.1-93-65.9000112.5
837S24.6Very low25Very low113 Ų113143 Ų14379%0.7984%0.843SS**PPolyproline II helixtrans-81.6151.4-15644.10000116.6
838S23.1Very low24.6Very low114 Ų114143.6 Ų143.680%0.79784%0.844SS**PPolyproline II helixtrans-79144.4179.943.90000115.2
839P24.5Very low24.8Very low126 Ų126142 Ų14282%0.81884%0.841SS**PPolyproline II helixtrans-98.4145.2162.933.9-24.7000112.8
840S23.6Very low24.9Very low125 Ų125142 Ų14287%0.87484%0.841SS**PPolyproline II helixtrans-72.8144.2-170.549.40000116.3
841S26Very low25.1Very low111 Ų111142.7 Ų142.778%0.77684%0.842SS**  trans-128.9110.6161.459.50000111.4
842S26.2Very low25.2Very low114 Ų114138.2 Ų138.280%0.79784%0.838SS**  trans38.8129.915359.20000122.3
843P36.5Very low25.1Very low121 Ų121141 Ų14179%0.78684%0.839SS**  trans-100.4151.5-17639.3-32.4000114.4
844L24.2Very low25.2Very low171 Ų171139.1 Ų139.190%0.89583%0.828SS**  trans-171.396.4151.4-104.1154.5000107.9
845T24.6Very low25.3Very low145 Ų145136.1 Ų136.189%0.8982%0.823SS**  trans-174.683161.416.90000108.5
846D24Very low25.3Very low160 Ų160134.8 Ų134.886%0.85682%0.821SS**  trans-118.4102.9167.9-91.2-30.4000107.7
847I27.2Very low25.3Very low171 Ų171128.7 Ų128.788%0.87781%0.811SS**  trans-148.1132.7143.7-59-170.5000107.8
848T24.6Very low25.2Very low132 Ų132132.2 Ų132.281%0.8182%0.815SS**  trans-83.3154.7-157.342.30000116.4
849A23.6Very low25.3Very low95 Ų95132.3 Ų132.379%0.78581%0.812SS**  trans-67.1159.4-177.800000117
850V25.3Very low25.1Very low145 Ų145138 Ų13888%0.87982%0.818SS**  trans-144.9141.5146.3-176.50000108.1
851P30.9Very low25.3Very low112 Ų112138.7 Ų138.773%0.72782%0.817SS**  trans-101.1160.6-146.337.6-33.6000117.1V853P851-V853 PolarHBondContact O-N 3.18Å
852N24Very low25.1Very low164 Ų164138.3 Ų138.388%0.87781%0.814SS**  trans-48.2122173.5-72-22.5000114.3S854N852-S854 PolarHBondContact O-N 3.35Å
853V22.3Very low24.9Very low136 Ų136138 Ų13882%0.82481%0.812SS**  trans-81.3104.5162.7176.50000108.1P851 V855P851-V853 PolarHBondContact O-N 3.18Å; V853-V855 PolarHBondContact O-N 3.48Å
854S24Very low24.2Very low91 Ų91136.8 Ų136.864%0.63681%0.806SS**  trans-72.9113.3170.456.70000110.1N852 N856N852-S854 PolarHBondContact O-N 3.35Å; S854-N856 PolarHBondContact O-N 2.93Å; S854-N856 VanDerWaalsContact O-N 3.12Å
855V25.1Very low24.3Very low137 Ų137136 Ų13683%0.8380%0.803SS**  trans-78.391.5170.5-179.80000108.1V853V853-V855 PolarHBondContact O-N 3.48Å
856N22.8Very low24.2Very low152 Ų152138 Ų13881%0.81380%0.802SS**  trans-89.5119.5166.6-85.9-22.2000108.9S854S854-N856 PolarHBondContact O-N 2.93Å; S854-N856 VanDerWaalsContact O-N 3.12Å
857G24.3Very low24.2Very low67 Ų67142.3 Ų142.369%0.69181%0.807SS**  trans-169.457.2177.200000112.9P859G857-P859 WeakPolarHBondContact O-CD 3.47Å
858H23Very low24Very low188 Ų188143.1 Ų143.187%0.8781%0.806SS**PPolyproline II helixtrans-80.6118.7164.6-86.7-68.4000109.6R860H858-R860 PolarHBondContact O-N 3Å
859P25Very low23.7Very low115 Ų115144.6 Ų144.675%0.74780%0.804SS**PPolyproline II helixtrans-76.2118.5164.929.3-26.2000108.4G857 T861G857-P859 WeakPolarHBondContact O-CD 3.47Å; P859-T861 PolarHBondContact O-N 3.47Å
860R21Very low23.8Very low246 Ų246149.2 Ų149.293%0.92881%0.809SS**PPolyproline II helixtrans-66.5118.8167.2-69.2172.9171.8170-3.4108.4H858H858-R860 PolarHBondContact O-N 3Å
861T25.9Very low23.5Very low140 Ų140148.5 Ų148.586%0.85980%0.8SS**  trans-124.2130.4154.449.20000109.1P859P859-T861 PolarHBondContact O-N 3.47Å
862S22.4Very low23.1Very low103 Ų103154.6 Ų154.672%0.7281%0.81SS**  trans-81.1154-163.146.10000113.5
863S22.3Very low23Very low107 Ų107155.2 Ų155.275%0.74881%0.808SS**  trans42.2136.2139.363.40000118.2
864S22.7Very low22.9Very low96 Ų96156.8 Ų156.867%0.67181%0.81SS**  cis-179.515019.139.40000103.9
865D26.5Very low22.9Very low153 Ų153156.1 Ų156.182%0.81882%0.817SS**  170.9103.5129.6-85.6-4.1000109.4
866Q20.5Very low22.7Very low189 Ų189159.1 Ų159.188%0.88382%0.819SS**  trans-66.8130.3162.8-65.8171.4-27.400108.4
867R24.7Very low22.7Very low250 Ų250157.8 Ų157.894%0.94382%0.822SS**  trans-140.9138.6150.5-78.3-162.4177.8176.8-0.1110.9
868E23.6Very low22.6Very low187 Ų187157.8 Ų157.887%0.87482%0.822SS**  trans-81.7155.5-152-70.1161.8137.400115.2
869H19Very low22.5Very low163 Ų163154.5 Ų154.576%0.75582%0.818SS**  trans-40.2135.3158.7-77.7-99.3000114.4
870H24.1Very low22.3Very low193 Ų193159.6 Ų159.689%0.89482%0.824SS**  trans-135.3107.2147.7-101.8-65.5000109.4
871D19.6Very low22.5Very low130 Ų130156.5 Ų156.570%0.69583%0.825SS**  trans-63.7142.6165.3-63.3-49.9000110.3
872Y22.7Very low22.3Very low240 Ų240158 Ų15894%0.94182%0.82SS**  trans-160.6132.3140-128.6-90.9000112.3
873E21.3Very low22.3Very low176 Ų176159 Ų15982%0.82282%0.817SS**  trans-82.5137-169.6-72.2176.4129.600114.6
874I20.6Very low22.5Very low170 Ų170161.9 Ų161.987%0.87282%0.824SS**  trans7.1107.1140.3-55167.1000116.7
875G23.6Very low22.5Very low76 Ų76164.9 Ų164.978%0.78483%0.832SS**  trans-130.9126.2165.600000111.4
876K21.2Very low22.5Very low200 Ų200166.6 Ų166.687%0.8783%0.834SS**  trans-73.4158.2-169.4-68.1166.1171169.70114.4
877S22.4Very low22.6Very low124 Ų124162.8 Ų162.887%0.86783%0.829SS**  trans98.1114136.3-150.40000118.6
878G22.2Very low22.7Very low67 Ų67157.1 Ų157.169%0.69182%0.822SS**  98.6119.2119.100000119.2
879C20.6Very low22.8Very low119 Ų119153.2 Ų153.280%0.80482%0.815SS**  trans83.4107.2148.1-76.80000121.4
880Y21.7Very low23.1Very low222 Ų222152.1 Ų152.187%0.87182%0.815SS**  27.6111.5129.2-63.7-84.3000119.2
881L25.6Very low23.1Very low182 Ų182151.8 Ų151.895%0.95381%0.813SS**  -159.7153.9129.3-144.565.8000111.7
882K21.6Very low23.5Very low172 Ų172156.6 Ų156.675%0.74882%0.822SS**  trans-74.4160.9-172.8-112.8177.3171.1-175.20114.1
883D22.8Very low23.7Very low124 Ų124153.1 Ų153.166%0.66382%0.818SS**  trans66.8104.6152-52.6-24.2000117.8
884D26.3Very low24Very low166 Ų166152 Ų15289%0.88882%0.818SS**  -178.9144.2102.5-94-30.4000113.8
885L21.6Very low24.3Very low159 Ų159155.3 Ų155.383%0.83282%0.82SS**  trans-75.5114.1-172.4-175.378.3000111.4
886H26.6Very low24.5Very low189 Ų189157.5 Ų157.588%0.87582%0.818SS**  trans-144.6117154.1-93.3-70.7000111.8
887S23.4Very low24.7Very low110 Ų110158.9 Ų158.977%0.76982%0.818SS**  trans-67.6115.8176.452.70000112.3
888V27.3Very low25.1Very low130 Ų130158.9 Ų158.979%0.78882%0.815SS**  trans-13798151-178.60000107.9N890V888-N890 PolarHBondContact O-N 3.34Å
889S24Very low25.3Very low105 Ų105161.3 Ų161.373%0.73482%0.816SS**  trans-75.195.7177.550.70000110.7
890N25.8Very low25.9Very low141 Ų141160.3 Ų160.375%0.75481%0.811SS**  trans-111.695.9159.3-88.7-25.9000108.2V888 R892V888-N890 PolarHBondContact O-N 3.34Å; N890-R892 VanDerWaalsContact C-N 3.28Å; N890-R892 PolarHBondContact O-N 3Å
891H25.2Very low26.4Very low186 Ų186153.6 Ų153.686%0.86179%0.789SS**  trans-62.282.9173.2-88.3-68000110.7L893H891-L893 PolarHBondContact O-N 3.4Å
892R26.6Very low26.5Very low231 Ų231154.7 Ų154.787%0.87278%0.78SS**  trans-79.6111.8157.8-78.5-174-177.1-1782107.5N890 N894N890-R892 VanDerWaalsContact C-N 3.28Å; N890-R892 PolarHBondContact O-N 3Å; R892-N894 PolarHBondContact O-N 3.1Å; R892-N894 VanDerWaalsContact O-N 3.08Å
893L28Very low27.2Very low166 Ų166148.9 Ų148.987%0.86976%0.756SS**  trans-44.5116171.1-86.689.9000109.8H891 R895H891-L893 PolarHBondContact O-N 3.4Å; L893-R895 PolarHBondContact O-N 2.87Å
894N26.7Very low27.6Very low154 Ų154149 Ų14982%0.82476%0.757SS**  trans-58.5109.8169-92.5-24000108.3R892 T896R892-N894 PolarHBondContact O-N 3.1Å; R892-N894 VanDerWaalsContact O-N 3.08Å; N894-T896 VanDerWaalsContact C-N 3.28Å; N894-T896 PolarHBondContact O-N 2.93Å
895R27.8Very low28Very low239 Ų239148.4 Ų148.490%0.90275%0.753SS**  trans-58.896.9160.9-77-178.9173.9-176.4-2.4106.8L893 R897L893-R895 PolarHBondContact O-N 2.87Å; R895-R897 PolarHBondContact O-N 3.17Å
896T28Very low29.1Very low122 Ų122148.9 Ų148.975%0.74874%0.744SS**  trans-55.6107.7166.642.90000106.8N894N894-T896 VanDerWaalsContact C-N 3.28Å; N894-T896 PolarHBondContact O-N 2.93Å
897R24.9Very low30.1Very low228 Ų228144.6 Ų144.686%0.8673%0.733SS**  trans-54.3123.9171.2-75.3-178.4173.2179.7-2.2107R895 V899R895-R897 PolarHBondContact O-N 3.17Å; R897-V899 PolarHBondContact O-N 2.71Å
898P30.2Very low32.3Very low124 Ų124143 Ų14381%0.80572%0.716SS**  trans-59.4117.4175.423.4-30.5000107.3S900P898-S900 VanDerWaalsContact C-N 3.31Å; P898-S900 PolarHBondContact O-N 2.74Å
899V27.4Very low34.9Very low119 Ų119138 Ų13872%0.72168%0.683SS**  trans-70.495.9172.81780000105.7R897 I901R897-V899 PolarHBondContact O-N 2.71Å; V899-I901 HydrophobicContact CG1-CG1 4.21Å; V899-I901 PolarHBondContact O-N 2.82Å
900S31.6Very low38Very low98 Ų98134.3 Ų134.369%0.68566%0.655SS**  trans-72.494.9172.965.60000108P898 R902P898-S900 VanDerWaalsContact C-N 3.31Å; P898-S900 PolarHBondContact O-N 2.74Å; S900-R902 VanDerWaalsContact C-N 3.29Å; S900-R902 PolarHBondContact O-N 3.34Å
901I33Very low41.2Very low80 Ų80127.6 Ų127.641%0.4162%0.619SS.*  trans-66.995.4167.3-60.1173.3000106.1V899 M903V899-I901 HydrophobicContact CG1-CG1 4.21Å; V899-I901 PolarHBondContact O-N 2.82Å; I901-M903 PolarHBondContact O-N 2.78Å
902R28.6Very low44.4Very low205 Ų205118.9 Ų118.977%0.77458%0.579SS**  trans-63.7111171.7-89.7-173.2176.3-175.4-1107.7S900 L904S900-R902 VanDerWaalsContact C-N 3.29Å; S900-R902 PolarHBondContact O-N 3.34Å; R902-L904 VanDerWaalsContact C-N 3.28Å; R902-L904 HydrophobicContact CB-CD1 3.97Å; R902-L904 PolarHBondContact O-N 2.89Å
903M34.8Very low47.6Very low50 Ų50107.9 Ų107.925%0.24654%0.537CS..  trans-68.383.3175.7-64.9-172.9-110.600109.7I901 D905 I1269I901-M903 PolarHBondContact O-N 2.78Å; M903-D905 PolarHBondContact O-N 2.97Å; M903-I1269 HydrophobicContact CE-CD1 3.34Å; M903-I1269 HydrophobicContact CE-CG1 3.89Å; M903-I1269 HydrophobicContact CG-CD1 4.48Å; M903-I1269 HydrophobicContact SD-CD1 3.73Å
904L31Very low50.6Low128 Ų128100.5 Ų100.567%0.6750%0.5SS*.  trans-72.5119.4170.8-94.283.8000110R902 R906R902-L904 VanDerWaalsContact C-N 3.28Å; R902-L904 HydrophobicContact CB-CD1 3.97Å; R902-L904 PolarHBondContact O-N 2.89Å; L904-R906 PolarHBondContact O-N 3.5Å
905D35.2Very low53.6Low153 Ų15393.3 Ų93.382%0.81846%0.461SS*.SBendtrans66.527.3149.2-69.3-13.7000122.3M903M903-D905 PolarHBondContact O-N 2.97Å
906R44.8Very low56.4Low168 Ų16883.7 Ų83.763%0.63443%0.426SS*.  trans-136.4120157.3-71.4-165.6-179.61791112L904L904-R906 PolarHBondContact O-N 3.5Å
907P47.5Very low59.4Low99 Ų9978.1 Ų78.164%0.64339%0.392SS*.  trans-80.7-18-165.5-11.827.8000116.7
908D69.7Low62.7Low77 Ų7767.3 Ų67.341%0.41235%0.351SS..  trans-102.1108-165.4-66.4-39.1000112R669R669-D908 PolarHBondContact N-O 3.01Å
909F83.2Confident65.6Low25 Ų2563 Ų6311%0.1133%0.326CS..EExtended strand (participates in β ladder)trans-118.9150.5168.365.8-90.5000109.2R669 I671 L911 K935 I1259 W1266 P1267R669-F909 HydrophobicContact CB-CB 4.08Å; R669-F909 CarbonylContact O-C 3.54Å; R669-F909 VanDerWaalsContact O-CA 3.23Å; R669-F909 WeakPolarHBondContact O-CA 3.47Å; I671-F909 HydrophobicContact CD1-CB 4.05Å; I671-F909 HydrophobicContact CD1-CD2 3.72Å; I671-F909 HydrophobicContact CD1-CE2 4.44Å; I671-F909 HydrophobicContact CD1-CG 3.97Å; F909-L911 HydrophobicContact CD2-CD2 3.93Å; F909-L911 HydrophobicContact CD2-CG 4.44Å; F909-L911 HydrophobicContact CE2-CD2 3.85Å; F909-L911 HydrophobicContact CE2-CG 4.22Å; F909-K935 HydrophobicContact CE2-CB 4.35Å; F909-K935 HydrophobicContact CE2-CD 4.29Å; F909-K935 HydrophobicContact CE2-CG 4.29Å; F909-K935 HydrophobicContact CZ-CD 4.17Å; F909-K935 HydrophobicContact CZ-CG 4.33Å; F909-I1259 HydrophobicContact CZ-CG2 4.09Å; F909-W1266 HydrophobicContact CE2-CZ3 4.12Å; F909-W1266 HydrophobicContact CZ-CE3 4.2Å; F909-W1266 AromaticContact CZ-CZ3 3.83Å; F909-W1266 HydrophobicContact CZ-CZ3 3.83Å; F909-P1267 HydrophobicContact CD2-CG 4.43Å; F909-P1267 HydrophobicContact CE2-CG 3.98Å; F909-P1267 VanDerWaalsContact CZ-CD 3.47Å; F909-P1267 HydrophobicContact CZ-CG 4.22Å
910H88.8Confident68.6Low28 Ų2857.6 Ų57.613%0.1329%0.293CS..EExtended strand (participates in β ladder)trans-115.6133.9179.1-64.8-93.9000110I664 D668 R669 I671 T937I664-H910 HydrophobicContact CD1-CB 4.19Å; I664-H910 HydrophobicContact CG1-CB 4.37Å; D668-H910 IonicContact OD2-CD2 3.89Å; D668-H910 IonicContact OD2-NE2 2.68Å; D668-H910 PolarHBondContact OD2-NE2 2.9Å; R669-H910 PolarHBondContact O-N 3.34Å; I671-H910 PolarHBondContact N-O 3.41Å; H910-T937 PolarHBondContact ND1-OG1 2.68Å
911L92Very high71.5Confident0 Ų052.9 Ų52.90%026%0.26CS..EExtended strand (participates in β ladder)trans-90.4140.1172.3-50.9177.3000110.2I671 V673 F762 F909 L932 K935 G936 T937 V938 W1266I671-L911 HydrophobicContact CB-CD2 3.8Å; I671-L911 HydrophobicContact CD1-CD2 4.48Å; I671-L911 HydrophobicContact CG2-CD2 3.96Å; I671-L911 WeakPolarHBondContact O-CA 3.4Å; V673-L911 HydrophobicContact CG2-CB 4.2Å; V673-L911 HydrophobicContact CG2-CD2 4.36Å; F762-L911 HydrophobicContact CD1-CD2 4.38Å; F909-L911 HydrophobicContact CD2-CD2 3.93Å; F909-L911 HydrophobicContact CD2-CG 4.44Å; F909-L911 HydrophobicContact CE2-CD2 3.85Å; F909-L911 HydrophobicContact CE2-CG 4.22Å; L911-L932 HydrophobicContact CD1-CD2 3.77Å; L911-K935 HydrophobicContact CD1-CB 3.88Å; L911-K935 HydrophobicContact CG-CB 4.04Å; L911-K935 PolarHBondContact N-O 2.71Å; L911-G936 CarbonylContact O-C 3.58Å; L911-G936 WeakPolarHBondContact O-CA 3.46Å; L911-T937 PolarHBondContact O-N 3.09Å; L911-V938 PolarHBondContact O-N 3.22Å; L911-W1266 HydrophobicContact CD1-CH2 3.96Å
912A92.7Very high74.3Confident2 Ų254.3 Ų54.32%0.01726%0.261CS..EExtended strand (participates in β ladder)trans-126.3126.7175.100000110.1M651 L655 I670 I671 L672 V673 V938M651-A912 HydrophobicContact CE-CB 4.19Å; M651-A912 HydrophobicContact SD-CB 3.69Å; L655-A912 HydrophobicContact CD2-CB 3.9Å; I670-A912 HydrophobicContact CG2-CB 4.28Å; I671-A912 PolarHBondContact O-N 3.21Å; L672-A912 HydrophobicContact CD2-CB 3.9Å; V673-A912 PolarHBondContact N-O 2.86Å; A912-V938 VanDerWaalsContact CA-O 3.28Å; A912-V938 WeakPolarHBondContact CA-O 3.17Å; A912-V938 HydrophobicContact CB-CB 4.25Å
913I93.8Very high77.2Confident0 Ų049 Ų490%024%0.244CC..EExtended strand (participates in β ladder)trans-132.6130.9-164.7-49.7-179.1000110M651 V673 T917 W918 L932 V938 F939 A940M651-I913 WeakPolarHBondContact CE-O 3.29Å; V673-I913 HydrophobicContact CB-CG1 4.07Å; V673-I913 HydrophobicContact CG2-CD1 4.35Å; V673-I913 HydrophobicContact CG2-CG1 3.92Å; I913-T917 HydrophobicContact CG2-CG2 4.07Å; I913-W918 HydrophobicContact CG2-CB 4.41Å; I913-L932 HydrophobicContact CD1-CB 3.88Å; I913-L932 HydrophobicContact CD1-CD1 4.33Å; I913-L932 HydrophobicContact CD1-CD2 4.01Å; I913-L932 HydrophobicContact CD1-CG 4.28Å; I913-V938 PolarHBondContact N-O 2.86Å; I913-F939 HydrophobicContact CB-CD1 4.06Å; I913-F939 HydrophobicContact CB-CE1 4.29Å; I913-F939 HydrophobicContact CD1-CD1 4.46Å; I913-F939 HydrophobicContact CD1-CE1 3.82Å; I913-F939 HydrophobicContact CG1-CE1 4.36Å; I913-F939 WeakPolarHBondContact O-CA 3.23Å; I913-A940 PolarHBondContact O-N 3.13Å
914S91.4Very high79.8Confident12 Ų1248.7 Ų48.78%0.08424%0.241CC..EExtended strand (participates in β ladder)trans-85.4155.5175.972.80000112.1K916 T917 W918 A940S914-K916 VanDerWaalsContact C-N 3.25Å; S914-K916 PolarHBondContact O-N 3.36Å; S914-T917 PolarHBondContact O-N 3.03Å; S914-T917 PolarHBondContact OG-N 3.05Å; S914-T917 PolarHBondContact OG-OG1 3.01Å; S914-T917 VanDerWaalsContact OG-OG1 3.1Å; S914-W918 WeakPolarHBondContact O-CB 3.38Å; S914-W918 PolarHBondContact O-N 3.02Å; S914-A940 CarbonylContact C-O 3.57Å; S914-A940 VanDerWaalsContact CA-O 3.28Å; S914-A940 WeakPolarHBondContact CA-O 3.27Å
915G89.5Confident82.7Confident2 Ų242.7 Ų42.72%0.02121%0.209CC..Hα-helixtrans-56.7-35176.400000114W918 A919 A940 Q946G915-W918 PolarHBondContact O-N 2.99Å; G915-A919 PolarHBondContact O-N 2.88Å; G915-A940 PolarHBondContact N-O 3.09Å; G915-Q946 PolarHBondContact O-NE2 3.34Å
916K85.3Confident85.2Confident37 Ų3738.3 Ų38.316%0.16119%0.189CC..Hα-helixtrans-67-48.7175.4-178.9178.6172.7-176.70111.9S914 W918 A919 I920S914-K916 VanDerWaalsContact C-N 3.25Å; S914-K916 PolarHBondContact O-N 3.36Å; K916-W918 VanDerWaalsContact C-N 3.28Å; K916-W918 PolarHBondContact O-N 2.68Å; K916-A919 PolarHBondContact O-N 3.48Å; K916-I920 HydrophobicContact CG-CD1 4.37Å; K916-I920 PolarHBondContact O-N 2.86Å; K916-I920 VanDerWaalsContact O-N 3.17Å
917T91.9Very high87.3Confident6 Ų636.9 Ų36.94%0.03718%0.184CC..Hα-helixtrans-59.1-43.2175.5-62.90000110.6V673 A675 I913 S914 A919 I920 I921V673-T917 HydrophobicContact CG1-CG2 4.2Å; V673-T917 WeakPolarHBondContact O-CG2 3.47Å; V673-T917 PolarHBondContact O-OG1 3.41Å; A675-T917 HydrophobicContact CB-CG2 3.97Å; I913-T917 HydrophobicContact CG2-CG2 4.07Å; S914-T917 PolarHBondContact O-N 3.03Å; S914-T917 PolarHBondContact OG-N 3.05Å; S914-T917 PolarHBondContact OG-OG1 3.01Å; S914-T917 VanDerWaalsContact OG-OG1 3.1Å; T917-A919 VanDerWaalsContact C-N 3.35Å; T917-A919 PolarHBondContact O-N 3.06Å; T917-I920 PolarHBondContact O-N 3.03Å; T917-I921 HydrophobicContact CG2-CD1 3.56Å; T917-I921 HydrophobicContact CG2-CG1 4.22Å; T917-I921 WeakPolarHBondContact O-CB 3.25Å; T917-I921 VanDerWaalsContact O-CG1 3.27Å; T917-I921 WeakPolarHBondContact O-CG1 3.5Å; T917-I921 PolarHBondContact O-N 2.97Å
918W94.2Very high89.4Confident0 Ų032.8 Ų32.80%016%0.157CC..Hα-helixtrans-57.6-44.8176.4177.3-99.9000112.5I913 S914 G915 K916 I921 R922 I929 V933 F939 F942 L950I913-W918 HydrophobicContact CG2-CB 4.41Å; S914-W918 WeakPolarHBondContact O-CB 3.38Å; S914-W918 PolarHBondContact O-N 3.02Å; G915-W918 PolarHBondContact O-N 2.99Å; K916-W918 VanDerWaalsContact C-N 3.28Å; K916-W918 PolarHBondContact O-N 2.68Å; W918-I921 PolarHBondContact O-N 3.15Å; W918-R922 HydrophobicContact CD2-CG 4.25Å; W918-R922 HydrophobicContact CZ2-CG 4.08Å; W918-R922 VanDerWaalsContact O-CB 3.26Å; W918-R922 WeakPolarHBondContact O-CB 3.46Å; W918-R922 WeakPolarHBondContact O-CG 3.34Å; W918-R922 PolarHBondContact O-N 3.41Å; W918-I929 HydrophobicContact CH2-CG2 3.91Å; W918-I929 HydrophobicContact CZ3-CG2 4.4Å; W918-V933 HydrophobicContact CH2-CG1 3.83Å; W918-V933 HydrophobicContact CZ3-CG1 4Å; W918-F939 HydrophobicContact CE3-CE1 4.41Å; W918-F939 HydrophobicContact CZ3-CE1 4.32Å; W918-F942 HydrophobicContact CB-CE1 4.44Å; W918-F942 HydrophobicContact CB-CE2 3.91Å; W918-F942 HydrophobicContact CB-CZ 3.54Å; W918-F942 AromaticContact CD1-CZ 3.96Å; W918-F942 HydrophobicContact CD2-CE1 4.08Å; W918-F942 AromaticContact CD2-CZ 3.72Å; W918-F942 HydrophobicContact CD2-CZ 3.72Å; W918-F942 HydrophobicContact CE3-CZ 4.12Å; W918-F942 AromaticContact CG-CE1 3.94Å; W918-F942 HydrophobicContact CG-CE1 3.94Å; W918-F942 HydrophobicContact CG-CE2 4.28Å; W918-F942 AromaticContact CG-CZ 3.44Å; W918-F942 HydrophobicContact CG-CZ 3.44Å; W918-F942 VanDerWaalsContact CG-CZ 3.44Å; W918-L950 HydrophobicContact CH2-CD1 4.22Å; W918-L950 HydrophobicContact CZ3-CD1 4.48Å
919A91.1Very high90.4Very high33 Ų3329.8 Ų29.827%0.27314%0.14SC..Hα-helixtrans-61.1-46.4178.300000112.2G915 K916 T917 R922 E923G915-A919 PolarHBondContact O-N 2.88Å; K916-A919 PolarHBondContact O-N 3.48Å; T917-A919 VanDerWaalsContact C-N 3.35Å; T917-A919 PolarHBondContact O-N 3.06Å; A919-R922 PolarHBondContact O-N 2.77Å; A919-E923 PolarHBondContact O-N 3.48Å; A919-E923 VanDerWaalsContact O-N 3.11Å
920I91.2Very high90.8Very high6 Ų630.6 Ų30.63%0.03115%0.148CC..Hα-helixtrans-62.5-45.7177.7-64.2167.8000110.6A675 K916 T917 R922 E923 Y924 Y925 I1292A675-I920 HydrophobicContact CB-CB 4.38Å; A675-I920 HydrophobicContact CB-CG2 3.94Å; A675-I920 VanDerWaalsContact O-CD1 3.31Å; A675-I920 WeakPolarHBondContact O-CD1 3.09Å; K916-I920 HydrophobicContact CG-CD1 4.37Å; K916-I920 PolarHBondContact O-N 2.86Å; K916-I920 VanDerWaalsContact O-N 3.17Å; T917-I920 PolarHBondContact O-N 3.03Å; I920-R922 VanDerWaalsContact C-N 3.31Å; I920-R922 PolarHBondContact O-N 2.91Å; I920-E923 PolarHBondContact O-N 2.85Å; I920-Y924 HydrophobicContact CG2-CD2 4.02Å; I920-Y924 WeakPolarHBondContact O-CD2 3.39Å; I920-Y924 PolarHBondContact O-N 3.07Å; I920-Y925 HydrophobicContact CG2-CD2 4.37Å; I920-Y925 HydrophobicContact CG2-CE2 4.02Å; I920-I1292 HydrophobicContact CG1-CD1 4.11Å
921I92.7Very high90.8Very high0 Ų031.2 Ų31.20%015%0.15CC..Hα-helixtrans-62.1-41.2178.1-69174.4000111.1V673 A675 T917 W918 E923 Y925 P926 L928 I929 L932V673-I921 HydrophobicContact CG1-CD1 4.13Å; A675-I921 HydrophobicContact CB-CD1 4.19Å; A675-I921 HydrophobicContact CB-CG1 3.71Å; T917-I921 HydrophobicContact CG2-CD1 3.56Å; T917-I921 HydrophobicContact CG2-CG1 4.22Å; T917-I921 WeakPolarHBondContact O-CB 3.25Å; T917-I921 VanDerWaalsContact O-CG1 3.27Å; T917-I921 WeakPolarHBondContact O-CG1 3.5Å; T917-I921 PolarHBondContact O-N 2.97Å; W918-I921 PolarHBondContact O-N 3.15Å; I921-E923 VanDerWaalsContact C-N 3.29Å; I921-E923 PolarHBondContact O-N 3.08Å; I921-Y925 HydrophobicContact CG1-CD2 4.48Å; I921-Y925 CarbonylContact O-C 3.54Å; I921-Y925 VanDerWaalsContact O-CA 3.23Å; I921-Y925 WeakPolarHBondContact O-CA 3.45Å; I921-Y925 PolarHBondContact O-N 3.3Å; I921-P926 VanDerWaalsContact O-N 3.13Å; I921-L928 HydrophobicContact CG2-CB 4.36Å; I921-I929 HydrophobicContact CG2-CG1 4.1Å; I921-L932 HydrophobicContact CD1-CD1 3.62Å; I921-L932 HydrophobicContact CG2-CD1 3.83Å
922R90.4Very high90.8Very high110 Ų11031.2 Ų31.242%0.41515%0.15SC..Hα-helixtrans-63.7-33.2178.6-89.7-96.123.3-167.3-18.3114W918 A919 I920 I929W918-R922 HydrophobicContact CD2-CG 4.25Å; W918-R922 HydrophobicContact CZ2-CG 4.08Å; W918-R922 VanDerWaalsContact O-CB 3.26Å; W918-R922 WeakPolarHBondContact O-CB 3.46Å; W918-R922 WeakPolarHBondContact O-CG 3.34Å; W918-R922 PolarHBondContact O-N 3.41Å; A919-R922 PolarHBondContact O-N 2.77Å; I920-R922 VanDerWaalsContact C-N 3.31Å; I920-R922 PolarHBondContact O-N 2.91Å; R922-I929 HydrophobicContact CG-CD1 3.86Å
923E89.9Confident90.8Very high92 Ų9231.1 Ų31.143%0.4315%0.15SC..Hα-helixtrans-87.3-45.7-178.2-174.1172.3-171.500112.1A919 I920 I921 I1292 S1296A919-E923 PolarHBondContact O-N 3.48Å; A919-E923 VanDerWaalsContact O-N 3.11Å; I920-E923 PolarHBondContact O-N 2.85Å; I921-E923 VanDerWaalsContact C-N 3.29Å; I921-E923 PolarHBondContact O-N 3.08Å; E923-I1292 WeakPolarHBondContact OE2-CG2 3.3Å; E923-S1296 PolarHBondContact OE1-OG 2.96Å
924Y90.3Very high90.6Very high44 Ų4431.4 Ų31.417%0.17315%0.152CC..Hα-helixtrans-107-25.6-170.3-60-77.6000114.2P677 P678 I920 P926 W927P677-Y924 HydrophobicContact CB-CD2 4.23Å; P677-Y924 HydrophobicContact CB-CE2 3.96Å; P678-Y924 HydrophobicContact CG-CD1 3.69Å; P678-Y924 HydrophobicContact CG-CE1 4.19Å; P678-Y924 HydrophobicContact CG-CG 4.31Å; I920-Y924 HydrophobicContact CG2-CD2 4.02Å; I920-Y924 WeakPolarHBondContact O-CD2 3.39Å; I920-Y924 PolarHBondContact O-N 3.07Å; Y924-P926 VanDerWaalsContact C-CD 3.41Å; Y924-W927 VanDerWaalsContact O-CZ3 3.25Å; Y924-W927 WeakPolarHBondContact O-CZ3 3.26Å
925Y91.2Very high90.6Very high3 Ų331.7 Ų31.71%0.01215%0.151CC..  trans-13045.7-173.1-46.5-75.3000114.1A675 K676 Y756 L759 V760 I920 I921 W927 L928A675-Y925 HydrophobicContact CB-CE2 4.49Å; K676-Y925 VanDerWaalsContact O-CE2 3.29Å; K676-Y925 WeakPolarHBondContact O-CE2 3.39Å; K676-Y925 PolarHBondContact O-OH 3.15Å; Y756-Y925 HydrophobicContact CD1-CE1 4.38Å; L759-Y925 WeakPolarHBondContact CB-OH 3.5Å; L759-Y925 WeakPolarHBondContact CD1-OH 3.16Å; V760-Y925 HydrophobicContact CG2-CD1 4.15Å; V760-Y925 HydrophobicContact CG2-CD2 3.8Å; V760-Y925 HydrophobicContact CG2-CE1 4.34Å; V760-Y925 HydrophobicContact CG2-CE2 3.97Å; V760-Y925 HydrophobicContact CG2-CG 3.91Å; I920-Y925 HydrophobicContact CG2-CD2 4.37Å; I920-Y925 HydrophobicContact CG2-CE2 4.02Å; I921-Y925 HydrophobicContact CG1-CD2 4.48Å; I921-Y925 CarbonylContact O-C 3.54Å; I921-Y925 VanDerWaalsContact O-CA 3.23Å; I921-Y925 WeakPolarHBondContact O-CA 3.45Å; I921-Y925 PolarHBondContact O-N 3.3Å; Y925-W927 AromaticContact CD1-CH2 3.47Å; Y925-W927 HydrophobicContact CD1-CH2 3.47Å; Y925-W927 VanDerWaalsContact CD1-CH2 3.47Å; Y925-W927 AromaticContact CD1-CZ2 3.7Å; Y925-W927 HydrophobicContact CD1-CZ2 3.7Å; Y925-W927 HydrophobicContact CD1-CZ3 4.31Å; Y925-W927 HydrophobicContact CE1-CH2 4.31Å; Y925-W927 HydrophobicContact CG-CH2 4.3Å; Y925-W927 HydrophobicContact CG-CZ2 4.49Å; Y925-W927 PolarHBondContact O-N 2.85Å; Y925-W927 VanDerWaalsContact O-N 3.09Å; Y925-L928 PolarHBondContact O-N 2.84Å; Y925-L928 VanDerWaalsContact O-N 3.07Å
926P88.5Confident90.7Very high61 Ų6131.6 Ų31.640%0.39615%0.15SC..G310 helixtrans-63.2-23.6-169.625.7-35.8000113.9I921 Y924 L928 I929I921-P926 VanDerWaalsContact O-N 3.13Å; Y924-P926 VanDerWaalsContact C-CD 3.41Å; P926-L928 PolarHBondContact O-N 3.16Å; P926-I929 HydrophobicContact CB-CD1 4.18Å; P926-I929 WeakPolarHBondContact O-CB 3.46Å; P926-I929 WeakPolarHBondContact O-CG1 3.31Å; P926-I929 PolarHBondContact O-N 3.21Å
927W88.2Confident91.2Very high138 Ų13830.1 Ų30.152%0.52314%0.144SC..G310 helixtrans-66.3-18.4177.267.590000113.7Y924 Y925 P930Y924-W927 VanDerWaalsContact O-CZ3 3.25Å; Y924-W927 WeakPolarHBondContact O-CZ3 3.26Å; Y925-W927 AromaticContact CD1-CH2 3.47Å; Y925-W927 HydrophobicContact CD1-CH2 3.47Å; Y925-W927 VanDerWaalsContact CD1-CH2 3.47Å; Y925-W927 AromaticContact CD1-CZ2 3.7Å; Y925-W927 HydrophobicContact CD1-CZ2 3.7Å; Y925-W927 HydrophobicContact CD1-CZ3 4.31Å; Y925-W927 HydrophobicContact CE1-CH2 4.31Å; Y925-W927 HydrophobicContact CG-CH2 4.3Å; Y925-W927 HydrophobicContact CG-CZ2 4.49Å; Y925-W927 PolarHBondContact O-N 2.85Å; Y925-W927 VanDerWaalsContact O-N 3.09Å; W927-P930 WeakPolarHBondContact O-CD 3.4Å
928L90.4Very high91.3Very high13 Ų1329.9 Ų29.97%0.06814%0.143CC..G310 helixtrans-79.7-23.8175.8-71.4171.7000112.7V760 I921 Y925 P926 P930 K931 L932V760-L928 HydrophobicContact CB-CD1 4.21Å; V760-L928 HydrophobicContact CG1-CD1 4.02Å; V760-L928 HydrophobicContact CG2-CD1 3.86Å; I921-L928 HydrophobicContact CG2-CB 4.36Å; Y925-L928 PolarHBondContact O-N 2.84Å; Y925-L928 VanDerWaalsContact O-N 3.07Å; P926-L928 PolarHBondContact O-N 3.16Å; L928-P930 VanDerWaalsContact C-CD 3.46Å; L928-K931 PolarHBondContact O-N 3.42Å; L928-K931 VanDerWaalsContact O-N 3.09Å; L928-L932 HydrophobicContact CB-CD1 4.05Å; L928-L932 HydrophobicContact CB-CG 4.43Å; L928-L932 WeakPolarHBondContact O-CG 3.42Å; L928-L932 PolarHBondContact O-N 3.47Å; L928-L932 VanDerWaalsContact O-N 3.09Å
929I91.8Very high91.4Very high13 Ų1329.9 Ų29.97%0.06714%0.143CC..Hα-helixtrans-50.1-48.2-175-65.4168.7000112.2W918 I921 R922 P926 K931 L932 V933W918-I929 HydrophobicContact CH2-CG2 3.91Å; W918-I929 HydrophobicContact CZ3-CG2 4.4Å; I921-I929 HydrophobicContact CG2-CG1 4.1Å; R922-I929 HydrophobicContact CG-CD1 3.86Å; P926-I929 HydrophobicContact CB-CD1 4.18Å; P926-I929 WeakPolarHBondContact O-CB 3.46Å; P926-I929 WeakPolarHBondContact O-CG1 3.31Å; P926-I929 PolarHBondContact O-N 3.21Å; I929-K931 VanDerWaalsContact C-N 3.31Å; I929-K931 PolarHBondContact O-N 3.27Å; I929-L932 PolarHBondContact O-N 3.26Å; I929-L932 VanDerWaalsContact O-N 3.14Å; I929-V933 HydrophobicContact CG2-CG1 3.95Å; I929-V933 WeakPolarHBondContact O-CG1 3.4Å; I929-V933 WeakPolarHBondContact O-CG2 3.22Å; I929-V933 PolarHBondContact O-N 3.48Å
930P90.4Very high91.4Very high43 Ų4328.3 Ų28.328%0.27913%0.13SC..Hα-helixtrans-57.2-40.9-178.6-25.535.8000113.4W927 L928 V933 V934 V957 I1255W927-P930 WeakPolarHBondContact O-CD 3.4Å; L928-P930 VanDerWaalsContact C-CD 3.46Å; P930-V933 WeakPolarHBondContact O-CG2 3.3Å; P930-V934 WeakPolarHBondContact O-CG2 3.19Å; P930-V934 PolarHBondContact O-N 2.77Å; P930-V957 HydrophobicContact CB-CG1 3.88Å; P930-I1255 HydrophobicContact CB-CD1 3.61Å; P930-I1255 HydrophobicContact CB-CG1 4.49Å
931K89.4Confident91.1Very high40 Ų4033 Ų3317%0.17415%0.147CC..Hα-helixtrans-70.4-40.8177.8-65.5-176.1178.2-175.90111.6L928 I929 V934 K935 I1255 E1258 I1259 W1266L928-K931 PolarHBondContact O-N 3.42Å; L928-K931 VanDerWaalsContact O-N 3.09Å; I929-K931 VanDerWaalsContact C-N 3.31Å; I929-K931 PolarHBondContact O-N 3.27Å; K931-V934 PolarHBondContact O-N 3.23Å; K931-K935 PolarHBondContact O-N 2.87Å; K931-I1255 HydrophobicContact CB-CG2 4.5Å; K931-I1255 HydrophobicContact CG-CG2 4.03Å; K931-E1258 WeakPolarHBondContact CE-OE1 3.5Å; K931-E1258 IonicContact NZ-OE1 3.22Å; K931-E1258 PolarHBondContact NZ-OE1 2.84Å; K931-I1259 HydrophobicContact CB-CD1 4.21Å; K931-I1259 HydrophobicContact CG-CD1 4.37Å; K931-I1259 HydrophobicContact CG-CG1 4.47Å; K931-W1266 HydrophobicContact CB-CH2 3.84Å; K931-W1266 HydrophobicContact CB-CZ2 3.59Å; K931-W1266 HydrophobicContact CD-CZ2 4.09Å; K931-W1266 HydrophobicContact CG-CZ2 4.41Å
932L92.5Very high90.9Very high0 Ų033.2 Ų33.20%015%0.148CC..Hα-helixtrans-66.5-42.8-179.4-65174.5000112.3V673 F762 L911 I913 I921 L928 I929 V934 G936V673-L932 HydrophobicContact CG1-CD2 4.39Å; V673-L932 HydrophobicContact CG2-CD2 4.27Å; F762-L932 HydrophobicContact CE1-CD2 4.1Å; F762-L932 HydrophobicContact CZ-CD2 4.36Å; L911-L932 HydrophobicContact CD1-CD2 3.77Å; I913-L932 HydrophobicContact CD1-CB 3.88Å; I913-L932 HydrophobicContact CD1-CD1 4.33Å; I913-L932 HydrophobicContact CD1-CD2 4.01Å; I913-L932 HydrophobicContact CD1-CG 4.28Å; I921-L932 HydrophobicContact CD1-CD1 3.62Å; I921-L932 HydrophobicContact CG2-CD1 3.83Å; L928-L932 HydrophobicContact CB-CD1 4.05Å; L928-L932 HydrophobicContact CB-CG 4.43Å; L928-L932 WeakPolarHBondContact O-CG 3.42Å; L928-L932 PolarHBondContact O-N 3.47Å; L928-L932 VanDerWaalsContact O-N 3.09Å; I929-L932 PolarHBondContact O-N 3.26Å; I929-L932 VanDerWaalsContact O-N 3.14Å; L932-V934 VanDerWaalsContact C-N 3.33Å; L932-V934 PolarHBondContact O-N 2.91Å; L932-G936 VanDerWaalsContact O-CA 3.25Å; L932-G936 WeakPolarHBondContact O-CA 3.18Å; L932-G936 PolarHBondContact O-N 2.92Å
933V92.9Very high90.6Very high0 Ų034.1 Ų34.10%015%0.152CC..Hα-helixtrans-71.2-28.9-179.9-60.20000112.8R642 W918 I929 P930 L950 L954 V957R642-V933 PolarHBondContact NH1-O 3.25Å; W918-V933 HydrophobicContact CH2-CG1 3.83Å; W918-V933 HydrophobicContact CZ3-CG1 4Å; I929-V933 HydrophobicContact CG2-CG1 3.95Å; I929-V933 WeakPolarHBondContact O-CG1 3.4Å; I929-V933 WeakPolarHBondContact O-CG2 3.22Å; I929-V933 PolarHBondContact O-N 3.48Å; P930-V933 WeakPolarHBondContact O-CG2 3.3Å; V933-L950 HydrophobicContact CG1-CD1 3.87Å; V933-L954 HydrophobicContact CB-CD2 3.9Å; V933-L954 HydrophobicContact CB-CG 4.31Å; V933-L954 HydrophobicContact CG2-CD2 4.4Å; V933-L954 WeakPolarHBondContact O-CD2 3.43Å; V933-V957 HydrophobicContact CG2-CG1 4.18Å; V933-V957 HydrophobicContact CG2-CG2 3.97Å
934V90.4Very high90Very high7 Ų732 Ų324%0.04215%0.145CC..Hα-helixtrans-71.8-37.6177.6170.60000112.3R642 P930 K931 L932 V957 Y959 I1255 R1256 I1259R642-V934 VanDerWaalsContact CZ-O 3.3Å; R642-V934 PolarHBondContact NH2-O 2.7Å; P930-V934 WeakPolarHBondContact O-CG2 3.19Å; P930-V934 PolarHBondContact O-N 2.77Å; K931-V934 PolarHBondContact O-N 3.23Å; L932-V934 VanDerWaalsContact C-N 3.33Å; L932-V934 PolarHBondContact O-N 2.91Å; V934-V957 HydrophobicContact CG2-CG2 4.31Å; V934-Y959 HydrophobicContact CG2-CE2 4.06Å; V934-I1255 HydrophobicContact CB-CG2 4.08Å; V934-I1255 HydrophobicContact CG1-CG2 4.28Å; V934-I1255 HydrophobicContact CG2-CB 4.19Å; V934-I1255 HydrophobicContact CG2-CD1 4.3Å; V934-I1255 HydrophobicContact CG2-CG2 3.87Å; V934-R1256 HydrophobicContact CG1-CB 4.23Å; V934-I1259 HydrophobicContact CG1-CD1 4.48Å
935K89.8Confident89.6Confident18 Ų1834 Ų348%0.07816%0.156CC..Hα-helixtrans-104.7-13.7-180-73.5-76.3-173.9166.30115F909 L911 K931 T937 I1259 D1260 W1266F909-K935 HydrophobicContact CE2-CB 4.35Å; F909-K935 HydrophobicContact CE2-CD 4.29Å; F909-K935 HydrophobicContact CE2-CG 4.29Å; F909-K935 HydrophobicContact CZ-CD 4.17Å; F909-K935 HydrophobicContact CZ-CG 4.33Å; L911-K935 HydrophobicContact CD1-CB 3.88Å; L911-K935 HydrophobicContact CG-CB 4.04Å; L911-K935 PolarHBondContact N-O 2.71Å; K931-K935 PolarHBondContact O-N 2.87Å; K935-T937 PolarHBondContact O-N 3.43Å; K935-I1259 HydrophobicContact CG-CD1 3.77Å; K935-I1259 HydrophobicContact CG-CG2 4.35Å; K935-D1260 IonicContact NZ-OD1 3.76Å; K935-W1266 HydrophobicContact CG-CZ3 4.34Å
936G92.8Very high89.5Confident0 Ų034.9 Ų34.90%016%0.161CC..EExtended strand (participates in β ladder)trans-77.1115-176.900000114.5R642 L911 L932 F939R642-G936 VanDerWaalsContact NH2-N 3.17Å; R642-G936 PolarHBondContact NH2-O 3.08Å; L911-G936 CarbonylContact O-C 3.58Å; L911-G936 WeakPolarHBondContact O-CA 3.46Å; L932-G936 VanDerWaalsContact O-CA 3.25Å; L932-G936 WeakPolarHBondContact O-CA 3.18Å; L932-G936 PolarHBondContact O-N 2.92Å; G936-F939 WeakPolarHBondContact O-CE2 3.22Å
937T94.6Very high89.6Confident6 Ų632.3 Ų32.34%0.03714%0.143CC..EExtended strand (participates in β ladder)trans-99.7-31-174.1-67.40000112.7M645 M663 I664 H910 L911 K935M645-T937 PolarHBondContact N-O 3.02Å; M663-T937 HydrophobicContact CG-CG2 3.89Å; M663-T937 HydrophobicContact SD-CG2 3.98Å; I664-T937 HydrophobicContact CD1-CG2 4.23Å; I664-T937 HydrophobicContact CG1-CG2 3.85Å; H910-T937 PolarHBondContact ND1-OG1 2.68Å; L911-T937 PolarHBondContact O-N 3.09Å; K935-T937 PolarHBondContact O-N 3.43Å
938V95.3Very high89.6Confident0 Ų026.5 Ų26.50%013%0.125CC..EExtended strand (participates in β ladder)trans-124121.1179.8179.10000110M645 M651 A654 L655 A658 I664 L911 A912 I913 A940M645-V938 HydrophobicContact CB-CG2 4.35Å; M651-V938 HydrophobicContact SD-CG1 4.18Å; A654-V938 HydrophobicContact CB-CG1 3.67Å; L655-V938 HydrophobicContact CD2-CB 4.17Å; L655-V938 HydrophobicContact CD2-CG1 4.45Å; L655-V938 HydrophobicContact CD2-CG2 4Å; A658-V938 HydrophobicContact CB-CG2 3.83Å; I664-V938 HydrophobicContact CD1-CG2 4.01Å; L911-V938 PolarHBondContact O-N 3.22Å; A912-V938 VanDerWaalsContact CA-O 3.28Å; A912-V938 WeakPolarHBondContact CA-O 3.17Å; A912-V938 HydrophobicContact CB-CB 4.25Å; I913-V938 PolarHBondContact N-O 2.86Å; V938-A940 HydrophobicContact CG1-CB 4.41Å
939F96.3Very high89.7Confident0 Ų029.1 Ų29.10%014%0.137CC..EExtended strand (participates in β ladder)trans-115.6102.2174.7-64.4-90000107.9V644 M645 V646 T647 I913 W918 G936 F942 L950V644-F939 HydrophobicContact CG1-CD2 3.71Å; V644-F939 HydrophobicContact CG1-CE2 3.7Å; M645-F939 PolarHBondContact O-N 3.42Å; V646-F939 CarbonylContact C-O 3.56Å; V646-F939 WeakPolarHBondContact CA-O 3.48Å; V646-F939 HydrophobicContact CG1-CB 4.21Å; V646-F939 HydrophobicContact CG2-CD2 4.47Å; T647-F939 PolarHBondContact N-O 3.39Å; I913-F939 HydrophobicContact CB-CD1 4.06Å; I913-F939 HydrophobicContact CB-CE1 4.29Å; I913-F939 HydrophobicContact CD1-CD1 4.46Å; I913-F939 HydrophobicContact CD1-CE1 3.82Å; I913-F939 HydrophobicContact CG1-CE1 4.36Å; I913-F939 WeakPolarHBondContact O-CA 3.23Å; W918-F939 HydrophobicContact CE3-CE1 4.41Å; W918-F939 HydrophobicContact CZ3-CE1 4.32Å; G936-F939 WeakPolarHBondContact O-CE2 3.22Å; F939-F942 HydrophobicContact CB-CD1 4.27Å; F939-F942 HydrophobicContact CB-CD2 3.85Å; F939-F942 HydrophobicContact CB-CE1 4.15Å; F939-F942 HydrophobicContact CB-CE2 3.69Å; F939-F942 HydrophobicContact CB-CG 4.16Å; F939-F942 HydrophobicContact CB-CZ 3.86Å; F939-F942 HydrophobicContact CD1-CE1 4.11Å; F939-F942 AromaticContact CD1-CE2 3.91Å; F939-F942 HydrophobicContact CD1-CE2 3.91Å; F939-F942 AromaticContact CD1-CZ 3.48Å; F939-F942 HydrophobicContact CD1-CZ 3.48Å; F939-F942 VanDerWaalsContact CD1-CZ 3.48Å; F939-F942 HydrophobicContact CE1-CZ 4.43Å; F939-F942 HydrophobicContact CG-CE1 4.44Å; F939-F942 HydrophobicContact CG-CE2 4.3Å; F939-F942 HydrophobicContact CG-CZ 4.08Å; F939-L950 HydrophobicContact CB-CD2 4.01Å; F939-L950 HydrophobicContact CD1-CD1 4.23Å; F939-L950 HydrophobicContact CD1-CD2 4.02Å; F939-L950 HydrophobicContact CD2-CD1 4.32Å; F939-L950 HydrophobicContact CD2-CD2 3.41Å; F939-L950 VanDerWaalsContact CD2-CD2 3.41Å; F939-L950 HydrophobicContact CE1-CD1 3.74Å; F939-L950 HydrophobicContact CE1-CD2 4.3Å; F939-L950 HydrophobicContact CE2-CD1 3.85Å; F939-L950 HydrophobicContact CE2-CD2 3.75Å; F939-L950 HydrophobicContact CE2-CG 4.43Å; F939-L950 HydrophobicContact CG-CD1 4.48Å; F939-L950 HydrophobicContact CG-CD2 3.55Å; F939-L950 HydrophobicContact CZ-CD1 3.54Å; F939-L950 HydrophobicContact CZ-CD2 4.19Å
940A89.5Confident89.8Confident0 Ų028.5 Ų28.50%013%0.133CC..EExtended strand (participates in β ladder)trans-106.9156.5-170.800000111.6T647 M651 A654 I913 S914 G915 V938 F942T647-A940 HydrophobicContact CG2-CB 4.39Å; T647-A940 CarbonylContact O-C 3.6Å; T647-A940 VanDerWaalsContact O-C 3.31Å; T647-A940 WeakPolarHBondContact O-CA 3.43Å; M651-A940 HydrophobicContact CB-CB 4.16Å; M651-A940 HydrophobicContact CE-CB 3.75Å; M651-A940 HydrophobicContact SD-CB 3.75Å; A654-A940 HydrophobicContact CB-CB 4.23Å; I913-A940 PolarHBondContact O-N 3.13Å; S914-A940 CarbonylContact C-O 3.57Å; S914-A940 VanDerWaalsContact CA-O 3.28Å; S914-A940 WeakPolarHBondContact CA-O 3.27Å; G915-A940 PolarHBondContact N-O 3.09Å; V938-A940 HydrophobicContact CG1-CB 4.41Å; A940-F942 WeakPolarHBondContact O-CD2 3.28Å; A940-F942 PolarHBondContact O-N 3.14Å
941R85.3Confident90Very high104 Ų10426.5 Ų26.539%0.39212%0.12SC..SBendtrans54.130.2-172.6-57.3-67-161.1161.83.6113.6T647 G648 D649T647-R941 PolarHBondContact O-N 2.91Å; G648-R941 VanDerWaalsContact O-CD 3.3Å; G648-R941 WeakPolarHBondContact O-CD 3.46Å; D649-R941 WeakPolarHBondContact O-CD 3.43Å; D649-R941 WeakPolarHBondContact O-CG 3.45Å; D649-R941 PolarHBondContact O-N 2.73Å
942F90.2Very high90.1Very high5 Ų529 Ų292%0.02213%0.133CC..  trans-78.9127178-94.2-128.9000110.7V646 T647 W918 F939 A940 Q946 K947 L950V646-F942 HydrophobicContact CG1-CB 4.23Å; V646-F942 HydrophobicContact CG1-CD1 4.12Å; V646-F942 HydrophobicContact CG1-CG 4.34Å; T647-F942 PolarHBondContact O-N 3.46Å; W918-F942 HydrophobicContact CB-CE1 4.44Å; W918-F942 HydrophobicContact CB-CE2 3.91Å; W918-F942 HydrophobicContact CB-CZ 3.54Å; W918-F942 AromaticContact CD1-CZ 3.96Å; W918-F942 HydrophobicContact CD2-CE1 4.08Å; W918-F942 AromaticContact CD2-CZ 3.72Å; W918-F942 HydrophobicContact CD2-CZ 3.72Å; W918-F942 HydrophobicContact CE3-CZ 4.12Å; W918-F942 AromaticContact CG-CE1 3.94Å; W918-F942 HydrophobicContact CG-CE1 3.94Å; W918-F942 HydrophobicContact CG-CE2 4.28Å; W918-F942 AromaticContact CG-CZ 3.44Å; W918-F942 HydrophobicContact CG-CZ 3.44Å; W918-F942 VanDerWaalsContact CG-CZ 3.44Å; F939-F942 HydrophobicContact CB-CD1 4.27Å; F939-F942 HydrophobicContact CB-CD2 3.85Å; F939-F942 HydrophobicContact CB-CE1 4.15Å; F939-F942 HydrophobicContact CB-CE2 3.69Å; F939-F942 HydrophobicContact CB-CG 4.16Å; F939-F942 HydrophobicContact CB-CZ 3.86Å; F939-F942 HydrophobicContact CD1-CE1 4.11Å; F939-F942 AromaticContact CD1-CE2 3.91Å; F939-F942 HydrophobicContact CD1-CE2 3.91Å; F939-F942 AromaticContact CD1-CZ 3.48Å; F939-F942 HydrophobicContact CD1-CZ 3.48Å; F939-F942 VanDerWaalsContact CD1-CZ 3.48Å; F939-F942 HydrophobicContact CE1-CZ 4.43Å; F939-F942 HydrophobicContact CG-CE1 4.44Å; F939-F942 HydrophobicContact CG-CE2 4.3Å; F939-F942 HydrophobicContact CG-CZ 4.08Å; A940-F942 WeakPolarHBondContact O-CD2 3.28Å; A940-F942 PolarHBondContact O-N 3.14Å; F942-Q946 HydrophobicContact CB-CB 4.34Å; F942-Q946 HydrophobicContact CD1-CB 3.57Å; F942-Q946 HydrophobicContact CE1-CB 4.04Å; F942-Q946 HydrophobicContact CG-CB 4.07Å; F942-K947 HydrophobicContact CB-CG 4.15Å; F942-L950 HydrophobicContact CE1-CB 4.14Å; F942-L950 HydrophobicContact CE1-CD2 4.31Å
943R83.2Confident90.1Very high130 Ų13029.4 Ų29.449%0.49114%0.136SC..  trans-72.5157.8170.4-63.3-176.7179.4178.7-0.9110.8E945 Q946 K947R943-E945 VanDerWaalsContact C-N 3.26Å; R943-E945 PolarHBondContact O-N 3.28Å; R943-E945 VanDerWaalsContact O-N 3.15Å; R943-Q946 HydrophobicContact CB-CG 4.25Å; R943-Q946 WeakPolarHBondContact O-CA 3.48Å; R943-Q946 WeakPolarHBondContact O-CB 3.37Å; R943-Q946 PolarHBondContact O-N 3Å; R943-K947 PolarHBondContact O-N 2.94Å
944P78.2Confident90.1Very high46 Ų4629.4 Ų29.430%0.29914%0.136SC..Hα-helixtrans-48.4-43.4179-31.738000114.3Q946 K947 A948 N969P944-Q946 VanDerWaalsContact C-N 3.33Å; P944-Q946 PolarHBondContact O-N 2.88Å; P944-K947 WeakPolarHBondContact O-CB 3.34Å; P944-K947 PolarHBondContact O-N 3.28Å; P944-A948 PolarHBondContact O-N 3.29Å; P944-N969 WeakPolarHBondContact CA-O 3.28Å; P944-N969 WeakPolarHBondContact CB-O 3.01Å; P944-N969 HydrophobicContact CG-CB 4Å
945E80.4Confident90.2Very high87 Ų8730.7 Ų30.741%0.40714%0.141SC..Hα-helixtrans-66.4-35.8177.7-62.683.2174.800112.4K260 R943 A948 Q949K260-E945 IonicContact NZ-OE1 3.74Å; K260-E945 PolarHBondContact NZ-OE1 3.21Å; R943-E945 VanDerWaalsContact C-N 3.26Å; R943-E945 PolarHBondContact O-N 3.28Å; R943-E945 VanDerWaalsContact O-N 3.15Å; E945-A948 PolarHBondContact O-N 2.9Å; E945-Q949 VanDerWaalsContact O-CG 3.28Å; E945-Q949 WeakPolarHBondContact O-CG 3.42Å; E945-Q949 PolarHBondContact O-N 3.3Å
946Q89.7Confident90.1Very high22 Ų2233.9 Ų33.910%0.10317%0.166CC..Hα-helixtrans-71.5-34.5177.4-60.7-179.9-47.600111.5G915 F942 R943 P944 A948 Q949 L950G915-Q946 PolarHBondContact O-NE2 3.34Å; F942-Q946 HydrophobicContact CB-CB 4.34Å; F942-Q946 HydrophobicContact CD1-CB 3.57Å; F942-Q946 HydrophobicContact CE1-CB 4.04Å; F942-Q946 HydrophobicContact CG-CB 4.07Å; R943-Q946 HydrophobicContact CB-CG 4.25Å; R943-Q946 WeakPolarHBondContact O-CA 3.48Å; R943-Q946 WeakPolarHBondContact O-CB 3.37Å; R943-Q946 PolarHBondContact O-N 3Å; P944-Q946 VanDerWaalsContact C-N 3.33Å; P944-Q946 PolarHBondContact O-N 2.88Å; Q946-A948 VanDerWaalsContact C-N 3.32Å; Q946-A948 PolarHBondContact O-N 3.21Å; Q946-Q949 PolarHBondContact O-N 2.88Å; Q946-L950 PolarHBondContact O-N 2.93Å
947K91.3Very high89.9Confident6 Ų634.1 Ų34.13%0.02617%0.167CC..Hα-helixtrans-56.4-49.7171-62.1-168.3167.4-176.80109.6D406 V646 F942 R943 P944 Q949 L950 I951 D970 A973D406-K947 IonicContact OD1-NZ 3.92Å; D406-K947 PolarHBondContact OD1-NZ 2.61Å; D406-K947 IonicContact OD2-NZ 2.8Å; D406-K947 PolarHBondContact OD2-NZ 2.9Å; V646-K947 HydrophobicContact CG1-CB 4.24Å; V646-K947 HydrophobicContact CG1-CD 4.39Å; V646-K947 HydrophobicContact CG1-CG 3.79Å; V646-K947 WeakPolarHBondContact O-CE 3.46Å; F942-K947 HydrophobicContact CB-CG 4.15Å; R943-K947 PolarHBondContact O-N 2.94Å; P944-K947 WeakPolarHBondContact O-CB 3.34Å; P944-K947 PolarHBondContact O-N 3.28Å; K947-Q949 PolarHBondContact O-N 3.37Å; K947-L950 PolarHBondContact O-N 3.47Å; K947-I951 WeakPolarHBondContact O-CG1 3.33Å; K947-I951 PolarHBondContact O-N 2.91Å; K947-D970 VanDerWaalsContact CD-OD1 3.23Å; K947-D970 WeakPolarHBondContact CD-OD1 3.47Å; K947-D970 WeakPolarHBondContact CE-OD1 3.33Å; K947-D970 IonicContact NZ-OD1 2.71Å; K947-D970 PolarHBondContact NZ-OD1 2.87Å; K947-A973 HydrophobicContact CB-CB 3.89Å
948A88.1Confident89.5Confident17 Ų1735 Ų3514%0.1418%0.178CC..Hα-helixtrans-60.5-45.2176.800000112.8P944 E945 Q946 L950 I951 E952 V976P944-A948 PolarHBondContact O-N 3.29Å; E945-A948 PolarHBondContact O-N 2.9Å; Q946-A948 VanDerWaalsContact C-N 3.32Å; Q946-A948 PolarHBondContact O-N 3.21Å; A948-L950 VanDerWaalsContact C-N 3.28Å; A948-L950 PolarHBondContact O-N 3.43Å; A948-I951 WeakPolarHBondContact O-CB 3.32Å; A948-I951 PolarHBondContact O-N 3.11Å; A948-I951 VanDerWaalsContact O-N 3.12Å; A948-E952 PolarHBondContact O-N 3.46Å; A948-V976 HydrophobicContact CB-CG2 4.4Å
949Q91.2Very high89.3Confident67 Ų6735.7 Ų35.731%0.31318%0.181SC..Hα-helixtrans-58.3-38.3177-71.7168.56.100113.1E945 Q946 K947 E952 S953E945-Q949 VanDerWaalsContact O-CG 3.28Å; E945-Q949 WeakPolarHBondContact O-CG 3.42Å; E945-Q949 PolarHBondContact O-N 3.3Å; Q946-Q949 PolarHBondContact O-N 2.88Å; K947-Q949 PolarHBondContact O-N 3.37Å; Q949-E952 PolarHBondContact O-N 3.29Å; Q949-S953 WeakPolarHBondContact O-CB 3.48Å; Q949-S953 PolarHBondContact O-N 2.97Å; Q949-S953 PolarHBondContact O-OG 3.43Å
950L95.2Very high89Confident0 Ų038.1 Ų38.10%019%0.191CC..Hα-helixtrans-64.7-43.7176.4174.961.5000111.2V646 W918 V933 F939 F942 Q946 K947 A948 E952 S953 L954V646-L950 HydrophobicContact CB-CD2 4.33Å; V646-L950 HydrophobicContact CG1-CD2 3.84Å; V646-L950 HydrophobicContact CG2-CD2 3.48Å; V646-L950 VanDerWaalsContact CG2-CD2 3.48Å; W918-L950 HydrophobicContact CH2-CD1 4.22Å; W918-L950 HydrophobicContact CZ3-CD1 4.48Å; V933-L950 HydrophobicContact CG1-CD1 3.87Å; F939-L950 HydrophobicContact CB-CD2 4.01Å; F939-L950 HydrophobicContact CD1-CD1 4.23Å; F939-L950 HydrophobicContact CD1-CD2 4.02Å; F939-L950 HydrophobicContact CD2-CD1 4.32Å; F939-L950 HydrophobicContact CD2-CD2 3.41Å; F939-L950 VanDerWaalsContact CD2-CD2 3.41Å; F939-L950 HydrophobicContact CE1-CD1 3.74Å; F939-L950 HydrophobicContact CE1-CD2 4.3Å; F939-L950 HydrophobicContact CE2-CD1 3.85Å; F939-L950 HydrophobicContact CE2-CD2 3.75Å; F939-L950 HydrophobicContact CE2-CG 4.43Å; F939-L950 HydrophobicContact CG-CD1 4.48Å; F939-L950 HydrophobicContact CG-CD2 3.55Å; F939-L950 HydrophobicContact CZ-CD1 3.54Å; F939-L950 HydrophobicContact CZ-CD2 4.19Å; F942-L950 HydrophobicContact CE1-CB 4.14Å; F942-L950 HydrophobicContact CE1-CD2 4.31Å; Q946-L950 PolarHBondContact O-N 2.93Å; K947-L950 PolarHBondContact O-N 3.47Å; A948-L950 VanDerWaalsContact C-N 3.28Å; A948-L950 PolarHBondContact O-N 3.43Å; L950-E952 VanDerWaalsContact C-N 3.34Å; L950-E952 PolarHBondContact O-N 2.89Å; L950-S953 PolarHBondContact O-N 3.36Å; L950-L954 HydrophobicContact CD1-CD1 4.37Å; L950-L954 HydrophobicContact CD1-CG 4.37Å; L950-L954 HydrophobicContact CG-CD1 4.24Å; L950-L954 WeakPolarHBondContact O-CG 3.35Å; L950-L954 PolarHBondContact O-N 3.01Å
951I93.9Very high89.3Confident1 Ų138.1 Ų38.11%0.00519%0.191CC..Hα-helixtrans-59-46.8175.9-57.2-55.9000110.2C404 K947 A948 S953 L954 Q955 V961 M963 A973 V976 A977C404-I951 HydrophobicContact CB-CD1 3.97Å; K947-I951 WeakPolarHBondContact O-CG1 3.33Å; K947-I951 PolarHBondContact O-N 2.91Å; A948-I951 WeakPolarHBondContact O-CB 3.32Å; A948-I951 PolarHBondContact O-N 3.11Å; A948-I951 VanDerWaalsContact O-N 3.12Å; I951-S953 VanDerWaalsContact C-N 3.32Å; I951-S953 PolarHBondContact O-N 3.25Å; I951-L954 PolarHBondContact O-N 2.72Å; I951-Q955 VanDerWaalsContact O-CG 3.25Å; I951-Q955 WeakPolarHBondContact O-CG 3.47Å; I951-Q955 PolarHBondContact O-N 3.24Å; I951-V961 HydrophobicContact CD1-CG1 3.77Å; I951-V961 HydrophobicContact CG2-CB 4.29Å; I951-V961 HydrophobicContact CG2-CG1 4.08Å; I951-M963 HydrophobicContact CD1-CB 4.25Å; I951-M963 HydrophobicContact CD1-SD 4.33Å; I951-A973 HydrophobicContact CG1-CB 3.93Å; I951-V976 HydrophobicContact CB-CG1 4.11Å; I951-V976 HydrophobicContact CG2-CB 4.34Å; I951-V976 HydrophobicContact CG2-CG1 3.81Å; I951-A977 HydrophobicContact CG2-CB 4.05Å
952E91Very high89.7Confident93 Ų9333.2 Ų33.244%0.43517%0.173SC..Hα-helixtrans-61.1-40.8176.6-63.2-174.2148.400112.2A948 Q949 L950 L954 Q955 S956 V976A948-E952 PolarHBondContact O-N 3.46Å; Q949-E952 PolarHBondContact O-N 3.29Å; L950-E952 VanDerWaalsContact C-N 3.34Å; L950-E952 PolarHBondContact O-N 2.89Å; E952-L954 PolarHBondContact O-N 3.22Å; E952-Q955 WeakPolarHBondContact O-CB 3.34Å; E952-Q955 PolarHBondContact O-N 3.2Å; E952-S956 WeakPolarHBondContact O-CB 3.43Å; E952-S956 PolarHBondContact O-N 3.38Å; E952-V976 HydrophobicContact CG-CG1 3.44Å; E952-V976 VanDerWaalsContact CG-CG1 3.44Å
953S92.1Very high90Very high8 Ų833 Ų336%0.05617%0.172CC..Hα-helixtrans-65.4-40.5179.4-57.70000111.4Q949 L950 I951 S956 V957Q949-S953 WeakPolarHBondContact O-CB 3.48Å; Q949-S953 PolarHBondContact O-N 2.97Å; Q949-S953 PolarHBondContact O-OG 3.43Å; L950-S953 PolarHBondContact O-N 3.36Å; I951-S953 VanDerWaalsContact C-N 3.32Å; I951-S953 PolarHBondContact O-N 3.25Å; S953-S956 PolarHBondContact O-N 3.17Å; S953-S956 PolarHBondContact O-OG 3.22Å; S953-V957 PolarHBondContact O-N 3.28Å
954L94.3Very high90.5Very high0 Ų026.9 Ų26.90%015%0.149CC..Hα-helixtrans-63.3-41.3172.2-74.8166.2000111.9V402 V933 L950 I951 E952 S956 V957 Y959 V961V402-L954 HydrophobicContact CG1-CD1 4.33Å; V933-L954 HydrophobicContact CB-CD2 3.9Å; V933-L954 HydrophobicContact CB-CG 4.31Å; V933-L954 HydrophobicContact CG2-CD2 4.4Å; V933-L954 WeakPolarHBondContact O-CD2 3.43Å; L950-L954 HydrophobicContact CD1-CD1 4.37Å; L950-L954 HydrophobicContact CD1-CG 4.37Å; L950-L954 HydrophobicContact CG-CD1 4.24Å; L950-L954 WeakPolarHBondContact O-CG 3.35Å; L950-L954 PolarHBondContact O-N 3.01Å; I951-L954 PolarHBondContact O-N 2.72Å; E952-L954 PolarHBondContact O-N 3.22Å; L954-S956 VanDerWaalsContact C-N 3.32Å; L954-S956 PolarHBondContact O-N 3.3Å; L954-V957 WeakPolarHBondContact O-CG2 3.25Å; L954-V957 PolarHBondContact O-N 2.97Å; L954-Y959 HydrophobicContact CB-CD2 4.46Å; L954-Y959 HydrophobicContact CD2-CD2 3.78Å; L954-Y959 HydrophobicContact CD2-CE2 4.15Å; L954-Y959 WeakPolarHBondContact O-CB 3.38Å; L954-Y959 PolarHBondContact O-N 2.8Å; L954-Y959 VanDerWaalsContact O-N 3.15Å; L954-V961 HydrophobicContact CB-CG2 3.53Å; L954-V961 HydrophobicContact CD1-CG1 4.24Å; L954-V961 HydrophobicContact CD1-CG2 4.38Å
955Q91.2Very high90.9Very high34 Ų3424.7 Ų24.716%0.15914%0.135CC..Hα-helixtrans-63.5-38.6175.5-67.5178.1-4.600111.8I951 E952 V957 G958 V961 V976I951-Q955 VanDerWaalsContact O-CG 3.25Å; I951-Q955 WeakPolarHBondContact O-CG 3.47Å; I951-Q955 PolarHBondContact O-N 3.24Å; E952-Q955 WeakPolarHBondContact O-CB 3.34Å; E952-Q955 PolarHBondContact O-N 3.2Å; Q955-V957 VanDerWaalsContact C-N 3.27Å; Q955-V957 PolarHBondContact O-N 3.47Å; Q955-G958 PolarHBondContact O-N 3.3Å; Q955-V961 HydrophobicContact CG-CG2 3.93Å; Q955-V976 PolarHBondContact NE2-O 3.42Å
956S87.4Confident90.8Very high85 Ų8522 Ų2259%0.59412%0.123SC*.Hα-helixtrans-63.2-29.7-178.5780000113.5E952 S953 L954 G958E952-S956 WeakPolarHBondContact O-CB 3.43Å; E952-S956 PolarHBondContact O-N 3.38Å; S953-S956 PolarHBondContact O-N 3.17Å; S953-S956 PolarHBondContact O-OG 3.22Å; L954-S956 VanDerWaalsContact C-N 3.32Å; L954-S956 PolarHBondContact O-N 3.3Å; S956-G958 VanDerWaalsContact C-N 3.3Å
957V88.9Confident89.6Confident6 Ų621.3 Ų21.34%0.03612%0.122CC..THydrogen-bonded Turntrans-89.68.5174.1-59.90000113.2P930 V933 V934 S953 L954 Q955 Y959 Y1252 I1255P930-V957 HydrophobicContact CB-CG1 3.88Å; V933-V957 HydrophobicContact CG2-CG1 4.18Å; V933-V957 HydrophobicContact CG2-CG2 3.97Å; V934-V957 HydrophobicContact CG2-CG2 4.31Å; S953-V957 PolarHBondContact O-N 3.28Å; L954-V957 WeakPolarHBondContact O-CG2 3.25Å; L954-V957 PolarHBondContact O-N 2.97Å; Q955-V957 VanDerWaalsContact C-N 3.27Å; Q955-V957 PolarHBondContact O-N 3.47Å; V957-Y959 HydrophobicContact CG2-CD2 3.58Å; V957-Y959 HydrophobicContact CG2-CE2 3.93Å; V957-Y1252 WeakPolarHBondContact O-CB 3.23Å; V957-Y1252 PolarHBondContact O-N 2.78Å; V957-I1255 HydrophobicContact CB-CD1 4.18Å; V957-I1255 HydrophobicContact CG1-CD1 3.85Å
958G86.9Confident88.2Confident25 Ų2522.3 Ų22.326%0.25813%0.131SC..THydrogen-bonded Turntrans89.916.7172.800000116Q955 S956Q955-G958 PolarHBondContact O-N 3.3Å; S956-G958 VanDerWaalsContact C-N 3.3Å
959Y90.7Very high87.2Confident14 Ų1425.7 Ų25.76%0.05515%0.147CC..  trans-77.4142.6170.1-72.9-66.4000112.3V402 V934 L954 V957 Y1252V402-Y959 HydrophobicContact CB-CD1 4.38Å; V402-Y959 HydrophobicContact CB-CG 4.49Å; V402-Y959 HydrophobicContact CG2-CD1 3.15Å; V402-Y959 HydrophobicContact CG2-CD2 4.08Å; V402-Y959 HydrophobicContact CG2-CE1 3.46Å; V402-Y959 VanDerWaalsContact CG2-CE1 3.46Å; V402-Y959 HydrophobicContact CG2-CE2 4.33Å; V402-Y959 HydrophobicContact CG2-CG 3.49Å; V402-Y959 VanDerWaalsContact CG2-CG 3.49Å; V934-Y959 HydrophobicContact CG2-CE2 4.06Å; L954-Y959 HydrophobicContact CB-CD2 4.46Å; L954-Y959 HydrophobicContact CD2-CD2 3.78Å; L954-Y959 HydrophobicContact CD2-CE2 4.15Å; L954-Y959 WeakPolarHBondContact O-CB 3.38Å; L954-Y959 PolarHBondContact O-N 2.8Å; L954-Y959 VanDerWaalsContact O-N 3.15Å; V957-Y959 HydrophobicContact CG2-CD2 3.58Å; V957-Y959 HydrophobicContact CG2-CE2 3.93Å; Y959-Y1252 AromaticContact CD1-CD1 3.81Å; Y959-Y1252 HydrophobicContact CD1-CD1 3.81Å; Y959-Y1252 HydrophobicContact CD1-CD2 4.34Å; Y959-Y1252 HydrophobicContact CD1-CE1 4Å; Y959-Y1252 HydrophobicContact CD1-CG 4.01Å; Y959-Y1252 HydrophobicContact CD2-CD1 4.48Å; Y959-Y1252 HydrophobicContact CD2-CG 4.39Å; Y959-Y1252 AromaticContact CE1-CD1 3.83Å; Y959-Y1252 HydrophobicContact CE1-CD1 3.83Å; Y959-Y1252 AromaticContact CE1-CD2 3.53Å; Y959-Y1252 HydrophobicContact CE1-CD2 3.53Å; Y959-Y1252 HydrophobicContact CE1-CE1 4.1Å; Y959-Y1252 AromaticContact CE1-CE2 3.88Å; Y959-Y1252 HydrophobicContact CE1-CE2 3.88Å; Y959-Y1252 AromaticContact CE1-CG 3.55Å; Y959-Y1252 HydrophobicContact CE1-CG 3.55Å; Y959-Y1252 HydrophobicContact CE2-CD1 4.48Å; Y959-Y1252 HydrophobicContact CE2-CD2 4.47Å; Y959-Y1252 AromaticContact CE2-CG 3.96Å; Y959-Y1252 HydrophobicContact CE2-CG 3.96Å; Y959-Y1252 HydrophobicContact CG-CD1 4.17Å; Y959-Y1252 HydrophobicContact CG-CG 4.42Å; Y959-Y1252 AromaticContact CZ-CD2 3.61Å; Y959-Y1252 AromaticContact CZ-CG 3.52Å
960F91.4Very high86.6Confident50 Ų5022.5 Ų22.522%0.21913%0.132CC..  trans-93.397.6165.4-74.1-89.6000108.1V396 V399 I400 N401 V402 M1082V396-F960 HydrophobicContact CG1-CD1 4.07Å; V396-F960 HydrophobicContact CG1-CE1 4.44Å; V399-F960 HydrophobicContact CG2-CB 4.24Å; V399-F960 HydrophobicContact CG2-CD1 3.6Å; V399-F960 HydrophobicContact CG2-CD2 4.07Å; V399-F960 HydrophobicContact CG2-CE1 3.9Å; V399-F960 HydrophobicContact CG2-CE2 4.34Å; V399-F960 HydrophobicContact CG2-CG 3.69Å; V399-F960 HydrophobicContact CG2-CZ 4.26Å; V399-F960 WeakPolarHBondContact O-CB 3.16Å; I400-F960 WeakPolarHBondContact CA-O 3.47Å; N401-F960 PolarHBondContact N-O 3.49Å; N401-F960 PolarHBondContact OD1-N 3.01Å; N401-F960 PolarHBondContact OD1-O 2.99Å; V402-F960 PolarHBondContact N-O 2.8Å; F960-M1082 HydrophobicContact CE1-CE 4.25Å; F960-M1082 HydrophobicContact CE1-SD 3.69Å; F960-M1082 HydrophobicContact CE2-SD 4.14Å; F960-M1082 HydrophobicContact CZ-CE 4.42Å; F960-M1082 HydrophobicContact CZ-SD 3.42Å; F960-M1082 WeakPolarHBondContact CZ-SD 3.18Å
961V94.4Very high85.5Confident0 Ų023.8 Ų23.80%014%0.141CC..EExtended strand (participates in β ladder)trans-90.3128-170-168.30000112.2I951 L954 Q955 H978 A979I951-V961 HydrophobicContact CD1-CG1 3.77Å; I951-V961 HydrophobicContact CG2-CB 4.29Å; I951-V961 HydrophobicContact CG2-CG1 4.08Å; L954-V961 HydrophobicContact CB-CG2 3.53Å; L954-V961 HydrophobicContact CD1-CG1 4.24Å; L954-V961 HydrophobicContact CD1-CG2 4.38Å; Q955-V961 HydrophobicContact CG-CG2 3.93Å; V961-H978 PolarHBondContact N-ND1 2.81Å; V961-H978 WeakPolarHBondContact O-CB 3.42Å; V961-H978 PolarHBondContact O-N 2.84Å; V961-A979 PolarHBondContact O-N 2.96Å
962S95.1Very high84.5Confident1 Ų125.3 Ų25.31%0.00716%0.157CC..EExtended strand (participates in β ladder)trans-95.8144.5159.8-151.90000109.6V402 C404 A979V402-S962 PolarHBondContact O-N 3.09Å; C404-S962 PolarHBondContact N-O 3.05Å; S962-A979 CarbonylContact C-O 3.53Å; S962-A979 VanDerWaalsContact CA-O 3.22Å; S962-A979 WeakPolarHBondContact CA-O 3.26Å; S962-A979 PolarHBondContact OG-O 3.44Å
963M94.7Very high84.3Confident1 Ų120.9 Ų20.91%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-123.8134.3166.9177.664.1-172.200108.4C404 D406 I951 D970 A973 L974 A977 A979 G980 I981C404-M963 HydrophobicContact CB-SD 3.57Å; C404-M963 VanDerWaalsContact CB-SD 3.57Å; C404-M963 CarbonylContact O-C 3.42Å; C404-M963 WeakPolarHBondContact O-CA 3.41Å; D406-M963 HydrophobicContact CB-CE 4.34Å; I951-M963 HydrophobicContact CD1-CB 4.25Å; I951-M963 HydrophobicContact CD1-SD 4.33Å; M963-D970 HydrophobicContact CE-CB 4.22Å; M963-D970 WeakPolarHBondContact CE-OD1 3.49Å; M963-A973 HydrophobicContact CE-CB 4.46Å; M963-A973 HydrophobicContact CG-CB 3.98Å; M963-A973 HydrophobicContact SD-CB 4.47Å; M963-L974 HydrophobicContact CB-CD2 4.12Å; M963-L974 HydrophobicContact CG-CD2 3.79Å; M963-L974 HydrophobicContact CG-CG 4.3Å; M963-L974 VanDerWaalsContact O-CD2 3.28Å; M963-L974 WeakPolarHBondContact O-CD2 3.44Å; M963-A977 HydrophobicContact CB-CB 3.74Å; M963-A979 PolarHBondContact N-O 3.27Å; M963-G980 CarbonylContact O-C 3.55Å; M963-G980 WeakPolarHBondContact O-CA 3.45Å; M963-I981 PolarHBondContact O-N 3.1Å
964C93.6Very high84Confident1 Ų120.5 Ų20.51%0.00713%0.134CC..EExtended strand (participates in β ladder)trans-121.7129.1174.1-161.80000108.9C404 F405 D406 I981 V1004C404-C964 PolarHBondContact O-N 3.17Å; F405-C964 HydrophobicContact CD1-CB 3.79Å; F405-C964 HydrophobicContact CE1-CB 4.03Å; D406-C964 PolarHBondContact N-O 3.28Å; D406-C964 VanDerWaalsContact N-O 3.09Å; C964-I981 WeakPolarHBondContact CA-O 3.47Å; C964-V1004 HydrophobicContact CB-CG2 4.18Å
965G88.3Confident83.2Confident0 Ų024.9 Ų24.90%015%0.153CC..EExtended strand (participates in β ladder)trans-157158-176.600000111.4T410 D970 I981 A982 L983T410-G965 WeakPolarHBondContact OG1-CA 3.4Å; G965-D970 WeakPolarHBondContact CA-OD2 3.49Å; G965-I981 PolarHBondContact N-O 3.22Å; G965-I981 VanDerWaalsContact N-O 3.15Å; G965-A982 CarbonylContact O-C 3.51Å; G965-A982 WeakPolarHBondContact O-CA 3.36Å; G965-L983 PolarHBondContact O-N 3.29Å
966D76.6Confident82.8Confident31 Ų3124.3 Ų24.317%0.16615%0.151CC..SBendtrans-109.9-25.2-177.260-55.7000113.1T408 G409 T410 L983 S984T408-D966 VanDerWaalsContact O-OD1 3.05Å; G409-D966 VanDerWaalsContact C-CG 3.49Å; G409-D966 VanDerWaalsContact CA-OD2 3.27Å; G409-D966 WeakPolarHBondContact CA-OD2 3.21Å; T410-D966 PolarHBondContact OG1-N 2.97Å; T410-D966 PolarHBondContact OG1-OD1 3.22Å; D966-L983 HydrophobicContact CB-CB 4.27Å; D966-S984 PolarHBondContact O-OG 2.72Å
967G66.3Low82.9Confident7 Ų720.6 Ų20.67%0.07213%0.126CC..SBendtrans-112169.6-171.600000115.8N969 D970G967-N969 PolarHBondContact O-N 3.38Å; G967-D970 PolarHBondContact O-N 3.14Å; G967-D970 VanDerWaalsContact O-N 3.1Å
968A60.5Low82.9Confident28 Ų2822.2 Ų22.223%0.23113%0.133CC..G310 helixtrans-66.3-22.7179.100000114.1L235 T236 D970 C971L235-A968 WeakPolarHBondContact O-CB 3.12Å; T236-A968 VanDerWaalsContact CA-CB 3.42Å; T236-A968 WeakPolarHBondContact O-CB 2.9Å; T236-A968 PolarHBondContact O-N 3.04Å; A968-D970 PolarHBondContact O-N 3.29Å; A968-D970 VanDerWaalsContact O-N 3.11Å; A968-C971 WeakPolarHBondContact O-CB 3.45Å; A968-C971 PolarHBondContact O-N 3.44Å; A968-C971 VanDerWaalsContact O-N 3.1Å
969N67.6Low83Confident87 Ų8721 Ų2147%0.46512%0.121SC..G310 helixtrans-59.9-19.9173.7-68.3-38.3000112.4P944 G967P944-N969 WeakPolarHBondContact CA-O 3.28Å; P944-N969 WeakPolarHBondContact CB-O 3.01Å; P944-N969 HydrophobicContact CG-CB 4Å; G967-N969 PolarHBondContact O-N 3.38Å
970D79.2Confident83.1Confident0 Ų020.4 Ų20.40%012%0.118CC..G310 helixtrans-97.2-10.9178.6-59.8-49.5000113.8K947 M963 G965 G967 A968 G972 A973 L974K947-D970 VanDerWaalsContact CD-OD1 3.23Å; K947-D970 WeakPolarHBondContact CD-OD1 3.47Å; K947-D970 WeakPolarHBondContact CE-OD1 3.33Å; K947-D970 IonicContact NZ-OD1 2.71Å; K947-D970 PolarHBondContact NZ-OD1 2.87Å; M963-D970 HydrophobicContact CE-CB 4.22Å; M963-D970 WeakPolarHBondContact CE-OD1 3.49Å; G965-D970 WeakPolarHBondContact CA-OD2 3.49Å; G967-D970 PolarHBondContact O-N 3.14Å; G967-D970 VanDerWaalsContact O-N 3.1Å; A968-D970 PolarHBondContact O-N 3.29Å; A968-D970 VanDerWaalsContact O-N 3.11Å; D970-G972 PolarHBondContact O-N 3.37Å; D970-G972 VanDerWaalsContact O-N 3.1Å; D970-A973 CarbonylContact O-C 3.42Å; D970-A973 WeakPolarHBondContact O-CA 3.46Å; D970-A973 PolarHBondContact O-N 3.15Å; D970-L974 HydrophobicContact CB-CD1 3.93Å; D970-L974 HydrophobicContact CB-CG 3.98Å; D970-L974 WeakPolarHBondContact O-CB 3.42Å; D970-L974 WeakPolarHBondContact O-CG 3.39Å; D970-L974 PolarHBondContact O-N 3.31Å
971C70.9Confident83.1Confident28 Ų2818 Ų1819%0.18911%0.108CC..Hα-helixtrans-51.2-42.6-174.3-77.80000112.9A968 K975 A991A968-C971 WeakPolarHBondContact O-CB 3.45Å; A968-C971 PolarHBondContact O-N 3.44Å; A968-C971 VanDerWaalsContact O-N 3.1Å; C971-K975 WeakPolarHBondContact O-CB 3.41Å; C971-K975 PolarHBondContact O-N 2.94Å; C971-A991 HydrophobicContact CB-CB 4.44Å
972G74.2Confident82.8Confident33 Ų3318 Ų1834%0.3411%0.108SC..Hα-helixtrans-62.6-45.6175.600000112.8D970 V976D970-G972 PolarHBondContact O-N 3.37Å; D970-G972 VanDerWaalsContact O-N 3.1Å; G972-V976 VanDerWaalsContact O-CG2 3.23Å; G972-V976 WeakPolarHBondContact O-CG2 3.2Å; G972-V976 PolarHBondContact O-N 2.78Å; G972-V976 VanDerWaalsContact O-N 3.14Å
973A85.6Confident82.2Confident0 Ų018 Ų180%011%0.108CC..Hα-helixtrans-69.8-42.3179.600000112.4K947 I951 M963 D970 K975 V976 A977K947-A973 HydrophobicContact CB-CB 3.89Å; I951-A973 HydrophobicContact CG1-CB 3.93Å; M963-A973 HydrophobicContact CE-CB 4.46Å; M963-A973 HydrophobicContact CG-CB 3.98Å; M963-A973 HydrophobicContact SD-CB 4.47Å; D970-A973 CarbonylContact O-C 3.42Å; D970-A973 WeakPolarHBondContact O-CA 3.46Å; D970-A973 PolarHBondContact O-N 3.15Å; A973-K975 VanDerWaalsContact C-N 3.33Å; A973-K975 PolarHBondContact O-N 3.23Å; A973-V976 PolarHBondContact O-N 3.47Å; A973-A977 WeakPolarHBondContact O-CB 3.05Å; A973-A977 PolarHBondContact O-N 2.89Å
974L85.7Confident80.8Confident0 Ų018.7 Ų18.70%011%0.112CC..Hα-helixtrans-59.2-43.8175.1-68.5173000111.4M963 D970 G980 I981 A982 A988M963-L974 HydrophobicContact CB-CD2 4.12Å; M963-L974 HydrophobicContact CG-CD2 3.79Å; M963-L974 HydrophobicContact CG-CG 4.3Å; M963-L974 VanDerWaalsContact O-CD2 3.28Å; M963-L974 WeakPolarHBondContact O-CD2 3.44Å; D970-L974 HydrophobicContact CB-CD1 3.93Å; D970-L974 HydrophobicContact CB-CG 3.98Å; D970-L974 WeakPolarHBondContact O-CB 3.42Å; D970-L974 WeakPolarHBondContact O-CG 3.39Å; D970-L974 PolarHBondContact O-N 3.31Å; L974-G980 WeakPolarHBondContact O-CA 3.33Å; L974-I981 VanDerWaalsContact CD2-O 3.28Å; L974-I981 WeakPolarHBondContact CD2-O 3.44Å; L974-A982 HydrophobicContact CD1-CB 4.43Å; L974-A988 HydrophobicContact CD1-CB 4.19Å
975K78.1Confident79Confident92 Ų9225 Ų2540%0.414%0.142SC..Hα-helixtrans-65.6-38.4177.9179.3179.7178.5-179.90113C971 A973C971-K975 WeakPolarHBondContact O-CB 3.41Å; C971-K975 PolarHBondContact O-N 2.94Å; A973-K975 VanDerWaalsContact C-N 3.33Å; A973-K975 PolarHBondContact O-N 3.23Å
976V82.5Confident77Confident21 Ų2126.1 Ų26.113%0.12715%0.151CC..Hα-helixtrans-78.1-32.6-178.1170.60000111.7A948 I951 E952 Q955 G972 A973A948-V976 HydrophobicContact CB-CG2 4.4Å; I951-V976 HydrophobicContact CB-CG1 4.11Å; I951-V976 HydrophobicContact CG2-CB 4.34Å; I951-V976 HydrophobicContact CG2-CG1 3.81Å; E952-V976 HydrophobicContact CG-CG1 3.44Å; E952-V976 VanDerWaalsContact CG-CG1 3.44Å; Q955-V976 PolarHBondContact NE2-O 3.42Å; G972-V976 VanDerWaalsContact O-CG2 3.23Å; G972-V976 WeakPolarHBondContact O-CG2 3.2Å; G972-V976 PolarHBondContact O-N 2.78Å; G972-V976 VanDerWaalsContact O-N 3.14Å; A973-V976 PolarHBondContact O-N 3.47Å
977A89.8Confident75.6Confident8 Ų826.1 Ų26.17%0.06615%0.15CC..SBendtrans-58.4150.1-179.400000112.2I951 M963 A973 A979I951-A977 HydrophobicContact CG2-CB 4.05Å; M963-A977 HydrophobicContact CB-CB 3.74Å; A973-A977 WeakPolarHBondContact O-CB 3.05Å; A973-A977 PolarHBondContact O-N 2.89Å; A977-A979 PolarHBondContact O-N 2.69Å
978H88.1Confident74.6Confident40 Ų4026 Ų2619%0.18515%0.148CC..THydrogen-bonded Turntrans-65.9-31.6174-67103.7000111.1V393 V396 V961V393-H978 WeakPolarHBondContact CG1-O 3.17Å; V396-H978 HydrophobicContact CG1-CB 3.89Å; V961-H978 PolarHBondContact N-ND1 2.81Å; V961-H978 WeakPolarHBondContact O-CB 3.42Å; V961-H978 PolarHBondContact O-N 2.84Å
979A90.8Very high74.3Confident0 Ų025.9 Ų25.90%015%0.146CC..EExtended strand (participates in β ladder)trans-136.691.5170.400000109.8I400 V961 S962 M963 A977 F994I400-A979 HydrophobicContact CD1-CB 3.57Å; V961-A979 PolarHBondContact O-N 2.96Å; S962-A979 CarbonylContact C-O 3.53Å; S962-A979 VanDerWaalsContact CA-O 3.22Å; S962-A979 WeakPolarHBondContact CA-O 3.26Å; S962-A979 PolarHBondContact OG-O 3.44Å; M963-A979 PolarHBondContact N-O 3.27Å; A977-A979 PolarHBondContact O-N 2.69Å; A979-F994 HydrophobicContact CB-CD2 4.39Å; A979-F994 HydrophobicContact CB-CE2 4.1Å
980G91.2Very high73.6Confident0 Ų024 Ų240%014%0.138CC..EExtended strand (participates in β ladder)trans-80.7129.816700000110.8M963 L974 P993 F994M963-G980 CarbonylContact O-C 3.55Å; M963-G980 WeakPolarHBondContact O-CA 3.45Å; L974-G980 WeakPolarHBondContact O-CA 3.33Å; G980-P993 WeakPolarHBondContact O-CD 3.37Å; G980-P993 WeakPolarHBondContact O-CG 3.48Å; G980-F994 PolarHBondContact O-N 2.73Å
981I91.7Very high72.6Confident1 Ų124.8 Ų24.81%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-122.1115.2178.9-52.2164.6000108.7M963 C964 G965 L974 F994 V1004 L1007M963-I981 PolarHBondContact O-N 3.1Å; C964-I981 WeakPolarHBondContact CA-O 3.47Å; G965-I981 PolarHBondContact N-O 3.22Å; G965-I981 VanDerWaalsContact N-O 3.15Å; L974-I981 VanDerWaalsContact CD2-O 3.28Å; L974-I981 WeakPolarHBondContact CD2-O 3.44Å; I981-F994 WeakPolarHBondContact CA-O 3.2Å; I981-F994 HydrophobicContact CG1-CB 4.2Å; I981-V1004 HydrophobicContact CD1-CB 4.4Å; I981-V1004 HydrophobicContact CD1-CG2 3.78Å; I981-L1007 HydrophobicContact CD1-CD2 3.58Å; I981-L1007 HydrophobicContact CG1-CD2 3.77Å
982A88.5Confident72.7Confident0 Ų023.6 Ų23.60%014%0.136CC..EExtended strand (participates in β ladder)trans-86.8133.2169.600000110.6G965 L974 A988 S992 F994 T995 S996G965-A982 CarbonylContact O-C 3.51Å; G965-A982 WeakPolarHBondContact O-CA 3.36Å; L974-A982 HydrophobicContact CD1-CB 4.43Å; A982-A988 VanDerWaalsContact CB-C 3.47Å; A982-A988 HydrophobicContact CB-CB 3.67Å; A982-S992 WeakPolarHBondContact CB-OG 3.38Å; A982-F994 PolarHBondContact N-O 2.78Å; A982-T995 HydrophobicContact CB-CG2 4.38Å; A982-T995 CarbonylContact O-C 3.56Å; A982-T995 WeakPolarHBondContact O-CA 3.28Å; A982-S996 PolarHBondContact O-N 2.86Å
983L83Confident73Confident1 Ų123.1 Ų23.11%0.00513%0.126CC..  trans-91.6-8.1-179.8-67.9-176.9000114.9T410 G965 D966 S996 Q999 N1000 I1001 C1003T410-L983 HydrophobicContact CG2-CD1 3.95Å; G965-L983 PolarHBondContact O-N 3.29Å; D966-L983 HydrophobicContact CB-CB 4.27Å; L983-S996 CarbonylContact C-O 3.59Å; L983-Q999 VanDerWaalsContact O-CG 3.31Å; L983-Q999 WeakPolarHBondContact O-CG 3.37Å; L983-N1000 VanDerWaalsContact CD2-O 3.24Å; L983-N1000 WeakPolarHBondContact CD2-O 3.44Å; L983-I1001 HydrophobicContact CD1-CG2 4.22Å; L983-C1003 VanDerWaalsContact CD2-SG 3.56Å
984S65.4Low73.1Confident14 Ų1423.1 Ų23.110%0.09813%0.126CC..SBendtrans-117.8153.3-179.765.10000110.7D966 A986 T995D966-S984 PolarHBondContact O-OG 2.72Å; S984-A986 PolarHBondContact O-N 3.1Å; S984-A986 WeakPolarHBondContact OG-CB 3.34Å; S984-T995 WeakPolarHBondContact O-CG2 3.49Å
985E55.6Low73.1Confident135 Ų13523.7 Ų23.763%0.63113%0.13SC*.SBendtrans-70.2-1.3169.2-69.9-174.517900112.4R997E985-R997 IonicContact OE1-NE 2.78Å
986A46.3Very low73.6Confident23 Ų2319.3 Ų19.319%0.1911%0.111CC..SBendtrans-63.9172.8172.600000111.9S984 A988 S989S984-A986 PolarHBondContact O-N 3.1Å; S984-A986 WeakPolarHBondContact OG-CB 3.34Å; A986-A988 PolarHBondContact O-N 2.95Å; A986-S989 VanDerWaalsContact O-CB 3.26Å; A986-S989 WeakPolarHBondContact O-CB 3.33Å; A986-S989 PolarHBondContact O-N 2.91Å; A986-S989 PolarHBondContact O-OG 3.23Å
987E45.6Very low73.5Confident30 Ų3024.9 Ų24.914%0.1413%0.13CC..THydrogen-bonded Turntrans-65.3-7.5-170.4-66.5177.4175.100115.5T234 L235 L300 S989 V990T234-E987 WeakPolarHBondContact CB-OE1 3.42Å; T234-E987 HydrophobicContact CG2-CG 4.21Å; T234-E987 WeakPolarHBondContact CG2-OE1 3.47Å; T234-E987 WeakPolarHBondContact O-CB 3.48Å; T234-E987 WeakPolarHBondContact O-CG 3.03Å; L235-E987 WeakPolarHBondContact CA-OE2 3.47Å; L235-E987 WeakPolarHBondContact CD2-OE2 3.46Å; L300-E987 HydrophobicContact CD2-CB 4Å; L300-E987 HydrophobicContact CD2-CG 4.19Å; L300-E987 WeakPolarHBondContact CD2-OE2 3.37Å; E987-S989 PolarHBondContact O-N 2.76Å; E987-V990 HydrophobicContact CB-CG2 4.13Å; E987-V990 HydrophobicContact CG-CG2 4.32Å; E987-V990 WeakPolarHBondContact O-CA 3.47Å; E987-V990 VanDerWaalsContact O-CB 3.25Å; E987-V990 WeakPolarHBondContact O-CB 3Å; E987-V990 PolarHBondContact O-N 3.47Å
988A46.3Very low73.2Confident4 Ų429 Ų293%0.03315%0.148CC..Hα-helixtrans-52-27.8164.700000111.5L974 A982 A986 V990 S992L974-A988 HydrophobicContact CD1-CB 4.19Å; A982-A988 VanDerWaalsContact CB-C 3.47Å; A982-A988 HydrophobicContact CB-CB 3.67Å; A986-A988 PolarHBondContact O-N 2.95Å; A988-V990 VanDerWaalsContact C-N 3.27Å; A988-V990 PolarHBondContact O-N 2.93Å; A988-S992 VanDerWaalsContact O-CB 3.32Å; A988-S992 WeakPolarHBondContact O-CB 3.4Å; A988-S992 PolarHBondContact O-N 2.9Å; A988-S992 VanDerWaalsContact O-N 3.15Å; A988-S992 PolarHBondContact O-OG 3.39Å
989S53.4Low73Confident26 Ų2632.3 Ų32.318%0.18216%0.163CC..Hα-helixtrans-59.3-31.3170.362.30000114.7A986 E987 T995A986-S989 VanDerWaalsContact O-CB 3.26Å; A986-S989 WeakPolarHBondContact O-CB 3.33Å; A986-S989 PolarHBondContact O-N 2.91Å; A986-S989 PolarHBondContact O-OG 3.23Å; E987-S989 PolarHBondContact O-N 2.76Å; S989-T995 VanDerWaalsContact CA-OG1 3.23Å; S989-T995 WeakPolarHBondContact CA-OG1 3.43Å; S989-T995 VanDerWaalsContact CB-CG2 3.49Å; S989-T995 WeakPolarHBondContact CB-OG1 3.41Å
990V54.7Low72.9Confident49 Ų4933.3 Ų33.330%0.29717%0.169SC..Hα-helixtrans-78-35.3-175.8-176.40000111.4L300 I304 E987 A988L300-V990 HydrophobicContact CD1-CB 4.08Å; L300-V990 HydrophobicContact CD1-CG1 4.12Å; L300-V990 HydrophobicContact CD2-CB 3.78Å; L300-V990 HydrophobicContact CD2-CG1 3.65Å; L300-V990 HydrophobicContact CD2-CG2 4.1Å; L300-V990 HydrophobicContact CG-CB 4Å; L300-V990 HydrophobicContact CG-CG1 3.61Å; I304-V990 HydrophobicContact CD1-CG1 3.13Å; I304-V990 HydrophobicContact CG1-CG1 3.59Å; E987-V990 HydrophobicContact CB-CG2 4.13Å; E987-V990 HydrophobicContact CG-CG2 4.32Å; E987-V990 WeakPolarHBondContact O-CA 3.47Å; E987-V990 VanDerWaalsContact O-CB 3.25Å; E987-V990 WeakPolarHBondContact O-CB 3Å; E987-V990 PolarHBondContact O-N 3.47Å; A988-V990 VanDerWaalsContact C-N 3.27Å; A988-V990 PolarHBondContact O-N 2.93Å
991A57.8Low73.1Confident16 Ų1633.3 Ų33.313%0.13217%0.169CC..Hα-helixtrans-86.4-27-179.900000113.3L300 C971L300-A991 HydrophobicContact CD1-CB 4.07Å; C971-A991 HydrophobicContact CB-CB 4.44Å
992S73.2Confident73.1Confident3 Ų334.6 Ų34.62%0.02118%0.178CC..SBendtrans-90.8143.7-174.860.70000112A982 A988 F994A982-S992 WeakPolarHBondContact CB-OG 3.38Å; A988-S992 VanDerWaalsContact O-CB 3.32Å; A988-S992 WeakPolarHBondContact O-CB 3.4Å; A988-S992 PolarHBondContact O-N 2.9Å; A988-S992 VanDerWaalsContact O-N 3.15Å; A988-S992 PolarHBondContact O-OG 3.39Å; S992-F994 PolarHBondContact O-N 3.25Å; S992-F994 PolarHBondContact OG-O 3.28Å
993P78.9Confident73.4Confident22 Ų2234.7 Ų34.714%0.14318%0.178CC..SBendtrans-67.2-19.5175.225.6-33000113.1C388 V389 V393 G980C388-P993 WeakPolarHBondContact CA-O 3.31Å; V389-P993 PolarHBondContact N-O 3.31Å; V393-P993 HydrophobicContact CB-CB 4.43Å; V393-P993 HydrophobicContact CG1-CB 4.23Å; V393-P993 HydrophobicContact CG1-CG 4.34Å; V393-P993 HydrophobicContact CG2-CB 4.07Å; G980-P993 WeakPolarHBondContact O-CD 3.37Å; G980-P993 WeakPolarHBondContact O-CG 3.48Å
994F88.1Confident74Confident0 Ų034.7 Ų34.70%018%0.179CC..EExtended strand (participates in β ladder)trans-131.7139.7179.3-56.7-80.5000112.6L381 I386 F387 C388 V393 I394 C397 A979 G980 I981 A982 S992 L1007L381-F994 HydrophobicContact CD1-CE1 4.4Å; I386-F994 HydrophobicContact CG2-CB 4.44Å; I386-F994 HydrophobicContact CG2-CD1 4.34Å; F387-F994 CarbonylContact O-C 3.52Å; F387-F994 VanDerWaalsContact O-CA 3.22Å; F387-F994 WeakPolarHBondContact O-CA 3.1Å; C388-F994 HydrophobicContact CB-CD1 3.69Å; C388-F994 HydrophobicContact CB-CE1 3.67Å; C388-F994 WeakPolarHBondContact SG-CE1 3.34Å; V393-F994 HydrophobicContact CB-CE2 4.1Å; V393-F994 HydrophobicContact CB-CZ 3.94Å; V393-F994 HydrophobicContact CG1-CE2 3.55Å; V393-F994 HydrophobicContact CG1-CZ 3.87Å; I394-F994 HydrophobicContact CG1-CE1 3.87Å; I394-F994 HydrophobicContact CG1-CZ 4.1Å; C397-F994 WeakPolarHBondContact SG-CE2 3.48Å; C397-F994 VanDerWaalsContact SG-CZ 3.52Å; A979-F994 HydrophobicContact CB-CD2 4.39Å; A979-F994 HydrophobicContact CB-CE2 4.1Å; G980-F994 PolarHBondContact O-N 2.73Å; I981-F994 WeakPolarHBondContact CA-O 3.2Å; I981-F994 HydrophobicContact CG1-CB 4.2Å; A982-F994 PolarHBondContact N-O 2.78Å; S992-F994 PolarHBondContact O-N 3.25Å; S992-F994 PolarHBondContact OG-O 3.28Å; F994-L1007 HydrophobicContact CD1-CD1 3.79Å; F994-L1007 HydrophobicContact CD1-CD2 4.28Å; F994-L1007 HydrophobicContact CD2-CD2 3.77Å; F994-L1007 HydrophobicContact CE1-CD1 3.53Å; F994-L1007 HydrophobicContact CE1-CD2 4.45Å; F994-L1007 HydrophobicContact CE2-CD1 4.36Å; F994-L1007 HydrophobicContact CE2-CD2 3.98Å; F994-L1007 HydrophobicContact CG-CD1 4.3Å; F994-L1007 HydrophobicContact CG-CD2 3.94Å; F994-L1007 HydrophobicContact CZ-CD1 3.86Å; F994-L1007 HydrophobicContact CZ-CD2 4.33Å
995T86.4Confident75.4Confident13 Ų1334.7 Ų34.78%0.0818%0.178CC..EExtended strand (participates in β ladder)trans-126.8129.2172.5-47.40000109.3I386 F387 A982 S984 S989I386-T995 CarbonylContact C-O 3.56Å; I386-T995 WeakPolarHBondContact CA-O 3.35Å; F387-T995 PolarHBondContact N-O 3.4Å; F387-T995 PolarHBondContact O-N 3.32Å; A982-T995 HydrophobicContact CB-CG2 4.38Å; A982-T995 CarbonylContact O-C 3.56Å; A982-T995 WeakPolarHBondContact O-CA 3.28Å; S984-T995 WeakPolarHBondContact O-CG2 3.49Å; S989-T995 VanDerWaalsContact CA-OG1 3.23Å; S989-T995 WeakPolarHBondContact CA-OG1 3.43Å; S989-T995 VanDerWaalsContact CB-CG2 3.49Å; S989-T995 WeakPolarHBondContact CB-OG1 3.41Å
996S87.5Confident77.3Confident0 Ų029 Ų290%015%0.153CC..EExtended strand (participates in β ladder)trans-100130.1173.7-1800000109.3A982 L983 Q998A982-S996 PolarHBondContact O-N 2.86Å; L983-S996 CarbonylContact C-O 3.59Å; S996-Q998 VanDerWaalsContact C-N 3.28Å; S996-Q998 PolarHBondContact OG-N 2.71Å; S996-Q998 PolarHBondContact OG-O 3.39Å
997R80.8Confident79.7Confident137 Ų13728 Ų2852%0.51714%0.144SC..SBendtrans-72.4-26.3169.3-172.5174.6177.9177.31.5112.2G385 F387 E985G385-R997 PolarHBondContact O-N 2.79Å; F387-R997 HydrophobicContact CE2-CB 4.3Å; E985-R997 IonicContact OE1-NE 2.78Å
998Q84.2Confident82Confident96 Ų9626.7 Ų26.745%0.44914%0.138SC..SBendtrans-81.9119.1175.1-64.7-178.3-12.100108.6S996 N1000 S1002S996-Q998 VanDerWaalsContact C-N 3.28Å; S996-Q998 PolarHBondContact OG-N 2.71Å; S996-Q998 PolarHBondContact OG-O 3.39Å; Q998-N1000 PolarHBondContact O-N 2.97Å; Q998-S1002 PolarHBondContact OE1-OG 3.04Å
999Q83.9Confident84.3Confident109 Ų10929.4 Ų29.451%0.50915%0.147SC..SBendtrans-76.343.7179-69.1-179-27.700112.5K626 L983K626-Q999 WeakPolarHBondContact CD-O 3.44Å; K626-Q999 WeakPolarHBondContact CE-O 3.32Å; K626-Q999 PolarHBondContact NZ-O 3.05Å; L983-Q999 VanDerWaalsContact O-CG 3.31Å; L983-Q999 WeakPolarHBondContact O-CG 3.37Å
1000N89.2Confident86.3Confident21 Ų2128.8 Ų28.811%0.11214%0.141CC..SBendtrans-144.8165.2174.566.834.7000111K626 E628 L983 Q998 S1002 C1003K626-N1000 HydrophobicContact CD-CB 4.38Å; E628-N1000 VanDerWaalsContact CD-ND2 3.27Å; E628-N1000 PolarHBondContact OE1-ND2 2.96Å; E628-N1000 PolarHBondContact OE2-ND2 3.38Å; L983-N1000 VanDerWaalsContact CD2-O 3.24Å; L983-N1000 WeakPolarHBondContact CD2-O 3.44Å; Q998-N1000 PolarHBondContact O-N 2.97Å; N1000-S1002 PolarHBondContact O-N 3.12Å; N1000-S1002 VanDerWaalsContact OD1-CB 3.25Å; N1000-S1002 WeakPolarHBondContact OD1-CB 3.44Å; N1000-S1002 PolarHBondContact OD1-N 3.05Å; N1000-S1002 PolarHBondContact OD1-OG 3.23Å; N1000-C1003 PolarHBondContact O-SG 2.82Å
1001I93.7Very high88.1Confident0 Ų026.4 Ų26.40%013%0.127CC..THydrogen-bonded Turntrans-805.9-173.761.6161.2000114.4F405 T410 L411 T629 V632 I633 L983 C1003 V1004 P1005F405-I1001 HydrophobicContact CD1-CB 4.39Å; F405-I1001 HydrophobicContact CD1-CD1 4.39Å; F405-I1001 HydrophobicContact CD1-CG2 3.79Å; F405-I1001 HydrophobicContact CE1-CB 3.99Å; F405-I1001 HydrophobicContact CE1-CD1 4.03Å; F405-I1001 HydrophobicContact CE1-CG2 3.89Å; F405-I1001 HydrophobicContact CZ-CD1 4.49Å; T410-I1001 HydrophobicContact CG2-CG2 3.81Å; L411-I1001 HydrophobicContact CD2-CD1 3.79Å; T629-I1001 HydrophobicContact CG2-CD1 4.2Å; V632-I1001 HydrophobicContact CB-CD1 3.72Å; V632-I1001 HydrophobicContact CB-CG1 3.88Å; V632-I1001 HydrophobicContact CG1-CB 4.39Å; V632-I1001 HydrophobicContact CG1-CD1 3.59Å; V632-I1001 HydrophobicContact CG1-CG1 3.83Å; V632-I1001 HydrophobicContact CG2-CG1 4.17Å; I633-I1001 HydrophobicContact CD1-CD1 4.16Å; I633-I1001 HydrophobicContact CG1-CD1 4.33Å; L983-I1001 HydrophobicContact CD1-CG2 4.22Å; I1001-C1003 PolarHBondContact O-N 2.76Å; I1001-C1003 VanDerWaalsContact O-N 3.16Å; I1001-V1004 HydrophobicContact CB-CG2 4.42Å; I1001-V1004 WeakPolarHBondContact O-CB 3.4Å; I1001-V1004 WeakPolarHBondContact O-CG2 3.43Å; I1001-V1004 PolarHBondContact O-N 3.02Å; I1001-P1005 WeakPolarHBondContact O-CD 3.43Å
1002S93.6Very high89.8Confident28 Ų2825.9 Ų25.920%0.19612%0.122CC..THydrogen-bonded Turntrans-64.1-20.2178.876.30000113.3Q998 N1000 V1004 P1005 T1006Q998-S1002 PolarHBondContact OE1-OG 3.04Å; N1000-S1002 PolarHBondContact O-N 3.12Å; N1000-S1002 VanDerWaalsContact OD1-CB 3.25Å; N1000-S1002 WeakPolarHBondContact OD1-CB 3.44Å; N1000-S1002 PolarHBondContact OD1-N 3.05Å; N1000-S1002 PolarHBondContact OD1-OG 3.23Å; S1002-V1004 VanDerWaalsContact C-N 3.3Å; S1002-V1004 PolarHBondContact O-N 3.47Å; S1002-P1005 WeakPolarHBondContact O-CD 3.43Å; S1002-P1005 WeakPolarHBondContact O-CG 3.38Å; S1002-T1006 PolarHBondContact O-OG1 3.3Å; S1002-T1006 VanDerWaalsContact O-OG1 3.07Å
1003C93.6Very high90.7Very high2 Ų225.7 Ų25.71%0.01412%0.121CC..Hα-helixtrans-62.8-32.5172.860.60000112.7I386 L983 N1000 I1001 T1006 L1007I386-C1003 HydrophobicContact CD1-CB 3.72Å; I386-C1003 HydrophobicContact CG1-CB 4Å; L983-C1003 VanDerWaalsContact CD2-SG 3.56Å; N1000-C1003 PolarHBondContact O-SG 2.82Å; I1001-C1003 PolarHBondContact O-N 2.76Å; I1001-C1003 VanDerWaalsContact O-N 3.16Å; C1003-T1006 WeakPolarHBondContact O-CB 3.32Å; C1003-T1006 PolarHBondContact O-N 2.81Å; C1003-L1007 WeakPolarHBondContact O-CB 3.44Å; C1003-L1007 PolarHBondContact O-N 3.09Å
1004V95.9Very high91.3Very high1 Ų124.7 Ų24.71%0.00611%0.114CC..Hα-helixtrans-62.2-57-175.9-176.60000112.9A403 F405 L636 C964 I981 I1001 S1002 T1006 L1007 I1008A403-V1004 HydrophobicContact CB-CG1 4.45Å; F405-V1004 HydrophobicContact CE1-CG2 3.89Å; F405-V1004 HydrophobicContact CZ-CG1 4.38Å; F405-V1004 HydrophobicContact CZ-CG2 4.44Å; L636-V1004 HydrophobicContact CD1-CG1 4.44Å; L636-V1004 HydrophobicContact CD2-CG1 4.38Å; C964-V1004 HydrophobicContact CB-CG2 4.18Å; I981-V1004 HydrophobicContact CD1-CB 4.4Å; I981-V1004 HydrophobicContact CD1-CG2 3.78Å; I1001-V1004 HydrophobicContact CB-CG2 4.42Å; I1001-V1004 WeakPolarHBondContact O-CB 3.4Å; I1001-V1004 WeakPolarHBondContact O-CG2 3.43Å; I1001-V1004 PolarHBondContact O-N 3.02Å; S1002-V1004 VanDerWaalsContact C-N 3.3Å; S1002-V1004 PolarHBondContact O-N 3.47Å; V1004-T1006 PolarHBondContact O-N 2.8Å; V1004-L1007 PolarHBondContact O-N 3.32Å; V1004-I1008 HydrophobicContact CG1-CD1 3.89Å; V1004-I1008 VanDerWaalsContact O-CG1 3.3Å; V1004-I1008 WeakPolarHBondContact O-CG1 3.41Å; V1004-I1008 PolarHBondContact O-N 3.32Å
1005P95.3Very high91.3Very high13 Ų1324.7 Ų24.78%0.08411%0.114CC..Hα-helixtrans-64.3-28.8177.325.7-35.3000112.3V632 T635 I1001 S1002 R1009 L1075V632-P1005 HydrophobicContact CG1-CG 4.05Å; V632-P1005 HydrophobicContact CG2-CG 4.43Å; T635-P1005 HydrophobicContact CG2-CB 4.3Å; I1001-P1005 WeakPolarHBondContact O-CD 3.43Å; S1002-P1005 WeakPolarHBondContact O-CD 3.43Å; S1002-P1005 WeakPolarHBondContact O-CG 3.38Å; P1005-R1009 WeakPolarHBondContact O-CB 3.47Å; P1005-R1009 VanDerWaalsContact O-CG 3.22Å; P1005-R1009 WeakPolarHBondContact O-CG 3.37Å; P1005-R1009 PolarHBondContact O-N 3.24Å; P1005-R1009 PolarHBondContact O-NE 2.77Å; P1005-L1075 HydrophobicContact CB-CD2 4.38Å
1006T95.2Very high91.4Very high17 Ų1725 Ų2510%0.10412%0.116CC..Hα-helixtrans-66.8-47.4175-57.60000111.5H384 I386 S1002 C1003 V1004 I1008 R1009 E1010H384-T1006 HydrophobicContact CB-CG2 4.35Å; I386-T1006 HydrophobicContact CD1-CG2 4.19Å; S1002-T1006 PolarHBondContact O-OG1 3.3Å; S1002-T1006 VanDerWaalsContact O-OG1 3.07Å; C1003-T1006 WeakPolarHBondContact O-CB 3.32Å; C1003-T1006 PolarHBondContact O-N 2.81Å; V1004-T1006 PolarHBondContact O-N 2.8Å; T1006-I1008 VanDerWaalsContact C-N 3.35Å; T1006-I1008 PolarHBondContact O-N 2.74Å; T1006-R1009 PolarHBondContact O-N 3.5Å; T1006-R1009 PolarHBondContact OG1-NH2 3.32Å; T1006-E1010 PolarHBondContact O-N 3.32Å
1007L95.6Very high91.5Very high2 Ų225.1 Ų25.11%0.0112%0.117CC..Hα-helixtrans-59.9-44.1176.6-179.662.5000111.8L381 C397 I981 F994 C1003 V1004 E1010 G1011L381-L1007 HydrophobicContact CD1-CD1 3.74Å; L381-L1007 HydrophobicContact CD2-CD1 3.94Å; C397-L1007 HydrophobicContact CB-CD1 4.44Å; C397-L1007 HydrophobicContact CB-CG 4.08Å; I981-L1007 HydrophobicContact CD1-CD2 3.58Å; I981-L1007 HydrophobicContact CG1-CD2 3.77Å; F994-L1007 HydrophobicContact CD1-CD1 3.79Å; F994-L1007 HydrophobicContact CD1-CD2 4.28Å; F994-L1007 HydrophobicContact CD2-CD2 3.77Å; F994-L1007 HydrophobicContact CE1-CD1 3.53Å; F994-L1007 HydrophobicContact CE1-CD2 4.45Å; F994-L1007 HydrophobicContact CE2-CD1 4.36Å; F994-L1007 HydrophobicContact CE2-CD2 3.98Å; F994-L1007 HydrophobicContact CG-CD1 4.3Å; F994-L1007 HydrophobicContact CG-CD2 3.94Å; F994-L1007 HydrophobicContact CZ-CD1 3.86Å; F994-L1007 HydrophobicContact CZ-CD2 4.33Å; C1003-L1007 WeakPolarHBondContact O-CB 3.44Å; C1003-L1007 PolarHBondContact O-N 3.09Å; V1004-L1007 PolarHBondContact O-N 3.32Å; L1007-E1010 PolarHBondContact O-N 2.73Å; L1007-G1011 PolarHBondContact O-N 3.42Å
1008I95.5Very high91.8Very high1 Ų118.7 Ų18.71%0.0059%0.092CC..Hα-helixtrans-67.3-40.3179.7-60.7165.1000110.7I400 L636 I641 V1004 T1006 G1011 R1012 L1075I400-I1008 HydrophobicContact CB-CD1 4.41Å; I400-I1008 HydrophobicContact CB-CG1 4.35Å; I400-I1008 HydrophobicContact CD1-CG1 4.13Å; I400-I1008 HydrophobicContact CG2-CD1 4.05Å; I400-I1008 HydrophobicContact CG2-CG1 4.47Å; L636-I1008 HydrophobicContact CD2-CD1 4.05Å; I641-I1008 HydrophobicContact CD1-CD1 3.69Å; I641-I1008 HydrophobicContact CD1-CG2 4Å; V1004-I1008 HydrophobicContact CG1-CD1 3.89Å; V1004-I1008 VanDerWaalsContact O-CG1 3.3Å; V1004-I1008 WeakPolarHBondContact O-CG1 3.41Å; V1004-I1008 PolarHBondContact O-N 3.32Å; T1006-I1008 VanDerWaalsContact C-N 3.35Å; T1006-I1008 PolarHBondContact O-N 2.74Å; I1008-G1011 PolarHBondContact O-N 2.83Å; I1008-R1012 HydrophobicContact CG2-CG 4.46Å; I1008-R1012 WeakPolarHBondContact O-CB 3.23Å; I1008-R1012 VanDerWaalsContact O-CG 3.26Å; I1008-R1012 WeakPolarHBondContact O-CG 3.37Å; I1008-R1012 PolarHBondContact O-N 2.77Å; I1008-L1075 HydrophobicContact CB-CD1 4.07Å; I1008-L1075 HydrophobicContact CG2-CD1 3.63Å
1009R94.8Very high91.8Very high62 Ų6215 Ų1523%0.2348%0.075CC..Hα-helixtrans-59.9-47.4174.6-77.1179.5-63.2150.76111.7P1005 T1006 R1012 C1013 A1071 Y1072 P1073 L1075P1005-R1009 WeakPolarHBondContact O-CB 3.47Å; P1005-R1009 VanDerWaalsContact O-CG 3.22Å; P1005-R1009 WeakPolarHBondContact O-CG 3.37Å; P1005-R1009 PolarHBondContact O-N 3.24Å; P1005-R1009 PolarHBondContact O-NE 2.77Å; T1006-R1009 PolarHBondContact O-N 3.5Å; T1006-R1009 PolarHBondContact OG1-NH2 3.32Å; R1009-R1012 PolarHBondContact O-N 2.78Å; R1009-C1013 WeakPolarHBondContact O-CB 3.47Å; R1009-C1013 PolarHBondContact O-N 2.63Å; R1009-A1071 HydrophobicContact CB-CB 4.29Å; R1009-Y1072 WeakPolarHBondContact CD-O 3.39Å; R1009-P1073 VanDerWaalsContact CD-O 3.32Å; R1009-P1073 WeakPolarHBondContact CD-O 3.43Å; R1009-P1073 PolarHBondContact NH1-O 3.19Å; R1009-L1075 HydrophobicContact CG-CB 4.23Å; R1009-L1075 HydrophobicContact CG-CD1 3.79Å
1010E94.7Very high92Very high12 Ų1210.2 Ų10.26%0.0565%0.054CC..Hα-helixtrans-66.4-39177.5-75.3-61155.400112.2R380 L381 T1006 L1007 R1012 C1013 A1014 A1071R380-E1010 IonicContact CZ-OE2 2.83Å; R380-E1010 IonicContact NE-OE1 3.2Å; R380-E1010 PolarHBondContact NE-OE1 3.23Å; R380-E1010 IonicContact NE-OE2 2.81Å; R380-E1010 PolarHBondContact NE-OE2 3.39Å; R380-E1010 IonicContact NH2-OE2 3.22Å; R380-E1010 PolarHBondContact NH2-OE2 3.15Å; L381-E1010 HydrophobicContact CD2-CB 3.9Å; L381-E1010 HydrophobicContact CD2-CG 3.94Å; L381-E1010 HydrophobicContact CG-CB 4.18Å; L381-E1010 HydrophobicContact CG-CG 4.29Å; T1006-E1010 PolarHBondContact O-N 3.32Å; L1007-E1010 PolarHBondContact O-N 2.73Å; E1010-R1012 PolarHBondContact O-N 2.84Å; E1010-C1013 WeakPolarHBondContact O-CB 3.42Å; E1010-C1013 PolarHBondContact O-N 3.07Å; E1010-A1014 WeakPolarHBondContact O-CB 3.39Å; E1010-A1014 PolarHBondContact O-N 3.21Å; E1010-A1071 HydrophobicContact CG-CB 4.46Å; E1010-A1071 WeakPolarHBondContact OE1-CB 2.79Å
1011G93Very high92Very high0 Ų09.3 Ų9.30%05%0.05CC..Hα-helixtrans-62.1-41.317400000112.9I394 L1007 I1008 C1013 A1014 L1015I394-G1011 WeakPolarHBondContact O-CA 3.49Å; L1007-G1011 PolarHBondContact O-N 3.42Å; I1008-G1011 PolarHBondContact O-N 2.83Å; G1011-C1013 VanDerWaalsContact C-N 3.35Å; G1011-A1014 PolarHBondContact O-N 2.99Å; G1011-L1015 WeakPolarHBondContact O-CB 3.37Å; G1011-L1015 PolarHBondContact O-N 3.09Å
1012R92.7Very high91.6Very high4 Ų49.6 Ų9.62%0.0155%0.052CC..Hα-helixtrans-64.7-39.7174.8-73.1179.2179.9174.45.8112G398 I1008 R1009 E1010 T1016 L1075 S1076 P1080 Y1158G398-R1012 WeakPolarHBondContact O-CG 3.44Å; G398-R1012 PolarHBondContact O-NE 2.86Å; I1008-R1012 HydrophobicContact CG2-CG 4.46Å; I1008-R1012 WeakPolarHBondContact O-CB 3.23Å; I1008-R1012 VanDerWaalsContact O-CG 3.26Å; I1008-R1012 WeakPolarHBondContact O-CG 3.37Å; I1008-R1012 PolarHBondContact O-N 2.77Å; R1009-R1012 PolarHBondContact O-N 2.78Å; E1010-R1012 PolarHBondContact O-N 2.84Å; R1012-T1016 WeakPolarHBondContact O-CB 3.46Å; R1012-T1016 PolarHBondContact O-N 2.9Å; R1012-T1016 PolarHBondContact O-OG1 3.46Å; R1012-L1075 VanDerWaalsContact NH1-CD1 3.25Å; R1012-S1076 VanDerWaalsContact NH1-C 3.31Å; R1012-S1076 PolarHBondContact NH1-O 3.05Å; R1012-S1076 PolarHBondContact NH1-OG 3.41Å; R1012-P1080 HydrophobicContact CB-CG 4.3Å; R1012-P1080 HydrophobicContact CG-CG 4.1Å; R1012-Y1158 HydrophobicContact CB-CD1 3.91Å; R1012-Y1158 HydrophobicContact CG-CD1 4.32Å
1013C93.1Very high91.3Very high0 Ų08.9 Ų8.90%05%0.045CC..Hα-helixtrans-63.9-50.3175.1-179.40000111.5R1009 E1010 G1011 L1015 T1016 T1017 T1069 A1071R1009-C1013 WeakPolarHBondContact O-CB 3.47Å; R1009-C1013 PolarHBondContact O-N 2.63Å; E1010-C1013 WeakPolarHBondContact O-CB 3.42Å; E1010-C1013 PolarHBondContact O-N 3.07Å; G1011-C1013 VanDerWaalsContact C-N 3.35Å; C1013-L1015 PolarHBondContact O-N 3.3Å; C1013-T1016 PolarHBondContact O-N 3.03Å; C1013-T1017 VanDerWaalsContact O-CB 3.25Å; C1013-T1017 WeakPolarHBondContact O-CB 3.39Å; C1013-T1017 PolarHBondContact O-N 2.86Å; C1013-T1017 PolarHBondContact O-OG1 3.23Å; C1013-T1069 PolarHBondContact SG-O 2.85Å; C1013-T1069 VanDerWaalsContact SG-O 3.4Å; C1013-A1071 HydrophobicContact CB-CB 3.69Å
1014A91.1Very high91.2Very high0 Ų08.8 Ų8.80%04%0.044CC..Hα-helixtrans-60.3-44.5179.200000111.6A377 I394 N395 E1010 G1011 T1017 S1018A377-A1014 HydrophobicContact CB-CB 3.81Å; I394-A1014 HydrophobicContact CG2-CB 3.9Å; N395-A1014 VanDerWaalsContact OD1-C 3.23Å; N395-A1014 WeakPolarHBondContact OD1-CB 3.25Å; E1010-A1014 WeakPolarHBondContact O-CB 3.39Å; E1010-A1014 PolarHBondContact O-N 3.21Å; G1011-A1014 PolarHBondContact O-N 2.99Å; A1014-T1017 PolarHBondContact O-N 3.13Å; A1014-S1018 WeakPolarHBondContact O-CB 3.42Å; A1014-S1018 PolarHBondContact O-N 3Å; A1014-S1018 PolarHBondContact O-OG 3.44Å
1015L87.6Confident90.9Very high1 Ų18.8 Ų8.81%0.0054%0.044CC..Hα-helixtrans-63.5-51.4177.3-166.569.3000110.7F312 N395 V399 G1011 C1013 T1017 S1018 F1019 P1080 M1082F312-L1015 HydrophobicContact CZ-CD1 4.07Å; N395-L1015 HydrophobicContact CB-CD1 3.96Å; N395-L1015 PolarHBondContact OD1-N 3.23Å; V399-L1015 HydrophobicContact CG1-CD2 3.9Å; G1011-L1015 WeakPolarHBondContact O-CB 3.37Å; G1011-L1015 PolarHBondContact O-N 3.09Å; C1013-L1015 PolarHBondContact O-N 3.3Å; L1015-T1017 VanDerWaalsContact C-N 3.26Å; L1015-T1017 PolarHBondContact O-N 3.25Å; L1015-S1018 WeakPolarHBondContact O-CB 3.32Å; L1015-S1018 PolarHBondContact O-N 2.8Å; L1015-S1018 VanDerWaalsContact O-N 3.16Å; L1015-F1019 HydrophobicContact CD1-CD2 4.11Å; L1015-F1019 HydrophobicContact CD1-CE2 3.72Å; L1015-F1019 HydrophobicContact CD2-CE2 4.4Å; L1015-F1019 HydrophobicContact CG-CD2 3.95Å; L1015-F1019 HydrophobicContact CG-CE2 3.82Å; L1015-F1019 VanDerWaalsContact O-CD2 3.23Å; L1015-F1019 WeakPolarHBondContact O-CD2 3.34Å; L1015-F1019 PolarHBondContact O-N 2.88Å; L1015-P1080 HydrophobicContact CB-CG 4.46Å; L1015-P1080 HydrophobicContact CD2-CB 4.17Å; L1015-P1080 HydrophobicContact CD2-CG 3.77Å; L1015-M1082 HydrophobicContact CD2-CG 4.46Å
1016T88.6Confident90.4Very high19 Ų198.5 Ų8.512%0.1174%0.042CC..Hα-helixtrans-61.4-36179.6-54.90000112.2R1012 C1013 G1020 Y1158R1012-T1016 WeakPolarHBondContact O-CB 3.46Å; R1012-T1016 PolarHBondContact O-N 2.9Å; R1012-T1016 PolarHBondContact O-OG1 3.46Å; C1013-T1016 PolarHBondContact O-N 3.03Å; T1016-G1020 PolarHBondContact O-N 3.31Å; T1016-Y1158 HydrophobicContact CG2-CD2 4.26Å; T1016-Y1158 WeakPolarHBondContact OG1-CD2 3.17Å
1017T90.5Very high90.2Very high3 Ų37.7 Ų7.72%0.0184%0.037CC..Hα-helixtrans-65.8-47.4175.4-60.30000110.8C1013 A1014 L1015 F1019 G1020 A1021 F1066 R1159C1013-T1017 VanDerWaalsContact O-CB 3.25Å; C1013-T1017 WeakPolarHBondContact O-CB 3.39Å; C1013-T1017 PolarHBondContact O-N 2.86Å; C1013-T1017 PolarHBondContact O-OG1 3.23Å; A1014-T1017 PolarHBondContact O-N 3.13Å; L1015-T1017 VanDerWaalsContact C-N 3.26Å; L1015-T1017 PolarHBondContact O-N 3.25Å; T1017-F1019 VanDerWaalsContact C-N 3.33Å; T1017-F1019 PolarHBondContact O-N 2.59Å; T1017-G1020 PolarHBondContact O-N 3.26Å; T1017-A1021 WeakPolarHBondContact O-CB 3.05Å; T1017-A1021 PolarHBondContact O-N 3.08Å; T1017-F1066 HydrophobicContact CG2-CD1 4.12Å; T1017-F1066 HydrophobicContact CG2-CE1 4.23Å; T1017-R1159 WeakPolarHBondContact OG1-CD 3.36Å; T1017-R1159 PolarHBondContact OG1-NE 2.91Å
1018S85.8Confident90Very high1 Ų17.7 Ų7.71%0.0074%0.037CC..Hα-helixtrans-59.4-42.8177-58.50000111.7A1014 L1015 F1022A1014-S1018 WeakPolarHBondContact O-CB 3.42Å; A1014-S1018 PolarHBondContact O-N 3Å; A1014-S1018 PolarHBondContact O-OG 3.44Å; L1015-S1018 WeakPolarHBondContact O-CB 3.32Å; L1015-S1018 PolarHBondContact O-N 2.8Å; L1015-S1018 VanDerWaalsContact O-N 3.16Å; S1018-F1022 WeakPolarHBondContact O-CB 3.39Å; S1018-F1022 PolarHBondContact O-N 2.86Å
1019F85Confident89.7Confident20 Ų207.7 Ų7.79%0.0884%0.037CC..Hα-helixtrans-65.1-45.7175.3-90.2-103.7000113.1F314 L1015 T1017 F1022 K1023 G1081 M1082 L1084 T1089F314-F1019 HydrophobicContact CD2-CD2 4.21Å; F314-F1019 AromaticContact CD2-CE2 3.57Å; F314-F1019 HydrophobicContact CD2-CE2 3.57Å; F314-F1019 AromaticContact CD2-CZ 3.86Å; F314-F1019 HydrophobicContact CD2-CZ 3.86Å; F314-F1019 AromaticContact CE2-CD2 3.76Å; F314-F1019 HydrophobicContact CE2-CD2 3.76Å; F314-F1019 AromaticContact CE2-CE2 3.59Å; F314-F1019 HydrophobicContact CE2-CE2 3.59Å; F314-F1019 HydrophobicContact CE2-CG 4.32Å; F314-F1019 AromaticContact CE2-CZ 3.99Å; F314-F1019 HydrophobicContact CE2-CZ 3.99Å; L1015-F1019 HydrophobicContact CD1-CD2 4.11Å; L1015-F1019 HydrophobicContact CD1-CE2 3.72Å; L1015-F1019 HydrophobicContact CD2-CE2 4.4Å; L1015-F1019 HydrophobicContact CG-CD2 3.95Å; L1015-F1019 HydrophobicContact CG-CE2 3.82Å; L1015-F1019 VanDerWaalsContact O-CD2 3.23Å; L1015-F1019 WeakPolarHBondContact O-CD2 3.34Å; L1015-F1019 PolarHBondContact O-N 2.88Å; T1017-F1019 VanDerWaalsContact C-N 3.33Å; T1017-F1019 PolarHBondContact O-N 2.59Å; F1019-F1022 PolarHBondContact O-N 2.92Å; F1019-K1023 WeakPolarHBondContact O-CG 3.39Å; F1019-K1023 PolarHBondContact O-N 3.13Å; F1019-G1081 WeakPolarHBondContact CZ-O 3.25Å; F1019-M1082 VanDerWaalsContact CZ-C 3.48Å; F1019-M1082 WeakPolarHBondContact CZ-O 3.48Å; F1019-L1084 HydrophobicContact CD1-CD1 3.76Å; F1019-L1084 HydrophobicContact CE1-CB 4.27Å; F1019-L1084 HydrophobicContact CE1-CD1 3.84Å; F1019-L1084 HydrophobicContact CG-CD1 4.33Å; F1019-L1084 HydrophobicContact CZ-CD1 4.42Å; F1019-T1089 HydrophobicContact CD1-CG2 4.4Å
1020G88.6Confident89.3Confident7 Ų74.9 Ų4.97%0.0723%0.027CC..Hα-helixtrans-65-41.2178.100000111.9T1016 T1017 K1023 F1024T1016-G1020 PolarHBondContact O-N 3.31Å; T1017-G1020 PolarHBondContact O-N 3.26Å; G1020-K1023 PolarHBondContact O-N 3.48Å; G1020-F1024 WeakPolarHBondContact O-CB 3.31Å; G1020-F1024 PolarHBondContact O-N 3.32Å
1021A88.5Confident89.2Confident3 Ų34.3 Ų4.33%0.0252%0.024CC..Hα-helixtrans-64-45.1175.700000110.9V369 T1017 K1023 F1024 M1025 F1066V369-A1021 HydrophobicContact CG1-CB 3.77Å; T1017-A1021 WeakPolarHBondContact O-CB 3.05Å; T1017-A1021 PolarHBondContact O-N 3.08Å; A1021-K1023 PolarHBondContact O-N 2.85Å; A1021-F1024 WeakPolarHBondContact O-CB 3.07Å; A1021-F1024 PolarHBondContact O-N 3.17Å; A1021-M1025 VanDerWaalsContact O-CG 3.25Å; A1021-M1025 WeakPolarHBondContact O-CG 3.29Å; A1021-M1025 PolarHBondContact O-N 3.21Å; A1021-F1066 HydrophobicContact CB-CD1 4.15Å; A1021-F1066 HydrophobicContact CB-CE1 4.11Å
1022F85.4Confident89.1Confident6 Ų64.5 Ų4.53%0.0263%0.025CC..Hα-helixtrans-58-48.1173.8-176.1-90000112.6F314 F321 L366 M370 S1018 F1019 F1024 M1025 V1026 L1084F314-F1022 HydrophobicContact CZ-CB 4.46Å; F321-F1022 HydrophobicContact CB-CZ 4.08Å; F321-F1022 AromaticContact CD1-CE1 3.54Å; F321-F1022 HydrophobicContact CD1-CE1 3.54Å; F321-F1022 AromaticContact CD1-CZ 3.36Å; F321-F1022 HydrophobicContact CD1-CZ 3.36Å; F321-F1022 HydrophobicContact CD2-CE1 4.49Å; F321-F1022 AromaticContact CE1-CE1 3.86Å; F321-F1022 HydrophobicContact CE1-CE1 3.86Å; F321-F1022 HydrophobicContact CE1-CZ 4.05Å; F321-F1022 AromaticContact CG-CE1 3.89Å; F321-F1022 HydrophobicContact CG-CE1 3.89Å; F321-F1022 AromaticContact CG-CZ 3.82Å; F321-F1022 HydrophobicContact CG-CZ 3.82Å; F321-F1022 HydrophobicContact CZ-CE1 4.48Å; L366-F1022 HydrophobicContact CD1-CD2 4.31Å; M370-F1022 HydrophobicContact SD-CB 3.82Å; M370-F1022 HydrophobicContact SD-CD2 4.11Å; M370-F1022 HydrophobicContact SD-CG 4.5Å; S1018-F1022 WeakPolarHBondContact O-CB 3.39Å; S1018-F1022 PolarHBondContact O-N 2.86Å; F1019-F1022 PolarHBondContact O-N 2.92Å; F1022-F1024 VanDerWaalsContact C-N 3.29Å; F1022-F1024 PolarHBondContact O-N 3.42Å; F1022-M1025 PolarHBondContact O-N 3.06Å; F1022-V1026 HydrophobicContact CD1-CG2 3.95Å; F1022-V1026 HydrophobicContact CE1-CG2 3.46Å; F1022-V1026 VanDerWaalsContact CE1-CG2 3.46Å; F1022-V1026 HydrophobicContact CE2-CG2 4.24Å; F1022-V1026 HydrophobicContact CZ-CG2 3.63Å; F1022-V1026 WeakPolarHBondContact O-CG2 3.42Å; F1022-V1026 PolarHBondContact O-N 3.41Å; F1022-L1084 HydrophobicContact CB-CD1 4.11Å; F1022-L1084 HydrophobicContact CD1-CD1 3.47Å; F1022-L1084 VanDerWaalsContact CD1-CD1 3.47Å; F1022-L1084 HydrophobicContact CD1-CD2 3.52Å; F1022-L1084 HydrophobicContact CD1-CG 3.77Å; F1022-L1084 HydrophobicContact CD2-CD2 3.95Å; F1022-L1084 HydrophobicContact CE1-CD1 4Å; F1022-L1084 HydrophobicContact CE1-CD2 3.2Å; F1022-L1084 HydrophobicContact CE1-CG 3.74Å; F1022-L1084 HydrophobicContact CE2-CD2 3.68Å; F1022-L1084 HydrophobicContact CG-CD1 3.8Å; F1022-L1084 HydrophobicContact CG-CD2 3.87Å; F1022-L1084 HydrophobicContact CG-CG 4.35Å; F1022-L1084 HydrophobicContact CZ-CD2 3.28Å; F1022-L1084 HydrophobicContact CZ-CG 4.31Å
1023K87.6Confident88.9Confident13 Ų134.6 Ų4.66%0.0573%0.025CC..Hα-helixtrans-58.7-41.9176.5-76.3-174.3176.4-163.70112F1019 G1020 A1021 G1027 S1092 F1152 E1223F1019-K1023 WeakPolarHBondContact O-CG 3.39Å; F1019-K1023 PolarHBondContact O-N 3.13Å; G1020-K1023 PolarHBondContact O-N 3.48Å; A1021-K1023 PolarHBondContact O-N 2.85Å; K1023-G1027 WeakPolarHBondContact O-CA 3.21Å; K1023-G1027 PolarHBondContact O-N 3.22Å; K1023-S1092 PolarHBondContact NZ-OG 3.38Å; K1023-F1152 HydrophobicContact CB-CD1 4.35Å; K1023-F1152 HydrophobicContact CB-CD2 3.78Å; K1023-F1152 HydrophobicContact CB-CE2 3.96Å; K1023-F1152 HydrophobicContact CB-CG 3.98Å; K1023-F1152 HydrophobicContact CB-CZ 4.33Å; K1023-F1152 HydrophobicContact CD-CD1 4.01Å; K1023-F1152 HydrophobicContact CD-CE1 4.15Å; K1023-F1152 HydrophobicContact CD-CG 4.37Å; K1023-F1152 WeakPolarHBondContact O-CE2 3.07Å; K1023-E1223 IonicContact NZ-OE1 2.79Å
1024F91Very high88.7Confident0 Ų07.4 Ų7.40%04%0.038CC..Hα-helixtrans-62.4-45.6175.6170.2-114.6000111.4G1020 A1021 F1022 G1027 Y1028 I1059 L1062 Y1145 L1148 A1149 F1152G1020-F1024 WeakPolarHBondContact O-CB 3.31Å; G1020-F1024 PolarHBondContact O-N 3.32Å; A1021-F1024 WeakPolarHBondContact O-CB 3.07Å; A1021-F1024 PolarHBondContact O-N 3.17Å; F1022-F1024 VanDerWaalsContact C-N 3.29Å; F1022-F1024 PolarHBondContact O-N 3.42Å; F1024-G1027 PolarHBondContact O-N 3.27Å; F1024-Y1028 PolarHBondContact O-N 2.87Å; F1024-I1059 HydrophobicContact CE1-CG2 4.23Å; F1024-I1059 HydrophobicContact CE2-CD1 4.2Å; F1024-I1059 HydrophobicContact CZ-CD1 3.71Å; F1024-I1059 HydrophobicContact CZ-CG2 4.4Å; F1024-L1062 HydrophobicContact CE1-CB 4.41Å; F1024-L1062 HydrophobicContact CZ-CB 4.14Å; F1024-Y1145 WeakPolarHBondContact CE2-O 3.37Å; F1024-L1148 HydrophobicContact CD2-CB 4.04Å; F1024-L1148 HydrophobicContact CE2-CB 4.49Å; F1024-A1149 HydrophobicContact CD2-CB 4.04Å; F1024-A1149 HydrophobicContact CE2-CB 3.76Å; F1024-A1149 HydrophobicContact CZ-CB 4.25Å; F1024-F1152 HydrophobicContact CB-CD2 4.34Å
1025M88.7Confident88.8Confident0 Ų07.4 Ų7.40%04%0.038CC..Hα-helixtrans-61.9-49.2179.6-67.8-54.8-89.500112.2P363 A365 L366 V369 A1021 F1022 G1027 Y1028 S1029 I1059P363-M1025 HydrophobicContact CB-CE 3.66Å; P363-M1025 HydrophobicContact CG-CB 4.22Å; P363-M1025 HydrophobicContact CG-CE 4.17Å; A365-M1025 VanDerWaalsContact C-CE 3.4Å; A365-M1025 HydrophobicContact CB-CE 3.67Å; L366-M1025 HydrophobicContact CB-CE 4.39Å; L366-M1025 HydrophobicContact CD1-CB 3.65Å; L366-M1025 HydrophobicContact CD1-CG 3.96Å; V369-M1025 HydrophobicContact CB-CE 4.1Å; V369-M1025 HydrophobicContact CB-CG 4.26Å; V369-M1025 HydrophobicContact CB-SD 4.18Å; V369-M1025 HydrophobicContact CG1-CG 3.83Å; V369-M1025 HydrophobicContact CG1-SD 4Å; V369-M1025 HydrophobicContact CG2-CE 3.86Å; V369-M1025 HydrophobicContact CG2-SD 4.02Å; A1021-M1025 VanDerWaalsContact O-CG 3.25Å; A1021-M1025 WeakPolarHBondContact O-CG 3.29Å; A1021-M1025 PolarHBondContact O-N 3.21Å; F1022-M1025 PolarHBondContact O-N 3.06Å; M1025-G1027 VanDerWaalsContact C-N 3.31Å; M1025-G1027 PolarHBondContact O-N 2.9Å; M1025-Y1028 HydrophobicContact CB-CE1 4.49Å; M1025-Y1028 HydrophobicContact CE-CE1 4.02Å; M1025-Y1028 WeakPolarHBondContact O-CD1 3.43Å; M1025-Y1028 VanDerWaalsContact O-CE1 3.24Å; M1025-Y1028 WeakPolarHBondContact O-CE1 3.43Å; M1025-Y1028 HydrophobicContact SD-CD1 4.14Å; M1025-Y1028 HydrophobicContact SD-CE1 3.95Å; M1025-S1029 PolarHBondContact O-N 3.46Å; M1025-S1029 PolarHBondContact O-OG 2.86Å; M1025-I1059 HydrophobicContact CE-CG2 4.39Å; M1025-I1059 HydrophobicContact SD-CG2 3.98Å
1026V85.8Confident88.8Confident7 Ų77.4 Ų7.44%0.0424%0.038CC..Hα-helixtrans-62.8-42.5174.2169.10000111.6F321 L325 F1022 Y1028 S1029 M1030 L1093F321-V1026 HydrophobicContact CD1-CG2 3.95Å; F321-V1026 HydrophobicContact CE1-CB 4.03Å; F321-V1026 HydrophobicContact CE1-CG1 3.47Å; F321-V1026 VanDerWaalsContact CE1-CG1 3.47Å; F321-V1026 HydrophobicContact CE1-CG2 3.41Å; F321-V1026 VanDerWaalsContact CE1-CG2 3.41Å; F321-V1026 HydrophobicContact CZ-CG1 3.78Å; F321-V1026 HydrophobicContact CZ-CG2 4.32Å; L325-V1026 HydrophobicContact CD1-CG1 3.98Å; L325-V1026 HydrophobicContact CD1-CG2 4.12Å; L325-V1026 HydrophobicContact CD2-CG1 4.02Å; F1022-V1026 HydrophobicContact CD1-CG2 3.95Å; F1022-V1026 HydrophobicContact CE1-CG2 3.46Å; F1022-V1026 VanDerWaalsContact CE1-CG2 3.46Å; F1022-V1026 HydrophobicContact CE2-CG2 4.24Å; F1022-V1026 HydrophobicContact CZ-CG2 3.63Å; F1022-V1026 WeakPolarHBondContact O-CG2 3.42Å; F1022-V1026 PolarHBondContact O-N 3.41Å; V1026-Y1028 VanDerWaalsContact C-N 3.32Å; V1026-Y1028 PolarHBondContact O-N 3.5Å; V1026-S1029 PolarHBondContact O-N 2.9Å; V1026-M1030 HydrophobicContact CG1-CG 4.35Å; V1026-M1030 WeakPolarHBondContact O-CB 3.32Å; V1026-M1030 WeakPolarHBondContact O-CG 3.24Å; V1026-M1030 PolarHBondContact O-N 3.3Å; V1026-L1093 HydrophobicContact CB-CD2 4.31Å; V1026-L1093 HydrophobicContact CG1-CD1 4.09Å; V1026-L1093 HydrophobicContact CG1-CD2 3.46Å; V1026-L1093 VanDerWaalsContact CG1-CD2 3.46Å; V1026-L1093 HydrophobicContact CG1-CG 4.33Å
1027G90.3Very high88.6Confident0 Ų08.2 Ų8.20%04%0.041CC..Hα-helixtrans-58.5-45.1-177.500000112.1K1023 F1024 M1025 I1031K1023-G1027 WeakPolarHBondContact O-CA 3.21Å; K1023-G1027 PolarHBondContact O-N 3.22Å; F1024-G1027 PolarHBondContact O-N 3.27Å; M1025-G1027 VanDerWaalsContact C-N 3.31Å; M1025-G1027 PolarHBondContact O-N 2.9Å; G1027-I1031 VanDerWaalsContact O-CG1 3.3Å; G1027-I1031 WeakPolarHBondContact O-CG1 3.38Å; G1027-I1031 PolarHBondContact O-N 2.96Å; G1027-I1031 VanDerWaalsContact O-N 3.08Å
1028Y91.7Very high88.5Confident3 Ų39.3 Ų9.31%0.0125%0.046CC..Hα-helixtrans-69-45.4177.5102.7-102.3000111.5P363 F1024 M1025 V1026 M1030 I1031 Q1032 I1059 Y1145P363-Y1028 WeakPolarHBondContact CA-OH 3.35Å; P363-Y1028 HydrophobicContact CB-CE1 3.68Å; P363-Y1028 WeakPolarHBondContact CB-OH 3.25Å; P363-Y1028 HydrophobicContact CG-CE1 3.57Å; F1024-Y1028 PolarHBondContact O-N 2.87Å; M1025-Y1028 HydrophobicContact CB-CE1 4.49Å; M1025-Y1028 HydrophobicContact CE-CE1 4.02Å; M1025-Y1028 WeakPolarHBondContact O-CD1 3.43Å; M1025-Y1028 VanDerWaalsContact O-CE1 3.24Å; M1025-Y1028 WeakPolarHBondContact O-CE1 3.43Å; M1025-Y1028 HydrophobicContact SD-CD1 4.14Å; M1025-Y1028 HydrophobicContact SD-CE1 3.95Å; V1026-Y1028 VanDerWaalsContact C-N 3.32Å; V1026-Y1028 PolarHBondContact O-N 3.5Å; Y1028-M1030 PolarHBondContact O-N 2.91Å; Y1028-I1031 WeakPolarHBondContact O-CB 3.38Å; Y1028-I1031 PolarHBondContact O-N 3.21Å; Y1028-Q1032 VanDerWaalsContact CE2-OE1 3.3Å; Y1028-Q1032 WeakPolarHBondContact O-CB 3.41Å; Y1028-Q1032 PolarHBondContact O-N 2.84Å; Y1028-I1059 HydrophobicContact CD1-CD1 4.16Å; Y1028-I1059 HydrophobicContact CD1-CG1 4.32Å; Y1028-I1059 HydrophobicContact CD1-CG2 3.66Å; Y1028-I1059 HydrophobicContact CD2-CD1 3.97Å; Y1028-I1059 HydrophobicContact CD2-CG1 3.87Å; Y1028-I1059 HydrophobicContact CE1-CG2 3.68Å; Y1028-I1059 HydrophobicContact CE2-CG1 4.27Å; Y1028-I1059 HydrophobicContact CE2-CG2 4.49Å; Y1028-I1059 HydrophobicContact CG-CD1 3.63Å; Y1028-I1059 HydrophobicContact CG-CG1 3.93Å; Y1028-I1059 HydrophobicContact CG-CG2 4.14Å; Y1028-Y1145 HydrophobicContact CD2-CE1 4.27Å
1029S88.9Confident88.6Confident1 Ų19.3 Ų9.31%0.0075%0.046CC..Hα-helixtrans-57.3-37.4179.7-67.80000111.5P363 M1025 V1026 Q1032 F1033P363-S1029 WeakPolarHBondContact CD-OG 3.45Å; P363-S1029 VanDerWaalsContact CG-OG 3.32Å; P363-S1029 WeakPolarHBondContact CG-OG 3.42Å; M1025-S1029 PolarHBondContact O-N 3.46Å; M1025-S1029 PolarHBondContact O-OG 2.86Å; V1026-S1029 PolarHBondContact O-N 2.9Å; S1029-Q1032 PolarHBondContact O-N 2.95Å; S1029-F1033 VanDerWaalsContact O-CB 3.26Å; S1029-F1033 WeakPolarHBondContact O-CB 3.15Å; S1029-F1033 PolarHBondContact O-N 3.42Å
1030M87.4Confident88.4Confident2 Ų29.1 Ų9.11%0.015%0.045CC..Hα-helixtrans-73.4-37176.9-73.2-58.9-4900113.3L325 L328 V1026 Y1028 Q1032 F1033 F1034 L1097L325-M1030 HydrophobicContact CD2-CG 4.06Å; L325-M1030 HydrophobicContact CD2-SD 3.8Å; L328-M1030 HydrophobicContact CD2-CE 3.29Å; L328-M1030 HydrophobicContact CD2-SD 3.97Å; L328-M1030 HydrophobicContact CG-CE 4.18Å; V1026-M1030 HydrophobicContact CG1-CG 4.35Å; V1026-M1030 WeakPolarHBondContact O-CB 3.32Å; V1026-M1030 WeakPolarHBondContact O-CG 3.24Å; V1026-M1030 PolarHBondContact O-N 3.3Å; Y1028-M1030 PolarHBondContact O-N 2.91Å; M1030-Q1032 VanDerWaalsContact C-N 3.33Å; M1030-F1033 HydrophobicContact CE-CD1 3.89Å; M1030-F1033 HydrophobicContact CE-CE1 4.32Å; M1030-F1033 PolarHBondContact O-N 3.21Å; M1030-F1034 HydrophobicContact CE-CE2 4.13Å; M1030-F1034 HydrophobicContact CE-CZ 4.01Å; M1030-F1034 WeakPolarHBondContact O-CD2 3.42Å; M1030-F1034 WeakPolarHBondContact O-CG 3.45Å; M1030-F1034 PolarHBondContact O-N 2.85Å; M1030-L1097 HydrophobicContact CB-CD1 3.81Å; M1030-L1097 HydrophobicContact CB-CD2 3.4Å; M1030-L1097 VanDerWaalsContact CB-CD2 3.4Å; M1030-L1097 HydrophobicContact CB-CG 4.21Å; M1030-L1097 HydrophobicContact CG-CD1 3.72Å; M1030-L1097 HydrophobicContact CG-CD2 4.24Å
1031I92.2Very high87.9Confident0 Ų015.5 Ų15.50%07%0.068CC..Hα-helixtrans-60.4-46.4171-73.3167.1000109.8G1027 Y1028 F1034 S1035 C1100 Q1104 Q1144 Y1145 L1148G1027-I1031 VanDerWaalsContact O-CG1 3.3Å; G1027-I1031 WeakPolarHBondContact O-CG1 3.38Å; G1027-I1031 PolarHBondContact O-N 2.96Å; G1027-I1031 VanDerWaalsContact O-N 3.08Å; Y1028-I1031 WeakPolarHBondContact O-CB 3.38Å; Y1028-I1031 PolarHBondContact O-N 3.21Å; I1031-F1034 PolarHBondContact O-N 2.87Å; I1031-S1035 PolarHBondContact O-N 2.85Å; I1031-S1035 PolarHBondContact O-OG 2.67Å; I1031-C1100 HydrophobicContact CD1-CB 4.25Å; I1031-C1100 HydrophobicContact CG1-CB 3.89Å; I1031-Q1104 PolarHBondContact O-NE2 3.16Å; I1031-Q1144 HydrophobicContact CD1-CB 3.83Å; I1031-Q1144 HydrophobicContact CG2-CB 4.3Å; I1031-Y1145 HydrophobicContact CB-CD1 4.27Å; I1031-Y1145 HydrophobicContact CB-CE1 3.68Å; I1031-Y1145 HydrophobicContact CD1-CD1 4.15Å; I1031-Y1145 HydrophobicContact CD1-CE1 4.42Å; I1031-Y1145 HydrophobicContact CG2-CD1 3.96Å; I1031-Y1145 HydrophobicContact CG2-CE1 3.32Å; I1031-L1148 HydrophobicContact CD1-CD1 3.3Å; I1031-L1148 HydrophobicContact CD1-CG 3.79Å; I1031-L1148 HydrophobicContact CG1-CD1 4.35Å
1032Q91.1Very high87.5Confident5 Ų516.5 Ų16.52%0.0237%0.073CC..Hα-helixtrans-63.4-42.1178.5-168.3174.118.900111.4V360 Y1028 S1029 M1030 F1034 S1035 V1036 F1051V360-Q1032 HydrophobicContact CG1-CB 3.96Å; V360-Q1032 HydrophobicContact CG1-CG 3.71Å; Y1028-Q1032 VanDerWaalsContact CE2-OE1 3.3Å; Y1028-Q1032 WeakPolarHBondContact O-CB 3.41Å; Y1028-Q1032 PolarHBondContact O-N 2.84Å; S1029-Q1032 PolarHBondContact O-N 2.95Å; M1030-Q1032 VanDerWaalsContact C-N 3.33Å; Q1032-F1034 PolarHBondContact O-N 2.89Å; Q1032-S1035 WeakPolarHBondContact O-CB 3.42Å; Q1032-S1035 PolarHBondContact O-N 3.46Å; Q1032-V1036 WeakPolarHBondContact O-CG2 3.38Å; Q1032-V1036 PolarHBondContact O-N 2.98Å; Q1032-F1051 HydrophobicContact CG-CE1 4.27Å
1033F88.4Confident87Confident5 Ų517.8 Ų17.82%0.0229%0.087CC..Hα-helixtrans-58-45.5173.3175.1-97.5000112.3A329 L357 V360 V361 S1029 M1030 V1036 I1037A329-F1033 HydrophobicContact CB-CE2 4.28Å; L357-F1033 HydrophobicContact CD1-CD2 3.49Å; L357-F1033 VanDerWaalsContact CD1-CD2 3.49Å; L357-F1033 HydrophobicContact CD1-CE2 3.63Å; L357-F1033 HydrophobicContact CD1-CG 4.45Å; L357-F1033 HydrophobicContact CD2-CD2 4.42Å; L357-F1033 HydrophobicContact CD2-CE2 3.69Å; L357-F1033 HydrophobicContact CD2-CZ 4.39Å; L357-F1033 HydrophobicContact CG-CD2 3.82Å; L357-F1033 HydrophobicContact CG-CE2 3.53Å; V360-F1033 HydrophobicContact CG1-CB 4.35Å; V361-F1033 HydrophobicContact CG2-CD2 3.82Å; V361-F1033 HydrophobicContact CG2-CE2 4.27Å; V361-F1033 HydrophobicContact CG2-CG 4.47Å; S1029-F1033 VanDerWaalsContact O-CB 3.26Å; S1029-F1033 WeakPolarHBondContact O-CB 3.15Å; S1029-F1033 PolarHBondContact O-N 3.42Å; M1030-F1033 HydrophobicContact CE-CD1 3.89Å; M1030-F1033 HydrophobicContact CE-CE1 4.32Å; M1030-F1033 PolarHBondContact O-N 3.21Å; F1033-V1036 PolarHBondContact O-N 2.94Å; F1033-I1037 HydrophobicContact CD1-CD1 3.75Å; F1033-I1037 HydrophobicContact CD2-CD1 4.27Å; F1033-I1037 HydrophobicContact CE1-CD1 3.27Å; F1033-I1037 HydrophobicContact CE2-CD1 3.84Å; F1033-I1037 HydrophobicContact CG-CD1 4.25Å; F1033-I1037 HydrophobicContact CZ-CD1 3.35Å; F1033-I1037 WeakPolarHBondContact O-CG1 3.36Å; F1033-I1037 PolarHBondContact O-N 3.32Å
1034F89Confident86.7Confident60 Ų6017.2 Ų17.226%0.2639%0.085SC..Hα-helixtrans-63.7-41.3174.2-70.1-52.7000112.2M1030 I1031 Q1032 V1036 I1037 L1038 L1097M1030-F1034 HydrophobicContact CE-CE2 4.13Å; M1030-F1034 HydrophobicContact CE-CZ 4.01Å; M1030-F1034 WeakPolarHBondContact O-CD2 3.42Å; M1030-F1034 WeakPolarHBondContact O-CG 3.45Å; M1030-F1034 PolarHBondContact O-N 2.85Å; I1031-F1034 PolarHBondContact O-N 2.87Å; Q1032-F1034 PolarHBondContact O-N 2.89Å; F1034-V1036 PolarHBondContact O-N 3.15Å; F1034-I1037 PolarHBondContact O-N 3.09Å; F1034-L1038 WeakPolarHBondContact O-CB 3.32Å; F1034-L1038 VanDerWaalsContact O-CG 3.3Å; F1034-L1038 WeakPolarHBondContact O-CG 3.4Å; F1034-L1038 PolarHBondContact O-N 3.06Å; F1034-L1097 HydrophobicContact CE2-CB 4.5Å
1035S92.1Very high86.2Confident0 Ų017.2 Ų17.20%09%0.085CC..Hα-helixtrans-58.8-48.3176-54.90000111.1I1031 Q1032 L1038 L1039 Q1104 S1141I1031-S1035 PolarHBondContact O-N 2.85Å; I1031-S1035 PolarHBondContact O-OG 2.67Å; Q1032-S1035 WeakPolarHBondContact O-CB 3.42Å; Q1032-S1035 PolarHBondContact O-N 3.46Å; S1035-L1038 PolarHBondContact O-N 3.45Å; S1035-L1039 VanDerWaalsContact O-CG 3.24Å; S1035-L1039 WeakPolarHBondContact O-CG 3.48Å; S1035-L1039 PolarHBondContact O-N 3.07Å; S1035-L1039 VanDerWaalsContact O-N 3.1Å; S1035-Q1104 PolarHBondContact OG-NE2 3.35Å; S1035-S1141 PolarHBondContact OG-OG 2.9Å
1036V88.1Confident86.2Confident0 Ų017.4 Ų17.40%09%0.086CC..Hα-helixtrans-63.7-44.9179.5173.70000111.3L357 Q1032 F1033 F1034 L1038 L1039 Y1040 I1046 F1051L357-V1036 HydrophobicContact CD1-CB 4.43Å; L357-V1036 HydrophobicContact CD1-CG1 4.02Å; Q1032-V1036 WeakPolarHBondContact O-CG2 3.38Å; Q1032-V1036 PolarHBondContact O-N 2.98Å; F1033-V1036 PolarHBondContact O-N 2.94Å; F1034-V1036 PolarHBondContact O-N 3.15Å; V1036-L1038 PolarHBondContact O-N 3.16Å; V1036-L1039 PolarHBondContact O-N 3.25Å; V1036-Y1040 HydrophobicContact CG1-CD1 4.09Å; V1036-Y1040 HydrophobicContact CG1-CD2 4.13Å; V1036-Y1040 HydrophobicContact CG1-CE1 3.7Å; V1036-Y1040 HydrophobicContact CG1-CE2 3.75Å; V1036-Y1040 HydrophobicContact CG1-CG 4.29Å; V1036-Y1040 PolarHBondContact O-N 2.96Å; V1036-I1046 HydrophobicContact CG2-CD1 4.18Å; V1036-F1051 HydrophobicContact CG2-CZ 4.21Å
1037I85.4Confident86.3Confident36 Ų3617.1 Ų17.119%0.1859%0.085CC..Hα-helixtrans-61.1-43177.6-71.7175.2000112.1L357 F1033 F1034 L1039 Y1040 Y1041L357-I1037 HydrophobicContact CD1-CD1 4.44Å; L357-I1037 HydrophobicContact CD1-CG1 3.93Å; L357-I1037 HydrophobicContact CD2-CD1 4.47Å; L357-I1037 HydrophobicContact CD2-CG1 4.4Å; F1033-I1037 HydrophobicContact CD1-CD1 3.75Å; F1033-I1037 HydrophobicContact CD2-CD1 4.27Å; F1033-I1037 HydrophobicContact CE1-CD1 3.27Å; F1033-I1037 HydrophobicContact CE2-CD1 3.84Å; F1033-I1037 HydrophobicContact CG-CD1 4.25Å; F1033-I1037 HydrophobicContact CZ-CD1 3.35Å; F1033-I1037 WeakPolarHBondContact O-CG1 3.36Å; F1033-I1037 PolarHBondContact O-N 3.32Å; F1034-I1037 PolarHBondContact O-N 3.09Å; I1037-L1039 VanDerWaalsContact C-N 3.26Å; I1037-L1039 PolarHBondContact O-N 3.44Å; I1037-Y1040 PolarHBondContact O-N 2.76Å; I1037-Y1041 PolarHBondContact O-N 3.07Å; I1037-Y1041 VanDerWaalsContact O-N 3.14Å
1038L88.3Confident86.1Confident26 Ų2618 Ų1814%0.1369%0.089CC..Hα-helixtrans-64-33.7178-72.7173.4000112.1F1034 S1035 V1036 Y1041 Q1104 F1105 F1108F1034-L1038 WeakPolarHBondContact O-CB 3.32Å; F1034-L1038 VanDerWaalsContact O-CG 3.3Å; F1034-L1038 WeakPolarHBondContact O-CG 3.4Å; F1034-L1038 PolarHBondContact O-N 3.06Å; S1035-L1038 PolarHBondContact O-N 3.45Å; V1036-L1038 PolarHBondContact O-N 3.16Å; L1038-Y1041 WeakPolarHBondContact O-CB 3.23Å; L1038-Q1104 HydrophobicContact CD1-CB 3.73Å; L1038-F1105 HydrophobicContact CD2-CD2 3.88Å; L1038-F1108 HydrophobicContact CB-CD2 4.43Å; L1038-F1108 WeakPolarHBondContact O-CE2 3.32Å
1039L86.6Confident86Confident1 Ų119.8 Ų19.81%0.00510%0.099CC..Hα-helixtrans-79.4-34.6177.5-62.4175.7000112S1035 V1036 I1037 Y1041 I1042 G1043 S1044 I1046 S1134S1035-L1039 VanDerWaalsContact O-CG 3.24Å; S1035-L1039 WeakPolarHBondContact O-CG 3.48Å; S1035-L1039 PolarHBondContact O-N 3.07Å; S1035-L1039 VanDerWaalsContact O-N 3.1Å; V1036-L1039 PolarHBondContact O-N 3.25Å; I1037-L1039 VanDerWaalsContact C-N 3.26Å; I1037-L1039 PolarHBondContact O-N 3.44Å; L1039-Y1041 PolarHBondContact O-N 2.91Å; L1039-I1042 HydrophobicContact CD2-CD1 4.44Å; L1039-I1042 CarbonylContact O-C 3.48Å; L1039-I1042 WeakPolarHBondContact O-CG1 3.39Å; L1039-I1042 PolarHBondContact O-N 3.11Å; L1039-G1043 PolarHBondContact O-N 2.85Å; L1039-S1044 CarbonylContact C-O 3.52Å; L1039-S1044 VanDerWaalsContact CB-O 3.23Å; L1039-S1044 WeakPolarHBondContact CB-O 3.32Å; L1039-S1044 PolarHBondContact O-N 3.1Å; L1039-S1044 VanDerWaalsContact O-O 3.04Å; L1039-I1046 HydrophobicContact CD1-CG1 3.68Å; L1039-S1134 VanDerWaalsContact CD2-CA 3.47Å
1040Y81Confident86.2Confident16 Ų1619.8 Ų19.86%0.06310%0.099CC..Hα-helixtrans-62.6-30.4172.4-77.73000112.7M340 R353 D356 V1036 I1037 I1042 G1043 S1044 N1045M340-Y1040 HydrophobicContact CE-CD1 4.41Å; M340-Y1040 HydrophobicContact CE-CD2 3.63Å; M340-Y1040 HydrophobicContact CE-CE2 4.11Å; M340-Y1040 HydrophobicContact CE-CG 3.8Å; R353-Y1040 HydrophobicContact CB-CE2 3.9Å; R353-Y1040 WeakPolarHBondContact CD-OH 3.35Å; R353-Y1040 PolarHBondContact O-OH 3.18Å; D356-Y1040 PolarHBondContact OD2-OH 3.16Å; V1036-Y1040 HydrophobicContact CG1-CD1 4.09Å; V1036-Y1040 HydrophobicContact CG1-CD2 4.13Å; V1036-Y1040 HydrophobicContact CG1-CE1 3.7Å; V1036-Y1040 HydrophobicContact CG1-CE2 3.75Å; V1036-Y1040 HydrophobicContact CG1-CG 4.29Å; V1036-Y1040 PolarHBondContact O-N 2.96Å; I1037-Y1040 PolarHBondContact O-N 2.76Å; Y1040-I1042 PolarHBondContact O-N 2.84Å; Y1040-I1042 VanDerWaalsContact O-N 3.07Å; Y1040-G1043 PolarHBondContact O-N 2.94Å; Y1040-S1044 WeakPolarHBondContact CD1-O 3.37Å; Y1040-S1044 PolarHBondContact N-O 3.23Å; Y1040-N1045 HydrophobicContact CE1-CB 4.1Å; Y1040-N1045 WeakPolarHBondContact CE1-ND2 3.38Å; Y1040-N1045 PolarHBondContact OH-ND2 2.97Å
1041Y79.6Confident86.3Confident141 Ų14120.1 Ų20.155%0.55310%0.1SC*.THydrogen-bonded Turntrans-56.3-24.4172.5179.8-100.5000113L339 I1037 L1038 L1039 F1108L339-Y1041 HydrophobicContact CD1-CD2 4.23Å; I1037-Y1041 PolarHBondContact O-N 3.07Å; I1037-Y1041 VanDerWaalsContact O-N 3.14Å; L1038-Y1041 WeakPolarHBondContact O-CB 3.23Å; L1039-Y1041 PolarHBondContact O-N 2.91Å; Y1041-F1108 HydrophobicContact CD1-CE1 4.36Å; Y1041-F1108 HydrophobicContact CD1-CZ 4.12Å
1042I79.1Confident86.2Confident25 Ų2521.2 Ų21.213%0.12811%0.106CC..THydrogen-bonded Turntrans-111.67.6178.970.5170.9000112.9L1039 Y1040 S1044 F1108 E1133L1039-I1042 HydrophobicContact CD2-CD1 4.44Å; L1039-I1042 CarbonylContact O-C 3.48Å; L1039-I1042 WeakPolarHBondContact O-CG1 3.39Å; L1039-I1042 PolarHBondContact O-N 3.11Å; Y1040-I1042 PolarHBondContact O-N 2.84Å; Y1040-I1042 VanDerWaalsContact O-N 3.07Å; I1042-S1044 VanDerWaalsContact C-N 3.3Å; I1042-S1044 PolarHBondContact O-N 3.22Å; I1042-F1108 HydrophobicContact CD1-CE2 4.48Å; I1042-F1108 HydrophobicContact CG2-CE2 4.02Å; I1042-F1108 HydrophobicContact CG2-CZ 3.56Å; I1042-E1133 HydrophobicContact CD1-CB 3.93Å; I1042-E1133 HydrophobicContact CD1-CG 4.34Å
1043G74.4Confident86.3Confident32 Ų3222.7 Ų22.733%0.3311%0.112SC..THydrogen-bonded Turntrans7021-174.200000114.5L1039 Y1040 E1128L1039-G1043 PolarHBondContact O-N 2.85Å; Y1040-G1043 PolarHBondContact O-N 2.94Å; G1043-E1128 WeakPolarHBondContact O-CG 3.12Å
1044S82.2Confident86.5Confident1 Ų122.5 Ų22.51%0.00711%0.111CC..  trans-106.9160.9177.4-1800000110.6L1039 Y1040 I1042 E1128 N1131L1039-S1044 CarbonylContact C-O 3.52Å; L1039-S1044 VanDerWaalsContact CB-O 3.23Å; L1039-S1044 WeakPolarHBondContact CB-O 3.32Å; L1039-S1044 PolarHBondContact O-N 3.1Å; L1039-S1044 VanDerWaalsContact O-O 3.04Å; Y1040-S1044 WeakPolarHBondContact CD1-O 3.37Å; Y1040-S1044 PolarHBondContact N-O 3.23Å; I1042-S1044 VanDerWaalsContact C-N 3.3Å; I1042-S1044 PolarHBondContact O-N 3.22Å; S1044-E1128 WeakPolarHBondContact CB-O 3.48Å; S1044-E1128 PolarHBondContact OG-O 2.75Å; S1044-N1131 VanDerWaalsContact CB-ND2 3.34Å; S1044-N1131 WeakPolarHBondContact CB-ND2 3.28Å; S1044-N1131 PolarHBondContact OG-ND2 3.47Å
1045N81Confident86.6Confident1 Ų119.9 Ų19.91%0.00510%0.1CC..  trans-130.7174.3166.1-153.7-12.9000111.1Y143 R353 D356 Y1040 L1129Y143-N1045 WeakPolarHBondContact OH-CB 3.26Å; Y143-N1045 PolarHBondContact OH-ND2 2.71Å; R353-N1045 PolarHBondContact NH1-ND2 3.25Å; R353-N1045 VanDerWaalsContact NH1-ND2 3.16Å; D356-N1045 PolarHBondContact OD2-ND2 3.13Å; Y1040-N1045 HydrophobicContact CE1-CB 4.1Å; Y1040-N1045 WeakPolarHBondContact CE1-ND2 3.38Å; Y1040-N1045 PolarHBondContact OH-ND2 2.97Å; N1045-L1129 HydrophobicContact CB-CD2 4.21Å; N1045-L1129 WeakPolarHBondContact O-CD2 3.46Å
1046I87.5Confident86.4Confident3 Ų322.1 Ų22.12%0.01511%0.112CC..  trans-71.5139.5168.1-63.3176.4000107.9Y143 V1036 L1039 Q1050 F1051Y143-I1046 WeakPolarHBondContact CE1-O 3.28Å; Y143-I1046 PolarHBondContact OH-O 3.06Å; V1036-I1046 HydrophobicContact CG2-CD1 4.18Å; L1039-I1046 HydrophobicContact CD1-CG1 3.68Å; I1046-Q1050 HydrophobicContact CG2-CB 3.48Å; I1046-Q1050 VanDerWaalsContact CG2-CB 3.48Å; I1046-F1051 HydrophobicContact CB-CD2 3.82Å; I1046-F1051 HydrophobicContact CB-CE2 3.43Å; I1046-F1051 VanDerWaalsContact CB-CE2 3.43Å; I1046-F1051 HydrophobicContact CB-CZ 3.83Å; I1046-F1051 HydrophobicContact CD1-CZ 4.38Å; I1046-F1051 HydrophobicContact CG2-CD1 4.45Å; I1046-F1051 HydrophobicContact CG2-CD2 3.57Å; I1046-F1051 HydrophobicContact CG2-CE2 3.75Å; I1046-F1051 HydrophobicContact CG2-CG 3.96Å; I1046-F1051 HydrophobicContact CG2-CZ 4.24Å; I1046-F1051 WeakPolarHBondContact O-CD2 3.33Å; I1046-F1051 VanDerWaalsContact O-CE2 3.26Å; I1046-F1051 WeakPolarHBondContact O-CE2 3.31Å
1047S87.2Confident86.6Confident2 Ų227.6 Ų27.61%0.01414%0.136CC..  trans-77.6160.3-178.270.10000113.1L1049 Q1050 F1051 F1194 E1195S1047-L1049 PolarHBondContact O-N 2.82Å; S1047-Q1050 WeakPolarHBondContact O-CA 3.37Å; S1047-Q1050 WeakPolarHBondContact O-CB 3.48Å; S1047-Q1050 PolarHBondContact O-N 3.28Å; S1047-Q1050 WeakPolarHBondContact OG-CG 3.23Å; S1047-Q1050 PolarHBondContact OG-NE2 3.24Å; S1047-F1051 WeakPolarHBondContact O-CD2 3.32Å; S1047-F1051 PolarHBondContact O-N 2.91Å; S1047-F1194 PolarHBondContact OG-O 2.79Å; S1047-E1195 WeakPolarHBondContact CB-OE2 3.47Å
1048D87.9Confident86.9Confident18 Ų1826 Ų2610%0.09613%0.128CC..Hα-helixtrans-55.3-48.4-174.9-169.7-4.4000112.5Y143 M145 Y146 Q1050 F1051 L1052Y143-D1048 HydrophobicContact CD1-CB 4Å; M145-D1048 WeakPolarHBondContact CB-OD2 3.36Å; M145-D1048 HydrophobicContact CE-CB 3.76Å; M145-D1048 WeakPolarHBondContact CE-OD2 3.38Å; M145-D1048 WeakPolarHBondContact CG-OD2 3.46Å; M145-D1048 PolarHBondContact N-OD2 3.18Å; Y146-D1048 WeakPolarHBondContact CB-OD1 3.36Å; Y146-D1048 PolarHBondContact N-OD1 3.05Å; D1048-Q1050 VanDerWaalsContact C-N 3.31Å; D1048-Q1050 PolarHBondContact O-N 3.28Å; D1048-F1051 PolarHBondContact O-N 2.81Å; D1048-L1052 PolarHBondContact O-N 2.85Å
1049L89.6Confident87.2Confident41 Ų4124.8 Ų24.822%0.21512%0.121CC..Hα-helixtrans-71.4-25.3178.9-157.9112.1000113.1S1047 F1053 L1193 F1194S1047-L1049 PolarHBondContact O-N 2.82Å; L1049-F1053 VanDerWaalsContact O-CB 3.3Å; L1049-F1053 WeakPolarHBondContact O-CB 3.24Å; L1049-F1053 PolarHBondContact O-N 3.47Å; L1049-L1193 HydrophobicContact CD2-CB 4.04Å; L1049-F1194 HydrophobicContact CD2-CB 4.43Å; L1049-F1194 HydrophobicContact CD2-CD1 3.88Å; L1049-F1194 HydrophobicContact CD2-CD2 3.19Å; L1049-F1194 HydrophobicContact CD2-CE1 3.87Å; L1049-F1194 HydrophobicContact CD2-CE2 3.16Å; L1049-F1194 HydrophobicContact CD2-CG 3.56Å; L1049-F1194 HydrophobicContact CD2-CZ 3.52Å
1050Q92.3Very high87.2Confident0 Ų026.4 Ų26.40%013%0.132CC..Hα-helixtrans-68.6-45.8171.8-71.8172.315.200110.7I1046 S1047 D1048 F1053 I1054 F1138 F1194I1046-Q1050 HydrophobicContact CG2-CB 3.48Å; I1046-Q1050 VanDerWaalsContact CG2-CB 3.48Å; S1047-Q1050 WeakPolarHBondContact O-CA 3.37Å; S1047-Q1050 WeakPolarHBondContact O-CB 3.48Å; S1047-Q1050 PolarHBondContact O-N 3.28Å; S1047-Q1050 WeakPolarHBondContact OG-CG 3.23Å; S1047-Q1050 PolarHBondContact OG-NE2 3.24Å; D1048-Q1050 VanDerWaalsContact C-N 3.31Å; D1048-Q1050 PolarHBondContact O-N 3.28Å; Q1050-F1053 PolarHBondContact O-N 3.38Å; Q1050-I1054 WeakPolarHBondContact O-CD1 3.45Å; Q1050-I1054 WeakPolarHBondContact O-CG1 3.38Å; Q1050-I1054 PolarHBondContact O-N 2.76Å; Q1050-F1138 HydrophobicContact CB-CD2 3.82Å; Q1050-F1138 HydrophobicContact CB-CE2 3.56Å; Q1050-F1138 HydrophobicContact CB-CZ 4.26Å; Q1050-F1138 HydrophobicContact CG-CD1 4.47Å; Q1050-F1138 HydrophobicContact CG-CD2 3.76Å; Q1050-F1138 HydrophobicContact CG-CE1 4.33Å; Q1050-F1138 HydrophobicContact CG-CE2 3.6Å; Q1050-F1138 HydrophobicContact CG-CG 4.2Å; Q1050-F1138 HydrophobicContact CG-CZ 3.9Å; Q1050-F1194 HydrophobicContact CG-CD1 4.02Å; Q1050-F1194 PolarHBondContact NE2-O 3.19Å
1051F89.8Confident87.8Confident10 Ų1027.6 Ų27.64%0.04414%0.14CC..Hα-helixtrans-57.9-49173.2-87.6-73.9000111.7Y143 Y146 Q1032 V1036 I1046 S1047 D1048 F1053 I1054 D1055Y143-F1051 AromaticContact CD1-CD2 3.99Å; Y143-F1051 HydrophobicContact CD1-CD2 3.99Å; Y143-F1051 HydrophobicContact CD1-CE2 4.39Å; Y143-F1051 AromaticContact CE1-CD2 3.43Å; Y143-F1051 HydrophobicContact CE1-CD2 3.43Å; Y143-F1051 VanDerWaalsContact CE1-CD2 3.43Å; Y143-F1051 AromaticContact CE1-CE2 3.57Å; Y143-F1051 HydrophobicContact CE1-CE2 3.57Å; Y143-F1051 HydrophobicContact CE2-CE2 4.4Å; Y143-F1051 AromaticContact CZ-CD2 3.97Å; Y143-F1051 AromaticContact CZ-CE2 3.58Å; Y146-F1051 HydrophobicContact CD2-CB 4.32Å; Y146-F1051 HydrophobicContact CG-CB 4.45Å; Q1032-F1051 HydrophobicContact CG-CE1 4.27Å; V1036-F1051 HydrophobicContact CG2-CZ 4.21Å; I1046-F1051 HydrophobicContact CB-CD2 3.82Å; I1046-F1051 HydrophobicContact CB-CE2 3.43Å; I1046-F1051 VanDerWaalsContact CB-CE2 3.43Å; I1046-F1051 HydrophobicContact CB-CZ 3.83Å; I1046-F1051 HydrophobicContact CD1-CZ 4.38Å; I1046-F1051 HydrophobicContact CG2-CD1 4.45Å; I1046-F1051 HydrophobicContact CG2-CD2 3.57Å; I1046-F1051 HydrophobicContact CG2-CE2 3.75Å; I1046-F1051 HydrophobicContact CG2-CG 3.96Å; I1046-F1051 HydrophobicContact CG2-CZ 4.24Å; I1046-F1051 WeakPolarHBondContact O-CD2 3.33Å; I1046-F1051 VanDerWaalsContact O-CE2 3.26Å; I1046-F1051 WeakPolarHBondContact O-CE2 3.31Å; S1047-F1051 WeakPolarHBondContact O-CD2 3.32Å; S1047-F1051 PolarHBondContact O-N 2.91Å; D1048-F1051 PolarHBondContact O-N 2.81Å; F1051-F1053 VanDerWaalsContact C-N 3.33Å; F1051-F1053 PolarHBondContact O-N 2.68Å; F1051-I1054 PolarHBondContact O-N 3.21Å; F1051-D1055 PolarHBondContact O-N 3.29Å
1052L90.4Very high88.5Confident23 Ų2320.9 Ų20.912%0.1211%0.114CC..Hα-helixtrans-59.1-42.8177.8-175.966.9000112.3Y146 C149 D1048 L1056Y146-L1052 HydrophobicContact CD2-CB 4.33Å; Y146-L1052 HydrophobicContact CD2-CD1 4.25Å; C149-L1052 HydrophobicContact CB-CD1 3.75Å; D1048-L1052 PolarHBondContact O-N 2.85Å; L1052-L1056 HydrophobicContact CD1-CB 4.2Å; L1052-L1056 HydrophobicContact CD1-CD2 4.01Å; L1052-L1056 VanDerWaalsContact O-CB 3.25Å; L1052-L1056 WeakPolarHBondContact O-CB 3.28Å; L1052-L1056 PolarHBondContact O-N 2.74Å
1053F92.4Very high89Confident35 Ų3519.8 Ų19.815%0.15411%0.109CC..Iπ-helixtrans-62.5-45.3176.7178.1-102.2000112.6L1049 Q1050 F1051 F1057 L1058 F1138 V1142 L1182 F1194L1049-F1053 VanDerWaalsContact O-CB 3.3Å; L1049-F1053 WeakPolarHBondContact O-CB 3.24Å; L1049-F1053 PolarHBondContact O-N 3.47Å; Q1050-F1053 PolarHBondContact O-N 3.38Å; F1051-F1053 VanDerWaalsContact C-N 3.33Å; F1051-F1053 PolarHBondContact O-N 2.68Å; F1053-F1057 HydrophobicContact CD2-CB 3.99Å; F1053-F1057 HydrophobicContact CD2-CD2 4.43Å; F1053-F1057 HydrophobicContact CD2-CG 4.46Å; F1053-F1057 HydrophobicContact CE2-CB 4.22Å; F1053-F1057 WeakPolarHBondContact O-CB 3.25Å; F1053-F1057 PolarHBondContact O-N 3.29Å; F1053-L1058 HydrophobicContact CE1-CD1 4.24Å; F1053-L1058 PolarHBondContact O-N 2.87Å; F1053-F1138 HydrophobicContact CD1-CZ 4.17Å; F1053-V1142 HydrophobicContact CE1-CG1 4.03Å; F1053-V1142 HydrophobicContact CE1-CG2 4.33Å; F1053-L1182 HydrophobicContact CD1-CD1 4.07Å; F1053-L1182 HydrophobicContact CE1-CD1 3.58Å; F1053-L1182 HydrophobicContact CE2-CD1 4.16Å; F1053-L1182 HydrophobicContact CZ-CD1 3.63Å; F1053-F1194 HydrophobicContact CB-CE1 3.52Å; F1053-F1194 HydrophobicContact CB-CZ 3.93Å; F1053-F1194 HydrophobicContact CD1-CE1 4.15Å; F1053-F1194 HydrophobicContact CD2-CE1 4.17Å; F1053-F1194 AromaticContact CD2-CZ 3.94Å; F1053-F1194 HydrophobicContact CD2-CZ 3.94Å; F1053-F1194 AromaticContact CG-CE1 3.68Å; F1053-F1194 HydrophobicContact CG-CE1 3.68Å; F1053-F1194 AromaticContact CG-CZ 3.93Å; F1053-F1194 HydrophobicContact CG-CZ 3.93Å
1054I93Very high89.8Confident1 Ų121.1 Ų21.11%0.00511%0.108CC..Iπ-helixtrans-60.2-58.2178.6-68163.9000109.5Q1050 F1051 L1058 I1059 F1138 V1142 Y1145Q1050-I1054 WeakPolarHBondContact O-CD1 3.45Å; Q1050-I1054 WeakPolarHBondContact O-CG1 3.38Å; Q1050-I1054 PolarHBondContact O-N 2.76Å; F1051-I1054 PolarHBondContact O-N 3.21Å; I1054-L1058 WeakPolarHBondContact O-CB 3.24Å; I1054-L1058 PolarHBondContact O-N 2.98Å; I1054-I1059 HydrophobicContact CG2-CG1 4.01Å; I1054-I1059 WeakPolarHBondContact O-CG1 3.27Å; I1054-I1059 PolarHBondContact O-N 3.35Å; I1054-F1138 HydrophobicContact CD1-CD2 4.13Å; I1054-F1138 HydrophobicContact CD1-CE2 3.98Å; I1054-F1138 HydrophobicContact CG1-CE2 4.12Å; I1054-V1142 HydrophobicContact CG1-CG2 4.48Å; I1054-Y1145 HydrophobicContact CB-CE2 4.28Å; I1054-Y1145 HydrophobicContact CD1-CE2 4Å; I1054-Y1145 HydrophobicContact CG1-CE2 3.86Å; I1054-Y1145 HydrophobicContact CG2-CD2 3.96Å; I1054-Y1145 HydrophobicContact CG2-CE2 3.43Å; I1054-Y1145 VanDerWaalsContact CG2-CE2 3.43Å
1055D90.4Very high90.3Very high6 Ų622.2 Ų22.23%0.03212%0.115CC..Iπ-helixtrans-73.8-46.3-169.1-8016.3000112.8Y146 F1051 T1060Y146-D1055 HydrophobicContact CE2-CB 3.91Å; Y146-D1055 PolarHBondContact OH-OD2 3.39Å; F1051-D1055 PolarHBondContact O-N 3.29Å; D1055-T1060 VanDerWaalsContact O-CB 3.27Å; D1055-T1060 WeakPolarHBondContact O-CB 3.02Å; D1055-T1060 PolarHBondContact O-N 2.94Å; D1055-T1060 PolarHBondContact O-OG1 2.95Å
1056L88.7Confident90.8Very high47 Ų4722.3 Ų22.325%0.24612%0.115CC..Iπ-helixtrans-84.1-47.5-172.7-176.358.2000112.5I153 L1052 T1060I153-L1056 HydrophobicContact CD1-CD1 3.55Å; I153-L1056 HydrophobicContact CD1-CD2 4.28Å; L1052-L1056 HydrophobicContact CD1-CB 4.2Å; L1052-L1056 HydrophobicContact CD1-CD2 4.01Å; L1052-L1056 VanDerWaalsContact O-CB 3.25Å; L1052-L1056 WeakPolarHBondContact O-CB 3.28Å; L1052-L1056 PolarHBondContact O-N 2.74Å; L1056-T1060 WeakPolarHBondContact O-CB 3.39Å
1057F90.9Very high90.7Very high115 Ų11522.3 Ų22.350%0.50412%0.116SC..Iπ-helixtrans-90.8-26.1-171.2-68.1-81000113.3F1053 T1061F1053-F1057 HydrophobicContact CD2-CB 3.99Å; F1053-F1057 HydrophobicContact CD2-CD2 4.43Å; F1053-F1057 HydrophobicContact CD2-CG 4.46Å; F1053-F1057 HydrophobicContact CE2-CB 4.22Å; F1053-F1057 WeakPolarHBondContact O-CB 3.25Å; F1053-F1057 PolarHBondContact O-N 3.29Å; F1057-T1061 WeakPolarHBondContact O-CB 3.5Å; F1057-T1061 WeakPolarHBondContact O-CG2 3.33Å; F1057-T1061 PolarHBondContact O-OG1 2.78Å
1058L93.5Very high91Very high1 Ų127 Ų271%0.00513%0.134CC..Iπ-helixtrans-105.5-62.7-177.4-161.8149.5000111.5F1053 I1054 T1061 L1062 V1142 Y1145 I1146F1053-L1058 HydrophobicContact CE1-CD1 4.24Å; F1053-L1058 PolarHBondContact O-N 2.87Å; I1054-L1058 WeakPolarHBondContact O-CB 3.24Å; I1054-L1058 PolarHBondContact O-N 2.98Å; L1058-T1061 PolarHBondContact O-OG1 2.86Å; L1058-L1062 HydrophobicContact CD2-CD1 3.68Å; L1058-L1062 HydrophobicContact CG-CD1 4.05Å; L1058-L1062 WeakPolarHBondContact O-CB 3.25Å; L1058-L1062 WeakPolarHBondContact O-CD1 3.19Å; L1058-L1062 WeakPolarHBondContact O-CG 3.19Å; L1058-L1062 PolarHBondContact O-N 2.81Å; L1058-V1142 HydrophobicContact CD1-CG1 3.61Å; L1058-Y1145 HydrophobicContact CD2-CD2 4.09Å; L1058-Y1145 HydrophobicContact CD2-CG 4.09Å; L1058-I1146 HydrophobicContact CD1-CD1 4.26Å; L1058-I1146 HydrophobicContact CD1-CG1 4.13Å; L1058-I1146 HydrophobicContact CD2-CG1 4.33Å; L1058-I1146 HydrophobicContact CG-CG1 4.41Å
1059I92.8Very high91.1Very high1 Ų126.2 Ų26.21%0.00513%0.13CC..Iπ-helixtrans-67.7-50.1-175-60.7-57.4000111.5F1024 M1025 Y1028 I1054 G1063 Y1145F1024-I1059 HydrophobicContact CE1-CG2 4.23Å; F1024-I1059 HydrophobicContact CE2-CD1 4.2Å; F1024-I1059 HydrophobicContact CZ-CD1 3.71Å; F1024-I1059 HydrophobicContact CZ-CG2 4.4Å; M1025-I1059 HydrophobicContact CE-CG2 4.39Å; M1025-I1059 HydrophobicContact SD-CG2 3.98Å; Y1028-I1059 HydrophobicContact CD1-CD1 4.16Å; Y1028-I1059 HydrophobicContact CD1-CG1 4.32Å; Y1028-I1059 HydrophobicContact CD1-CG2 3.66Å; Y1028-I1059 HydrophobicContact CD2-CD1 3.97Å; Y1028-I1059 HydrophobicContact CD2-CG1 3.87Å; Y1028-I1059 HydrophobicContact CE1-CG2 3.68Å; Y1028-I1059 HydrophobicContact CE2-CG1 4.27Å; Y1028-I1059 HydrophobicContact CE2-CG2 4.49Å; Y1028-I1059 HydrophobicContact CG-CD1 3.63Å; Y1028-I1059 HydrophobicContact CG-CG1 3.93Å; Y1028-I1059 HydrophobicContact CG-CG2 4.14Å; I1054-I1059 HydrophobicContact CG2-CG1 4.01Å; I1054-I1059 WeakPolarHBondContact O-CG1 3.27Å; I1054-I1059 PolarHBondContact O-N 3.35Å; I1059-G1063 WeakPolarHBondContact O-CA 3.13Å; I1059-G1063 PolarHBondContact O-N 2.76Å; I1059-Y1145 HydrophobicContact CD1-CD1 4.02Å; I1059-Y1145 HydrophobicContact CD1-CD2 4.44Å; I1059-Y1145 HydrophobicContact CD1-CG 3.86Å
1060T88.5Confident91.2Very high36 Ų3625.9 Ų25.922%0.22113%0.13CC..Iπ-helixtrans-63-47.8-179.1-61.50000110.8D1055 L1056 L1062 G1063 L1064D1055-T1060 VanDerWaalsContact O-CB 3.27Å; D1055-T1060 WeakPolarHBondContact O-CB 3.02Å; D1055-T1060 PolarHBondContact O-N 2.94Å; D1055-T1060 PolarHBondContact O-OG1 2.95Å; L1056-T1060 WeakPolarHBondContact O-CB 3.39Å; T1060-L1062 PolarHBondContact O-N 2.92Å; T1060-G1063 PolarHBondContact O-N 3.42Å; T1060-L1064 HydrophobicContact CG2-CD1 3.95Å; T1060-L1064 HydrophobicContact CG2-CG 4.35Å; T1060-L1064 WeakPolarHBondContact O-CB 3.37Å; T1060-L1064 WeakPolarHBondContact O-CG 3.42Å; T1060-L1064 PolarHBondContact O-N 3.47Å
1061T92.6Very high91.3Very high40 Ų4026.3 Ų26.325%0.24513%0.134CC..Hα-helixtrans-64.9-43.7-179.270.60000112.3F1057 L1058 L1064 T1065 N1171F1057-T1061 WeakPolarHBondContact O-CB 3.5Å; F1057-T1061 WeakPolarHBondContact O-CG2 3.33Å; F1057-T1061 PolarHBondContact O-OG1 2.78Å; L1058-T1061 PolarHBondContact O-OG1 2.86Å; T1061-L1064 PolarHBondContact O-N 3.48Å; T1061-T1065 PolarHBondContact O-N 3.32Å; T1061-T1065 PolarHBondContact O-OG1 2.96Å; T1061-N1171 WeakPolarHBondContact CB-ND2 3.32Å; T1061-N1171 PolarHBondContact O-ND2 2.79Å; T1061-N1171 PolarHBondContact OG1-ND2 3.37Å; T1061-N1171 VanDerWaalsContact OG1-ND2 3.09Å
1062L94.4Very high91.4Very high0 Ų029.9 Ų29.90%015%0.148CC..Hα-helixtrans-66.7-43.9177.4-70.9172.8000110.8F1024 L1058 T1060 L1064 T1065 F1066 I1146 A1149 F1168 N1171 L1172F1024-L1062 HydrophobicContact CE1-CB 4.41Å; F1024-L1062 HydrophobicContact CZ-CB 4.14Å; L1058-L1062 HydrophobicContact CD2-CD1 3.68Å; L1058-L1062 HydrophobicContact CG-CD1 4.05Å; L1058-L1062 WeakPolarHBondContact O-CB 3.25Å; L1058-L1062 WeakPolarHBondContact O-CD1 3.19Å; L1058-L1062 WeakPolarHBondContact O-CG 3.19Å; L1058-L1062 PolarHBondContact O-N 2.81Å; T1060-L1062 PolarHBondContact O-N 2.92Å; L1062-L1064 VanDerWaalsContact C-N 3.32Å; L1062-L1064 PolarHBondContact O-N 3.21Å; L1062-T1065 PolarHBondContact O-N 3.06Å; L1062-F1066 WeakPolarHBondContact O-CB 3.34Å; L1062-F1066 PolarHBondContact O-N 2.86Å; L1062-I1146 HydrophobicContact CD1-CG1 4.25Å; L1062-A1149 HydrophobicContact CB-CB 4.49Å; L1062-A1149 HydrophobicContact CD1-CB 4.16Å; L1062-F1168 HydrophobicContact CD2-CE2 4.08Å; L1062-N1171 PolarHBondContact N-ND2 3.47Å; L1062-L1172 HydrophobicContact CD2-CD2 3.71Å; L1062-L1172 HydrophobicContact CD2-CG 4.2Å
1063G90.3Very high91.3Very high2 Ų231.8 Ų31.82%0.02116%0.162CC..Hα-helixtrans-59.6-40.6177.300000112.6I1059 T1060I1059-G1063 WeakPolarHBondContact O-CA 3.13Å; I1059-G1063 PolarHBondContact O-N 2.76Å; T1060-G1063 PolarHBondContact O-N 3.42Å
1064L89.4Confident91.1Very high61 Ų6139.4 Ų39.432%0.31919%0.189SC..Hα-helixtrans-69-50.9175.4-68.5176.6000112V368 V372 T1060 T1061 L1062 F1066 G1067 Y1068V368-L1064 HydrophobicContact CG1-CD2 3.96Å; V372-L1064 HydrophobicContact CB-CD2 4.5Å; V372-L1064 HydrophobicContact CG2-CD2 3.63Å; T1060-L1064 HydrophobicContact CG2-CD1 3.95Å; T1060-L1064 HydrophobicContact CG2-CG 4.35Å; T1060-L1064 WeakPolarHBondContact O-CB 3.37Å; T1060-L1064 WeakPolarHBondContact O-CG 3.42Å; T1060-L1064 PolarHBondContact O-N 3.47Å; T1061-L1064 PolarHBondContact O-N 3.48Å; L1062-L1064 VanDerWaalsContact C-N 3.32Å; L1062-L1064 PolarHBondContact O-N 3.21Å; L1064-F1066 VanDerWaalsContact C-N 3.27Å; L1064-F1066 PolarHBondContact O-N 3.28Å; L1064-G1067 PolarHBondContact O-N 2.86Å; L1064-Y1068 WeakPolarHBondContact O-CD2 3.35Å
1065T93Very high90.9Very high24 Ų2439.9 Ų39.915%0.14719%0.192CC..Hα-helixtrans-71.6-22.7-176.955.20000112.8T1061 L1062 G1067 Y1068 N1165 F1168 N1171T1061-T1065 PolarHBondContact O-N 3.32Å; T1061-T1065 PolarHBondContact O-OG1 2.96Å; L1062-T1065 PolarHBondContact O-N 3.06Å; T1065-G1067 PolarHBondContact O-N 2.85Å; T1065-Y1068 PolarHBondContact O-N 3.3Å; T1065-N1165 PolarHBondContact O-ND2 3.45Å; T1065-F1168 WeakPolarHBondContact OG1-CD2 3.21Å; T1065-N1171 HydrophobicContact CG2-CB 4.3Å; T1065-N1171 PolarHBondContact OG1-ND2 2.97Å; T1065-N1171 VanDerWaalsContact OG1-ND2 3.12Å
1066F91.3Very high90.6Very high2 Ų240.3 Ų40.31%0.00920%0.195CC..Hα-helixtrans-53.9-37.7173.7-175.9-86.1000112.5T1017 A1021 L1062 L1064 Y1068 T1069 S1153 R1159 F1168T1017-F1066 HydrophobicContact CG2-CD1 4.12Å; T1017-F1066 HydrophobicContact CG2-CE1 4.23Å; A1021-F1066 HydrophobicContact CB-CD1 4.15Å; A1021-F1066 HydrophobicContact CB-CE1 4.11Å; L1062-F1066 WeakPolarHBondContact O-CB 3.34Å; L1062-F1066 PolarHBondContact O-N 2.86Å; L1064-F1066 VanDerWaalsContact C-N 3.27Å; L1064-F1066 PolarHBondContact O-N 3.28Å; F1066-Y1068 VanDerWaalsContact C-N 3.32Å; F1066-Y1068 PolarHBondContact O-N 3.13Å; F1066-T1069 PolarHBondContact O-OG1 2.82Å; F1066-S1153 VanDerWaalsContact CE2-CB 3.48Å; F1066-R1159 VanDerWaalsContact CE1-NH1 3.28Å; F1066-R1159 PolarHBondContact O-NH2 2.88Å; F1066-F1168 HydrophobicContact CB-CD2 4.36Å; F1066-F1168 HydrophobicContact CB-CE2 4.06Å; F1066-F1168 HydrophobicContact CD2-CE2 4.21Å; F1066-F1168 HydrophobicContact CD2-CZ 4.15Å
1067G87.4Confident90.3Very high3 Ų340.7 Ų40.73%0.03120%0.199CC..THydrogen-bonded Turntrans-73.1-14.6-176.100000116L376 L1064 T1065 T1069L376-G1067 VanDerWaalsContact CD1-C 3.41Å; L376-G1067 WeakPolarHBondContact CD1-O 3.23Å; L1064-G1067 PolarHBondContact O-N 2.86Å; T1065-G1067 PolarHBondContact O-N 2.85Å; G1067-T1069 PolarHBondContact O-N 3.27Å
1068Y91.4Very high89.6Confident100 Ų10040.6 Ų40.639%0.39220%0.2SC..THydrogen-bonded Turntrans-77.42.1-175.3-78.1-97.7000114.6L376 L1064 T1065 F1066 P1070 N1165 L1167L376-Y1068 HydrophobicContact CD1-CD1 4.12Å; L376-Y1068 HydrophobicContact CD1-CD2 3.58Å; L376-Y1068 HydrophobicContact CD1-CE1 4.26Å; L376-Y1068 HydrophobicContact CD1-CE2 3.73Å; L376-Y1068 HydrophobicContact CD1-CG 3.8Å; L376-Y1068 HydrophobicContact CD2-CD1 4.07Å; L376-Y1068 HydrophobicContact CD2-CE1 3.65Å; L376-Y1068 HydrophobicContact CD2-CE2 4.31Å; L1064-Y1068 WeakPolarHBondContact O-CD2 3.35Å; T1065-Y1068 PolarHBondContact O-N 3.3Å; F1066-Y1068 VanDerWaalsContact C-N 3.32Å; F1066-Y1068 PolarHBondContact O-N 3.13Å; Y1068-P1070 WeakPolarHBondContact O-CD 3.48Å; Y1068-N1165 WeakPolarHBondContact CB-ND2 3.49Å; Y1068-N1165 WeakPolarHBondContact CB-OD1 3.31Å; Y1068-L1167 HydrophobicContact CD1-CD1 3.9Å; Y1068-L1167 HydrophobicContact CE1-CD1 4.03Å; Y1068-L1167 HydrophobicContact CG-CD1 4.31Å
1069T91.6Very high89.2Confident3 Ų342.9 Ų42.92%0.01822%0.216CC..PPolyproline II helixtrans-74.2124.2-179.5-47.30000109.9C1013 F1066 G1067 R1159 R1160 N1165C1013-T1069 PolarHBondContact SG-O 2.85Å; C1013-T1069 VanDerWaalsContact SG-O 3.4Å; F1066-T1069 PolarHBondContact O-OG1 2.82Å; G1067-T1069 PolarHBondContact O-N 3.27Å; T1069-R1159 VanDerWaalsContact CB-NH2 3.34Å; T1069-R1159 HydrophobicContact CG2-CB 4.06Å; T1069-R1159 PolarHBondContact OG1-NH2 3.25Å; T1069-R1160 WeakPolarHBondContact CG2-O 3.21Å; T1069-N1165 PolarHBondContact N-ND2 2.88Å; T1069-N1165 PolarHBondContact OG1-ND2 2.94Å
1070P91.8Very high88.7Confident34 Ų3443.6 Ų43.622%0.22122%0.22CC..PPolyproline II helixtrans-75.4163.4-177.630.8-36.1000112.5Y1068 R1160Y1068-P1070 WeakPolarHBondContact O-CD 3.48Å; P1070-R1160 HydrophobicContact CG-CB 4.19Å; P1070-R1160 HydrophobicContact CG-CG 4.09Å; P1070-R1160 PolarHBondContact O-N 2.81Å
1071A93Very high88Confident9 Ų944.6 Ų44.67%0.07424%0.238CC..BIsolated β-bridgetrans-63.1148.7175.800000112.6R1009 E1010 C1013 R1160R1009-A1071 HydrophobicContact CB-CB 4.29Å; E1010-A1071 HydrophobicContact CG-CB 4.46Å; E1010-A1071 WeakPolarHBondContact OE1-CB 2.79Å; C1013-A1071 HydrophobicContact CB-CB 3.69Å; A1071-R1160 WeakPolarHBondContact O-CG 3.45Å; A1071-R1160 PolarHBondContact O-NE 2.8Å
1072Y92.6Very high87Confident84 Ų8444.4 Ų44.433%0.32923%0.234SC..PPolyproline II helixtrans-66.7136.9173.6-160.6-101000110.1R1009 R1074 A1156 P1157 Y1158R1009-Y1072 WeakPolarHBondContact CD-O 3.39Å; Y1072-R1074 VanDerWaalsContact C-N 3.3Å; Y1072-R1074 HydrophobicContact CD1-CB 4.15Å; Y1072-R1074 HydrophobicContact CE1-CB 4.12Å; Y1072-R1074 PolarHBondContact O-N 3.44Å; Y1072-A1156 HydrophobicContact CD2-CB 4.35Å; Y1072-A1156 HydrophobicContact CE2-CB 4.11Å; Y1072-P1157 VanDerWaalsContact CB-O 3.26Å; Y1072-P1157 WeakPolarHBondContact CB-O 3.31Å; Y1072-Y1158 PolarHBondContact N-O 2.81Å
1073P88.5Confident86Confident64 Ų6451.4 Ų51.442%0.41626%0.261SS..SBendtrans-65.4-30.3-171.623.4-33.7000113.7R1009R1009-P1073 VanDerWaalsContact CD-O 3.32Å; R1009-P1073 WeakPolarHBondContact CD-O 3.43Å; R1009-P1073 PolarHBondContact NH1-O 3.19Å
1074R88.1Confident85.1Confident194 Ų19451.6 Ų51.673%0.73226%0.262SS*.SBendtrans-95.3139.5177.4-65-174.9-178.8167.4-0.5111Y1072 S1076Y1072-R1074 VanDerWaalsContact C-N 3.3Å; Y1072-R1074 HydrophobicContact CD1-CB 4.15Å; Y1072-R1074 HydrophobicContact CE1-CB 4.12Å; Y1072-R1074 PolarHBondContact O-N 3.44Å; R1074-S1076 PolarHBondContact O-N 3.15Å
1075L88.5Confident84.2Confident12 Ų1251.8 Ų51.86%0.06327%0.265CS..PPolyproline II helixtrans-71.9125.2173.7-171.762.4000109.5T635 L636 A639 I641 P1005 I1008 R1009 R1012T635-L1075 HydrophobicContact CG2-CB 4.31Å; T635-L1075 HydrophobicContact CG2-CD2 4.38Å; L636-L1075 HydrophobicContact CD2-CD2 4.15Å; A639-L1075 HydrophobicContact CB-CB 4.21Å; A639-L1075 HydrophobicContact CB-CD2 3.4Å; A639-L1075 VanDerWaalsContact CB-CD2 3.4Å; A639-L1075 HydrophobicContact CB-CG 3.55Å; I641-L1075 HydrophobicContact CD1-CD2 3.89Å; P1005-L1075 HydrophobicContact CB-CD2 4.38Å; I1008-L1075 HydrophobicContact CB-CD1 4.07Å; I1008-L1075 HydrophobicContact CG2-CD1 3.63Å; R1009-L1075 HydrophobicContact CG-CB 4.23Å; R1009-L1075 HydrophobicContact CG-CD1 3.79Å; R1012-L1075 VanDerWaalsContact NH1-CD1 3.25Å
1076S84.3Confident83.3Confident14 Ų1452.4 Ų52.410%0.09827%0.27CS..PPolyproline II helixtrans-72.4160.4179.357.40000112.2A639 R1012 R1074 E1078 Y1158A639-S1076 WeakPolarHBondContact CB-O 3.34Å; R1012-S1076 VanDerWaalsContact NH1-C 3.31Å; R1012-S1076 PolarHBondContact NH1-O 3.05Å; R1012-S1076 PolarHBondContact NH1-OG 3.41Å; R1074-S1076 PolarHBondContact O-N 3.15Å; S1076-E1078 PolarHBondContact OG-O 3.46Å; S1076-Y1158 WeakPolarHBondContact OG-CD1 3.44Å; S1076-Y1158 WeakPolarHBondContact OG-CE1 3.31Å
1077V81.6Confident82.7Confident55 Ų5555.7 Ų55.733%0.33329%0.291SS..SBendtrans-81.4-41.4178-174.40000111.4Y638 A639 N640Y638-V1077 HydrophobicContact CE1-CG2 4.36Å; A639-V1077 VanDerWaalsContact O-O 3.07Å; N640-V1077 HydrophobicContact CB-CG1 3.95Å; N640-V1077 WeakPolarHBondContact ND2-CG1 3.23Å
1078E77.5Confident82.4Confident113 Ų11357 Ų5753%0.52830%0.298SS..SBendtrans-96.4125.1-179.6-66.7-174.5176.400110.6S1076 Y1158S1076-E1078 PolarHBondContact OG-O 3.46Å; E1078-Y1158 WeakPolarHBondContact O-CE1 3.37Å; E1078-Y1158 PolarHBondContact O-OH 2.92Å
1079P84.7Confident81.9Confident50 Ų5053.3 Ų53.333%0.32529%0.286SS..PPolyproline II helixtrans-68.7151172.328.4-33.3000111.3
1080P82.3Confident81.5Confident15 Ų1556.6 Ų56.610%0.09730%0.303CS..PPolyproline II helixtrans-63.5151.7171.526.4-31.6000111.5G398 V399 R1012 L1015 Y1158G398-P1080 WeakPolarHBondContact O-CD 3.38Å; V399-P1080 WeakPolarHBondContact CG1-O 3.49Å; R1012-P1080 HydrophobicContact CB-CG 4.3Å; R1012-P1080 HydrophobicContact CG-CG 4.1Å; L1015-P1080 HydrophobicContact CB-CG 4.46Å; L1015-P1080 HydrophobicContact CD2-CB 4.17Å; L1015-P1080 HydrophobicContact CD2-CG 3.77Å; P1080-Y1158 HydrophobicContact CB-CE1 4.38Å; P1080-Y1158 HydrophobicContact CB-CE2 4.23Å; P1080-Y1158 HydrophobicContact CG-CE1 4.3Å
1081G73.6Confident81.3Confident58 Ų5857.7 Ų57.760%0.59831%0.307SS*.PPolyproline II helixtrans-72.8138.9176.200000112.3F1019F1019-G1081 WeakPolarHBondContact CZ-O 3.25Å
1082M72.1Confident81.1Confident35 Ų3557.3 Ų57.317%0.17230%0.303CS..  trans-87.1-15.3177-63.6-17573.600115.1F312 V399 F960 L1015 F1019F312-M1082 HydrophobicContact CD2-CE 3.81Å; F312-M1082 HydrophobicContact CE2-CE 3.46Å; F312-M1082 VanDerWaalsContact CE2-CE 3.46Å; V399-M1082 HydrophobicContact CB-CG 4.09Å; V399-M1082 HydrophobicContact CB-SD 4.13Å; V399-M1082 HydrophobicContact CG1-CG 3.31Å; V399-M1082 HydrophobicContact CG1-SD 4Å; V399-M1082 HydrophobicContact CG2-CE 4.33Å; V399-M1082 HydrophobicContact CG2-CG 3.98Å; V399-M1082 HydrophobicContact CG2-SD 3.45Å; V399-M1082 WeakPolarHBondContact CG2-SD 3.44Å; F960-M1082 HydrophobicContact CE1-CE 4.25Å; F960-M1082 HydrophobicContact CE1-SD 3.69Å; F960-M1082 HydrophobicContact CE2-SD 4.14Å; F960-M1082 HydrophobicContact CZ-CE 4.42Å; F960-M1082 HydrophobicContact CZ-SD 3.42Å; F960-M1082 WeakPolarHBondContact CZ-SD 3.18Å; L1015-M1082 HydrophobicContact CD2-CG 4.46Å; F1019-M1082 VanDerWaalsContact CZ-C 3.48Å; F1019-M1082 WeakPolarHBondContact CZ-O 3.48Å
1083R73.7Confident80.9Confident148 Ų14853.8 Ų53.856%0.55829%0.29SS*.  trans-89.2115.4-176.5-64.6-173.3-171.3-177.73109.5V1085 S1086R1083-V1085 VanDerWaalsContact C-N 3.26Å; R1083-V1085 PolarHBondContact O-N 3.01Å; R1083-S1086 WeakPolarHBondContact O-CB 3.5Å; R1083-S1086 PolarHBondContact O-N 2.85Å
1084L70.8Confident80.9Confident6 Ų652.5 Ų52.53%0.03129%0.288CS..SBendtrans-64.8-36.1175.5-164.772.7000111.3F314 D317 S318 F321 F1019 F1022 S1086 T1089F314-L1084 HydrophobicContact CD2-CB 4.49Å; F314-L1084 HydrophobicContact CD2-CD1 4.4Å; F314-L1084 HydrophobicContact CE2-CB 4.46Å; F314-L1084 HydrophobicContact CE2-CD1 3.6Å; F314-L1084 HydrophobicContact CE2-CD2 4.49Å; F314-L1084 HydrophobicContact CE2-CG 4.41Å; F314-L1084 HydrophobicContact CZ-CD1 4.07Å; D317-L1084 HydrophobicContact CB-CB 4.02Å; S318-L1084 WeakPolarHBondContact OG-CD2 3.5Å; F321-L1084 HydrophobicContact CB-CD2 4.47Å; F1019-L1084 HydrophobicContact CD1-CD1 3.76Å; F1019-L1084 HydrophobicContact CE1-CB 4.27Å; F1019-L1084 HydrophobicContact CE1-CD1 3.84Å; F1019-L1084 HydrophobicContact CG-CD1 4.33Å; F1019-L1084 HydrophobicContact CZ-CD1 4.42Å; F1022-L1084 HydrophobicContact CB-CD1 4.11Å; F1022-L1084 HydrophobicContact CD1-CD1 3.47Å; F1022-L1084 VanDerWaalsContact CD1-CD1 3.47Å; F1022-L1084 HydrophobicContact CD1-CD2 3.52Å; F1022-L1084 HydrophobicContact CD1-CG 3.77Å; F1022-L1084 HydrophobicContact CD2-CD2 3.95Å; F1022-L1084 HydrophobicContact CE1-CD1 4Å; F1022-L1084 HydrophobicContact CE1-CD2 3.2Å; F1022-L1084 HydrophobicContact CE1-CG 3.74Å; F1022-L1084 HydrophobicContact CE2-CD2 3.68Å; F1022-L1084 HydrophobicContact CG-CD1 3.8Å; F1022-L1084 HydrophobicContact CG-CD2 3.87Å; F1022-L1084 HydrophobicContact CG-CG 4.35Å; F1022-L1084 HydrophobicContact CZ-CD2 3.28Å; F1022-L1084 HydrophobicContact CZ-CG 4.31Å; L1084-S1086 PolarHBondContact O-N 3.19Å; L1084-S1086 VanDerWaalsContact O-N 3.11Å; L1084-T1089 WeakPolarHBondContact O-CB 2.95Å; L1084-T1089 PolarHBondContact O-OG1 3.42Å
1085V71.2Confident81.1Confident64 Ų6445.6 Ų45.639%0.38827%0.266SS..SBendtrans-87.155.3174.7-166.50000110D317 R1083 L1090D317-V1085 HydrophobicContact CB-CG2 4.2Å; R1083-V1085 VanDerWaalsContact C-N 3.26Å; R1083-V1085 PolarHBondContact O-N 3.01Å; V1085-L1090 HydrophobicContact CG1-CD1 3.84Å; V1085-L1090 HydrophobicContact CG1-CD2 4.46Å; V1085-L1090 HydrophobicContact CG1-CG 4.41Å
1086S74.3Confident81.4Confident37 Ų3745.1 Ų45.126%0.25926%0.263SS..  trans-92.3151.5169.782.10000110.1R1083 L1084 V1088 T1089 L1090R1083-S1086 WeakPolarHBondContact O-CB 3.5Å; R1083-S1086 PolarHBondContact O-N 2.85Å; L1084-S1086 PolarHBondContact O-N 3.19Å; L1084-S1086 VanDerWaalsContact O-N 3.11Å; S1086-V1088 PolarHBondContact O-N 3.35Å; S1086-T1089 PolarHBondContact N-OG1 2.79Å; S1086-T1089 VanDerWaalsContact N-OG1 3.09Å; S1086-T1089 PolarHBondContact O-N 3.1Å; S1086-T1089 PolarHBondContact O-OG1 3.19Å; S1086-T1089 WeakPolarHBondContact OG-CB 3.4Å; S1086-T1089 VanDerWaalsContact OG-CG2 3.31Å; S1086-T1089 WeakPolarHBondContact OG-CG2 3.26Å; S1086-T1089 PolarHBondContact OG-N 3Å; S1086-T1089 VanDerWaalsContact OG-N 3.13Å; S1086-T1089 PolarHBondContact OG-OG1 3.05Å; S1086-L1090 WeakPolarHBondContact O-CB 3.3Å; S1086-L1090 WeakPolarHBondContact O-CG 3.48Å; S1086-L1090 PolarHBondContact O-N 3.48Å
1087T77.5Confident81.7Confident72 Ų7245.3 Ų45.344%0.44226%0.263SS..Hα-helixtrans-58.3-37178.6-46.30000112.3L1091 Q1239T1087-L1091 WeakPolarHBondContact O-CB 3.47Å; T1087-L1091 PolarHBondContact O-N 3.3Å; T1087-Q1239 PolarHBondContact OG1-NE2 3.04Å
1088V81.2Confident82.2Confident31 Ų3148 Ų4819%0.18828%0.275CS..Hα-helixtrans-68.9-42179.4-179.90000111.1S1086 S1092 V1226 R1232S1086-V1088 PolarHBondContact O-N 3.35Å; V1088-S1092 WeakPolarHBondContact O-CB 3.48Å; V1088-S1092 PolarHBondContact O-N 3.36Å; V1088-V1226 HydrophobicContact CG1-CG1 4.1Å; V1088-R1232 HydrophobicContact CG2-CG 4.35Å
1089T81.6Confident83Confident21 Ų2143.4 Ų43.413%0.12926%0.255CS..Hα-helixtrans-69-43.1178.848.50000111.6F1019 L1084 S1086 L1093F1019-T1089 HydrophobicContact CD1-CG2 4.4Å; L1084-T1089 WeakPolarHBondContact O-CB 2.95Å; L1084-T1089 PolarHBondContact O-OG1 3.42Å; S1086-T1089 PolarHBondContact N-OG1 2.79Å; S1086-T1089 VanDerWaalsContact N-OG1 3.09Å; S1086-T1089 PolarHBondContact O-N 3.1Å; S1086-T1089 PolarHBondContact O-OG1 3.19Å; S1086-T1089 WeakPolarHBondContact OG-CB 3.4Å; S1086-T1089 VanDerWaalsContact OG-CG2 3.31Å; S1086-T1089 WeakPolarHBondContact OG-CG2 3.26Å; S1086-T1089 PolarHBondContact OG-N 3Å; S1086-T1089 VanDerWaalsContact OG-N 3.13Å; S1086-T1089 PolarHBondContact OG-OG1 3.05Å; T1089-L1093 WeakPolarHBondContact O-CB 3.46Å; T1089-L1093 PolarHBondContact O-N 2.97Å
1090L83.3Confident83.5Confident72 Ų7241.1 Ų41.138%0.37724%0.24SC..Hα-helixtrans-62.7-43.5175.3-69.2178.5000112F321 V1085 S1086 G1094F321-L1090 HydrophobicContact CD2-CD2 4.09Å; F321-L1090 HydrophobicContact CE2-CD2 3.63Å; V1085-L1090 HydrophobicContact CG1-CD1 3.84Å; V1085-L1090 HydrophobicContact CG1-CD2 4.46Å; V1085-L1090 HydrophobicContact CG1-CG 4.41Å; S1086-L1090 WeakPolarHBondContact O-CB 3.3Å; S1086-L1090 WeakPolarHBondContact O-CG 3.48Å; S1086-L1090 PolarHBondContact O-N 3.48Å; L1090-G1094 PolarHBondContact O-N 2.95Å
1091L86.6Confident84Confident58 Ų5841 Ų4130%0.30424%0.242SC..Hα-helixtrans-69.6-43.6179.6-174.864.8000111.9T1087 G1094 L1095 F1231 I1235T1087-L1091 WeakPolarHBondContact O-CB 3.47Å; T1087-L1091 PolarHBondContact O-N 3.3Å; L1091-G1094 PolarHBondContact O-N 3Å; L1091-L1095 HydrophobicContact CD1-CD1 3.77Å; L1091-L1095 HydrophobicContact CD1-CD2 4.44Å; L1091-L1095 HydrophobicContact CD1-CG 3.86Å; L1091-L1095 HydrophobicContact CD2-CD1 4.45Å; L1091-L1095 HydrophobicContact CG-CD1 3.73Å; L1091-L1095 HydrophobicContact CG-CG 4.21Å; L1091-L1095 VanDerWaalsContact O-CB 3.28Å; L1091-L1095 WeakPolarHBondContact O-CB 3.45Å; L1091-L1095 VanDerWaalsContact O-CG 3.24Å; L1091-L1095 WeakPolarHBondContact O-CG 3.44Å; L1091-L1095 PolarHBondContact O-N 2.94Å; L1091-F1231 HydrophobicContact CD2-CE1 3.73Å; L1091-F1231 HydrophobicContact CD2-CZ 3.58Å; L1091-I1235 HydrophobicContact CD2-CD1 3.81Å
1092S88.9Confident85.1Confident0 Ų042 Ų420%024%0.236CC..Hα-helixtrans-54.9-53173.41560000110.7K1023 V1088 Q1096 E1223K1023-S1092 PolarHBondContact NZ-OG 3.38Å; V1088-S1092 WeakPolarHBondContact O-CB 3.48Å; V1088-S1092 PolarHBondContact O-N 3.36Å; S1092-Q1096 WeakPolarHBondContact O-CG 3.25Å; S1092-Q1096 PolarHBondContact O-N 2.98Å; S1092-E1223 WeakPolarHBondContact CB-OE2 3.44Å; S1092-E1223 PolarHBondContact OG-OE1 2.79Å; S1092-E1223 PolarHBondContact OG-OE2 3.02Å
1093L88.4Confident86.3Confident11 Ų1141.4 Ų41.46%0.05823%0.234CC..Hα-helixtrans-63.6-50.7178.8-179.670.7000111.5F321 V1026 T1089 L1095 Q1096 L1097 F1152F321-L1093 HydrophobicContact CE1-CD2 4.31Å; F321-L1093 HydrophobicContact CE2-CD2 4.1Å; F321-L1093 HydrophobicContact CZ-CD2 3.41Å; F321-L1093 VanDerWaalsContact CZ-CD2 3.41Å; V1026-L1093 HydrophobicContact CB-CD2 4.31Å; V1026-L1093 HydrophobicContact CG1-CD1 4.09Å; V1026-L1093 HydrophobicContact CG1-CD2 3.46Å; V1026-L1093 VanDerWaalsContact CG1-CD2 3.46Å; V1026-L1093 HydrophobicContact CG1-CG 4.33Å; T1089-L1093 WeakPolarHBondContact O-CB 3.46Å; T1089-L1093 PolarHBondContact O-N 2.97Å; L1093-L1095 VanDerWaalsContact C-N 3.34Å; L1093-L1095 PolarHBondContact O-N 3.24Å; L1093-Q1096 PolarHBondContact O-N 2.91Å; L1093-L1097 HydrophobicContact CD1-CD1 4.11Å; L1093-L1097 HydrophobicContact CD1-CG 4.13Å; L1093-L1097 HydrophobicContact CD2-CD1 4.32Å; L1093-L1097 HydrophobicContact CG-CD1 3.82Å; L1093-L1097 HydrophobicContact CG-CG 4.19Å; L1093-L1097 WeakPolarHBondContact O-CB 3.32Å; L1093-L1097 VanDerWaalsContact O-CG 3.25Å; L1093-L1097 WeakPolarHBondContact O-CG 3.49Å; L1093-L1097 PolarHBondContact O-N 2.85Å; L1093-F1152 HydrophobicContact CD1-CE2 4.31Å; L1093-F1152 HydrophobicContact CD1-CZ 4.14Å
1094G88.9Confident87.3Confident36 Ų3634.4 Ų34.437%0.37121%0.208SC..Hα-helixtrans-59.9-40.3-176.700000113.5L1090 L1091 L1097 L1098L1090-G1094 PolarHBondContact O-N 2.95Å; L1091-G1094 PolarHBondContact O-N 3Å; G1094-L1097 PolarHBondContact O-N 3.19Å; G1094-L1098 WeakPolarHBondContact O-CB 3.3Å; G1094-L1098 PolarHBondContact O-N 2.82Å
1095L92.9Very high88.5Confident50 Ų5039.7 Ų39.726%0.26223%0.231SC..Hα-helixtrans-69.6-38.7176.8-71174.5000112.4L1091 L1093 T1099 L1222 V1226L1091-L1095 HydrophobicContact CD1-CD1 3.77Å; L1091-L1095 HydrophobicContact CD1-CD2 4.44Å; L1091-L1095 HydrophobicContact CD1-CG 3.86Å; L1091-L1095 HydrophobicContact CD2-CD1 4.45Å; L1091-L1095 HydrophobicContact CG-CD1 3.73Å; L1091-L1095 HydrophobicContact CG-CG 4.21Å; L1091-L1095 VanDerWaalsContact O-CB 3.28Å; L1091-L1095 WeakPolarHBondContact O-CB 3.45Å; L1091-L1095 VanDerWaalsContact O-CG 3.24Å; L1091-L1095 WeakPolarHBondContact O-CG 3.44Å; L1091-L1095 PolarHBondContact O-N 2.94Å; L1093-L1095 VanDerWaalsContact C-N 3.34Å; L1093-L1095 PolarHBondContact O-N 3.24Å; L1095-T1099 WeakPolarHBondContact O-CB 3.37Å; L1095-T1099 PolarHBondContact O-N 2.86Å; L1095-T1099 PolarHBondContact O-OG1 2.93Å; L1095-L1222 HydrophobicContact CB-CD1 4.44Å; L1095-L1222 HydrophobicContact CB-CD2 3.87Å; L1095-L1222 HydrophobicContact CB-CG 4.29Å; L1095-L1222 HydrophobicContact CD1-CD1 4.24Å; L1095-V1226 HydrophobicContact CD1-CG2 3.87Å
1096Q93.7Very high89.7Confident1 Ų139.5 Ų39.51%0.00523%0.232CC..Hα-helixtrans-65-42.7173.8-67.1-64.8-17.800111.3S1092 L1093 T1099 C1100 L1148 F1152 G1219S1092-Q1096 WeakPolarHBondContact O-CG 3.25Å; S1092-Q1096 PolarHBondContact O-N 2.98Å; L1093-Q1096 PolarHBondContact O-N 2.91Å; Q1096-T1099 WeakPolarHBondContact O-CB 3.29Å; Q1096-T1099 PolarHBondContact O-N 2.94Å; Q1096-C1100 PolarHBondContact O-N 2.65Å; Q1096-L1148 HydrophobicContact CB-CD2 4.19Å; Q1096-F1152 HydrophobicContact CB-CZ 4.07Å; Q1096-F1152 HydrophobicContact CG-CE1 3.9Å; Q1096-F1152 HydrophobicContact CG-CZ 3.9Å; Q1096-G1219 PolarHBondContact NE2-O 2.93Å
1097L90.7Very high90.8Very high18 Ų1837.8 Ų37.89%0.09422%0.22CC..Hα-helixtrans-64.1-44.1177.6-70.5-178000112.5M1030 F1034 L1093 G1094 T1099 C1100 G1101M1030-L1097 HydrophobicContact CB-CD1 3.81Å; M1030-L1097 HydrophobicContact CB-CD2 3.4Å; M1030-L1097 VanDerWaalsContact CB-CD2 3.4Å; M1030-L1097 HydrophobicContact CB-CG 4.21Å; M1030-L1097 HydrophobicContact CG-CD1 3.72Å; M1030-L1097 HydrophobicContact CG-CD2 4.24Å; F1034-L1097 HydrophobicContact CE2-CB 4.5Å; L1093-L1097 HydrophobicContact CD1-CD1 4.11Å; L1093-L1097 HydrophobicContact CD1-CG 4.13Å; L1093-L1097 HydrophobicContact CD2-CD1 4.32Å; L1093-L1097 HydrophobicContact CG-CD1 3.82Å; L1093-L1097 HydrophobicContact CG-CG 4.19Å; L1093-L1097 WeakPolarHBondContact O-CB 3.32Å; L1093-L1097 VanDerWaalsContact O-CG 3.25Å; L1093-L1097 WeakPolarHBondContact O-CG 3.49Å; L1093-L1097 PolarHBondContact O-N 2.85Å; G1094-L1097 PolarHBondContact O-N 3.19Å; L1097-T1099 VanDerWaalsContact C-N 3.3Å; L1097-T1099 PolarHBondContact O-N 2.8Å; L1097-C1100 PolarHBondContact O-N 2.96Å; L1097-G1101 PolarHBondContact O-N 2.89Å
1098L92.4Very high91.6Very high111 Ų11134.7 Ų34.758%0.58120%0.201SC*.Hα-helixtrans-59.1-45174.4179.264.2000110.9G1094 G1101 V1102G1094-L1098 WeakPolarHBondContact O-CB 3.3Å; G1094-L1098 PolarHBondContact O-N 2.82Å; L1098-G1101 PolarHBondContact O-N 3.48Å; L1098-V1102 HydrophobicContact CD1-CG2 4.19Å; L1098-V1102 HydrophobicContact CG-CG2 4.49Å; L1098-V1102 WeakPolarHBondContact O-CB 3.22Å; L1098-V1102 VanDerWaalsContact O-CG2 3.25Å; L1098-V1102 WeakPolarHBondContact O-CG2 3.23Å; L1098-V1102 PolarHBondContact O-N 3.35Å
1099T94.7Very high92.3Very high18 Ų1835.8 Ų35.811%0.1121%0.207CC..Hα-helixtrans-59.7-50.8177.5-57.40000111L1095 Q1096 L1097 G1101 V1102 V1103 N1215 F1218L1095-T1099 WeakPolarHBondContact O-CB 3.37Å; L1095-T1099 PolarHBondContact O-N 2.86Å; L1095-T1099 PolarHBondContact O-OG1 2.93Å; Q1096-T1099 WeakPolarHBondContact O-CB 3.29Å; Q1096-T1099 PolarHBondContact O-N 2.94Å; L1097-T1099 VanDerWaalsContact C-N 3.3Å; L1097-T1099 PolarHBondContact O-N 2.8Å; T1099-G1101 PolarHBondContact O-N 3.32Å; T1099-V1102 PolarHBondContact O-N 3.39Å; T1099-V1103 VanDerWaalsContact O-CG2 3.3Å; T1099-V1103 WeakPolarHBondContact O-CG2 3.03Å; T1099-V1103 PolarHBondContact O-N 2.7Å; T1099-N1215 WeakPolarHBondContact CG2-OD1 3.4Å; T1099-F1218 HydrophobicContact CG2-CD1 3.54Å; T1099-F1218 HydrophobicContact CG2-CE1 3.77Å
1100C94.9Very high92.9Very high1 Ų137.5 Ų37.51%0.00721%0.213CC..Hα-helixtrans-62-43.1179.4-74.80000112.3I1031 Q1096 L1097 V1103 Q1104 Q1144I1031-C1100 HydrophobicContact CD1-CB 4.25Å; I1031-C1100 HydrophobicContact CG1-CB 3.89Å; Q1096-C1100 PolarHBondContact O-N 2.65Å; L1097-C1100 PolarHBondContact O-N 2.96Å; C1100-V1103 PolarHBondContact O-N 2.9Å; C1100-Q1104 WeakPolarHBondContact O-CG 3.38Å; C1100-Q1104 PolarHBondContact O-N 2.8Å; C1100-Q1144 PolarHBondContact O-NE2 3.32Å
1101G93.3Very high93.4Very high14 Ų1434.1 Ų34.114%0.14420%0.195CC..Hα-helixtrans-63.2-43.5177.500000112.7L1097 L1098 T1099 V1103 Q1104 F1105L1097-G1101 PolarHBondContact O-N 2.89Å; L1098-G1101 PolarHBondContact O-N 3.48Å; T1099-G1101 PolarHBondContact O-N 3.32Å; G1101-V1103 VanDerWaalsContact C-N 3.34Å; G1101-V1103 PolarHBondContact O-N 2.77Å; G1101-Q1104 PolarHBondContact O-N 3.24Å; G1101-F1105 WeakPolarHBondContact O-CB 3.11Å; G1101-F1105 PolarHBondContact O-N 3.2Å
1102V95.7Very high93.7Very high78 Ų7835.5 Ų35.547%0.47320%0.197SC..Hα-helixtrans-62.4-41.7175.1169.20000111.2L1098 T1099 S1106L1098-V1102 HydrophobicContact CD1-CG2 4.19Å; L1098-V1102 HydrophobicContact CG-CG2 4.49Å; L1098-V1102 WeakPolarHBondContact O-CB 3.22Å; L1098-V1102 VanDerWaalsContact O-CG2 3.25Å; L1098-V1102 WeakPolarHBondContact O-CG2 3.23Å; L1098-V1102 PolarHBondContact O-N 3.35Å; T1099-V1102 PolarHBondContact O-N 3.39Å; V1102-S1106 VanDerWaalsContact O-CB 3.26Å; V1102-S1106 WeakPolarHBondContact O-CB 3.31Å; V1102-S1106 PolarHBondContact O-N 2.87Å; V1102-S1106 PolarHBondContact O-OG 3.45Å
1103V96.9Very high93.9Very high23 Ų2341.7 Ų41.714%0.13923%0.229CC..Hα-helixtrans-65-44.6177.6169.70000111.3T1099 C1100 G1101 S1106 V1107 V1140 I1211 N1215T1099-V1103 VanDerWaalsContact O-CG2 3.3Å; T1099-V1103 WeakPolarHBondContact O-CG2 3.03Å; T1099-V1103 PolarHBondContact O-N 2.7Å; C1100-V1103 PolarHBondContact O-N 2.9Å; G1101-V1103 VanDerWaalsContact C-N 3.34Å; G1101-V1103 PolarHBondContact O-N 2.77Å; V1103-S1106 PolarHBondContact O-N 2.83Å; V1103-V1107 VanDerWaalsContact O-CG2 3.29Å; V1103-V1107 WeakPolarHBondContact O-CG2 3.18Å; V1103-V1107 PolarHBondContact O-N 3.42Å; V1103-V1140 HydrophobicContact CG1-CG1 3.94Å; V1103-I1211 HydrophobicContact CG1-CG2 3.78Å; V1103-N1215 HydrophobicContact CG2-CB 4.39Å
1104Q96.4Very high94.1Very high0 Ų042.8 Ų42.80%023%0.234CC..Hα-helixtrans-61.3-48.2176.3-73.7-175.2-5.900111.8I1031 S1035 L1038 C1100 G1101 S1106 V1107 F1108 S1141 Q1144I1031-Q1104 PolarHBondContact O-NE2 3.16Å; S1035-Q1104 PolarHBondContact OG-NE2 3.35Å; L1038-Q1104 HydrophobicContact CD1-CB 3.73Å; C1100-Q1104 WeakPolarHBondContact O-CG 3.38Å; C1100-Q1104 PolarHBondContact O-N 2.8Å; G1101-Q1104 PolarHBondContact O-N 3.24Å; Q1104-S1106 VanDerWaalsContact C-N 3.31Å; Q1104-S1106 PolarHBondContact O-N 3.41Å; Q1104-V1107 PolarHBondContact O-N 2.79Å; Q1104-F1108 WeakPolarHBondContact O-CB 3.11Å; Q1104-F1108 PolarHBondContact O-N 2.79Å; Q1104-S1141 PolarHBondContact NE2-OG 3.31Å; Q1104-S1141 VanDerWaalsContact NE2-OG 3.13Å; Q1104-Q1144 VanDerWaalsContact CG-OE1 3.27Å
1105F95.7Very high94.1Very high117 Ų11747.2 Ų47.251%0.51326%0.256SS..Hα-helixtrans-60-42.5176.9179.7-100.9000111.7L1038 G1101 V1107 F1108 V1109L1038-F1105 HydrophobicContact CD2-CD2 3.88Å; G1101-F1105 WeakPolarHBondContact O-CB 3.11Å; G1101-F1105 PolarHBondContact O-N 3.2Å; F1105-V1107 PolarHBondContact O-N 3.13Å; F1105-F1108 WeakPolarHBondContact O-CB 3.04Å; F1105-F1108 PolarHBondContact O-N 3.27Å; F1105-V1109 HydrophobicContact CD1-CG2 4.38Å; F1105-V1109 HydrophobicContact CE1-CG2 3.96Å; F1105-V1109 HydrophobicContact CE2-CG2 4.2Å; F1105-V1109 HydrophobicContact CZ-CG2 3.86Å; F1105-V1109 WeakPolarHBondContact O-CG2 3.36Å; F1105-V1109 PolarHBondContact O-N 2.9Å
1106S96.1Very high94Very high61 Ų6147.2 Ų47.243%0.42725%0.253SS..Hα-helixtrans-62.6-41.6177.7-59.70000111.8V1102 V1103 Q1104 F1110V1102-S1106 VanDerWaalsContact O-CB 3.26Å; V1102-S1106 WeakPolarHBondContact O-CB 3.31Å; V1102-S1106 PolarHBondContact O-N 2.87Å; V1102-S1106 PolarHBondContact O-OG 3.45Å; V1103-S1106 PolarHBondContact O-N 2.83Å; Q1104-S1106 VanDerWaalsContact C-N 3.31Å; Q1104-S1106 PolarHBondContact O-N 3.41Å; S1106-F1110 WeakPolarHBondContact O-CB 3.38Å; S1106-F1110 PolarHBondContact O-N 3.01Å
1107V96.8Very high93.8Very high0 Ų049.2 Ų49.20%026%0.26CS..Hα-helixtrans-68.9-39.8177.3168.30000111.3V1103 Q1104 F1105 F1110 T1111 A1136 V1140 L1208 I1211V1103-V1107 VanDerWaalsContact O-CG2 3.29Å; V1103-V1107 WeakPolarHBondContact O-CG2 3.18Å; V1103-V1107 PolarHBondContact O-N 3.42Å; Q1104-V1107 PolarHBondContact O-N 2.79Å; F1105-V1107 PolarHBondContact O-N 3.13Å; V1107-F1110 PolarHBondContact O-N 3.39Å; V1107-T1111 WeakPolarHBondContact O-CB 3.48Å; V1107-T1111 PolarHBondContact O-N 2.49Å; V1107-T1111 PolarHBondContact O-OG1 3.45Å; V1107-A1136 HydrophobicContact CG1-CB 3.93Å; V1107-V1140 HydrophobicContact CB-CG2 4.36Å; V1107-V1140 HydrophobicContact CG1-CG2 3.93Å; V1107-V1140 HydrophobicContact CG2-CG2 3.93Å; V1107-L1208 HydrophobicContact CG1-CD1 3.78Å; V1107-L1208 HydrophobicContact CG2-CD1 4.24Å; V1107-I1211 HydrophobicContact CG2-CD1 4.13Å; V1107-I1211 HydrophobicContact CG2-CG2 4.04Å
1108F94.8Very high93.3Very high8 Ų853 Ų534%0.03528%0.28CS..Hα-helixtrans-57.7-50.6174.5179.2-87.5000111L1038 Y1041 I1042 Q1104 F1105 R1112 E1133 V1137L1038-F1108 HydrophobicContact CB-CD2 4.43Å; L1038-F1108 WeakPolarHBondContact O-CE2 3.32Å; Y1041-F1108 HydrophobicContact CD1-CE1 4.36Å; Y1041-F1108 HydrophobicContact CD1-CZ 4.12Å; I1042-F1108 HydrophobicContact CD1-CE2 4.48Å; I1042-F1108 HydrophobicContact CG2-CE2 4.02Å; I1042-F1108 HydrophobicContact CG2-CZ 3.56Å; Q1104-F1108 WeakPolarHBondContact O-CB 3.11Å; Q1104-F1108 PolarHBondContact O-N 2.79Å; F1105-F1108 WeakPolarHBondContact O-CB 3.04Å; F1105-F1108 PolarHBondContact O-N 3.27Å; F1108-R1112 PolarHBondContact O-N 3.1Å; F1108-E1133 HydrophobicContact CD2-CB 3.89Å; F1108-E1133 HydrophobicContact CD2-CG 4.13Å; F1108-E1133 HydrophobicContact CE2-CB 3.75Å; F1108-E1133 HydrophobicContact CE2-CG 3.87Å; F1108-E1133 HydrophobicContact CZ-CG 4.41Å; F1108-V1137 HydrophobicContact CB-CG2 4.23Å; F1108-V1137 HydrophobicContact CD2-CG2 4.06Å
1109V94.9Very high92.6Very high54 Ų5451.1 Ų51.133%0.32727%0.274SS..Hα-helixtrans-65.2-44.8175.9175.10000111.3F1105 T1111 R1112 L1113F1105-V1109 HydrophobicContact CD1-CG2 4.38Å; F1105-V1109 HydrophobicContact CE1-CG2 3.96Å; F1105-V1109 HydrophobicContact CE2-CG2 4.2Å; F1105-V1109 HydrophobicContact CZ-CG2 3.86Å; F1105-V1109 WeakPolarHBondContact O-CG2 3.36Å; F1105-V1109 PolarHBondContact O-N 2.9Å; V1109-T1111 VanDerWaalsContact C-N 3.27Å; V1109-T1111 PolarHBondContact O-N 3.24Å; V1109-R1112 WeakPolarHBondContact O-CB 3.43Å; V1109-R1112 PolarHBondContact O-N 2.75Å; V1109-L1113 HydrophobicContact CG1-CD1 4.03Å; V1109-L1113 HydrophobicContact CG1-CG 4.32Å; V1109-L1113 WeakPolarHBondContact O-CG 3.47Å; V1109-L1113 PolarHBondContact O-N 2.77Å; V1109-L1113 VanDerWaalsContact O-N 3.08Å
1110F95.4Very high91.2Very high57 Ų5751.8 Ų51.825%0.2528%0.277CS..Hα-helixtrans-61-36.1-178.8179.7-115.4000112.6S1106 V1107 R1112 L1113 Q1114 F1204 I1207S1106-F1110 WeakPolarHBondContact O-CB 3.38Å; S1106-F1110 PolarHBondContact O-N 3.01Å; V1107-F1110 PolarHBondContact O-N 3.39Å; F1110-R1112 VanDerWaalsContact C-N 3.32Å; F1110-L1113 PolarHBondContact O-N 3.19Å; F1110-Q1114 WeakPolarHBondContact O-CG 2.89Å; F1110-Q1114 PolarHBondContact O-NE2 3.5Å; F1110-F1204 HydrophobicContact CD1-CD2 4.01Å; F1110-F1204 AromaticContact CD1-CE2 3.52Å; F1110-F1204 HydrophobicContact CD1-CE2 3.52Å; F1110-F1204 HydrophobicContact CD1-CZ 4.49Å; F1110-F1204 AromaticContact CE1-CD2 3.51Å; F1110-F1204 HydrophobicContact CE1-CD2 3.51Å; F1110-F1204 AromaticContact CE1-CE2 3.55Å; F1110-F1204 HydrophobicContact CE1-CE2 3.55Å; F1110-F1204 HydrophobicContact CZ-CD2 4.36Å; F1110-I1207 HydrophobicContact CE1-CG2 3.83Å; F1110-I1207 HydrophobicContact CZ-CD1 4.23Å; F1110-I1207 HydrophobicContact CZ-CG2 3.98Å
1111T94.2Very high89.6Confident0 Ų057.2 Ų57.20%030%0.301CS..Hα-helixtrans-62.2-40.6175-56.20000111V1107 V1109 L1113 Q1114 Y1117 A1136 F1204V1107-T1111 WeakPolarHBondContact O-CB 3.48Å; V1107-T1111 PolarHBondContact O-N 2.49Å; V1107-T1111 PolarHBondContact O-OG1 3.45Å; V1109-T1111 VanDerWaalsContact C-N 3.27Å; V1109-T1111 PolarHBondContact O-N 3.24Å; T1111-L1113 VanDerWaalsContact C-N 3.35Å; T1111-Q1114 WeakPolarHBondContact O-CB 3.2Å; T1111-Q1114 WeakPolarHBondContact O-CG 3.32Å; T1111-Q1114 PolarHBondContact O-N 2.87Å; T1111-Y1117 HydrophobicContact CG2-CD2 4.31Å; T1111-Y1117 WeakPolarHBondContact O-CB 3.3Å; T1111-A1136 HydrophobicContact CG2-CB 4.27Å; T1111-A1136 WeakPolarHBondContact OG1-CB 3.12Å; T1111-F1204 HydrophobicContact CG2-CZ 4.34Å; T1111-F1204 WeakPolarHBondContact OG1-CZ 3.45Å
1112R91.7Very high87.6Confident88 Ų8860.6 Ų60.633%0.33233%0.328SS..Hα-helixtrans-72-26.2178.3-68179.8161.6-145.7-16.3114F1108 V1109 F1110 Q1114 Y1117 E1133F1108-R1112 PolarHBondContact O-N 3.1Å; V1109-R1112 WeakPolarHBondContact O-CB 3.43Å; V1109-R1112 PolarHBondContact O-N 2.75Å; F1110-R1112 VanDerWaalsContact C-N 3.32Å; R1112-Q1114 PolarHBondContact O-N 2.89Å; R1112-Y1117 HydrophobicContact CB-CE1 4.4Å; R1112-Y1117 HydrophobicContact CG-CE1 4.16Å; R1112-Y1117 HydrophobicContact CG-CE2 4.03Å; R1112-E1133 HydrophobicContact CG-CG 4.32Å; R1112-E1133 IonicContact CZ-OE1 2.88Å; R1112-E1133 IonicContact NE-OE1 3.9Å; R1112-E1133 PolarHBondContact NE-OE1 3.44Å; R1112-E1133 IonicContact NH2-OE1 3.24Å; R1112-E1133 PolarHBondContact NH2-OE1 2.87Å
1113L93.3Very high85.6Confident130 Ų13065.9 Ų65.968%0.68134%0.34SS*.THydrogen-bonded Turntrans-77.6-6.7176.5-67.8174.8000113.1V1109 F1110 T1111V1109-L1113 HydrophobicContact CG1-CD1 4.03Å; V1109-L1113 HydrophobicContact CG1-CG 4.32Å; V1109-L1113 WeakPolarHBondContact O-CG 3.47Å; V1109-L1113 PolarHBondContact O-N 2.77Å; V1109-L1113 VanDerWaalsContact O-N 3.08Å; F1110-L1113 PolarHBondContact O-N 3.19Å; T1111-L1113 VanDerWaalsContact C-N 3.35Å
1114Q92.9Very high83.3Confident33 Ų3370.1 Ų70.115%0.15436%0.359CS..SBendtrans-74.3139.6-178.3-61.2-56.9-6200111.6F1110 T1111 R1112 W1116 Y1117 F1204F1110-Q1114 WeakPolarHBondContact O-CG 2.89Å; F1110-Q1114 PolarHBondContact O-NE2 3.5Å; T1111-Q1114 WeakPolarHBondContact O-CB 3.2Å; T1111-Q1114 WeakPolarHBondContact O-CG 3.32Å; T1111-Q1114 PolarHBondContact O-N 2.87Å; R1112-Q1114 PolarHBondContact O-N 2.89Å; Q1114-W1116 HydrophobicContact CB-CD2 3.89Å; Q1114-W1116 VanDerWaalsContact CB-CE2 3.47Å; Q1114-W1116 HydrophobicContact CB-CE3 4.44Å; Q1114-W1116 HydrophobicContact CB-CG 4.3Å; Q1114-W1116 HydrophobicContact CB-CH2 4.26Å; Q1114-W1116 HydrophobicContact CB-CZ2 3.71Å; Q1114-W1116 HydrophobicContact CG-CH2 4.09Å; Q1114-W1116 HydrophobicContact CG-CZ2 3.49Å; Q1114-W1116 VanDerWaalsContact CG-CZ2 3.49Å; Q1114-W1116 PolarHBondContact O-N 3.33Å; Q1114-W1116 VanDerWaalsContact O-N 3.16Å; Q1114-Y1117 WeakPolarHBondContact O-CB 3.41Å; Q1114-Y1117 PolarHBondContact O-N 2.61Å; Q1114-F1204 HydrophobicContact CG-CD2 3.78Å; Q1114-F1204 HydrophobicContact CG-CE2 3.94Å
1115P89.7Confident81.3Confident129 Ų12978.5 Ų78.584%0.83840%0.398SS*.THydrogen-bonded Turntrans-66.4-20.8-178.926.3-34.9000113.7
1116W90Very high79.1Confident51 Ų5179.1 Ų79.119%0.19341%0.406CS..THydrogen-bonded Turntrans-93.5-0.8177.352.1-99.9000113.1Q1114 L1118 Y1132 F1199 P1200 S1201 F1204Q1114-W1116 HydrophobicContact CB-CD2 3.89Å; Q1114-W1116 VanDerWaalsContact CB-CE2 3.47Å; Q1114-W1116 HydrophobicContact CB-CE3 4.44Å; Q1114-W1116 HydrophobicContact CB-CG 4.3Å; Q1114-W1116 HydrophobicContact CB-CH2 4.26Å; Q1114-W1116 HydrophobicContact CB-CZ2 3.71Å; Q1114-W1116 HydrophobicContact CG-CH2 4.09Å; Q1114-W1116 HydrophobicContact CG-CZ2 3.49Å; Q1114-W1116 VanDerWaalsContact CG-CZ2 3.49Å; Q1114-W1116 PolarHBondContact O-N 3.33Å; Q1114-W1116 VanDerWaalsContact O-N 3.16Å; W1116-L1118 PolarHBondContact O-N 3.16Å; W1116-Y1132 AromaticContact CZ3-CD1 3.92Å; W1116-Y1132 HydrophobicContact CZ3-CD1 3.92Å; W1116-Y1132 HydrophobicContact CZ3-CE1 4.13Å; W1116-Y1132 HydrophobicContact CZ3-CG 4.21Å; W1116-F1199 AromaticContact CH2-CD1 3.8Å; W1116-F1199 HydrophobicContact CH2-CD1 3.8Å; W1116-F1199 HydrophobicContact CZ3-CD1 4.25Å; W1116-P1200 HydrophobicContact CB-CG 3.81Å; W1116-P1200 HydrophobicContact CD2-CG 3.44Å; W1116-P1200 VanDerWaalsContact CD2-CG 3.44Å; W1116-P1200 HydrophobicContact CE3-CG 3.48Å; W1116-P1200 VanDerWaalsContact CE3-CG 3.48Å; W1116-P1200 HydrophobicContact CG-CG 3.6Å; W1116-P1200 HydrophobicContact CZ3-CG 4.28Å; W1116-S1201 VanDerWaalsContact NE1-CB 3.32Å; W1116-F1204 HydrophobicContact CH2-CD1 4.06Å; W1116-F1204 HydrophobicContact CH2-CD2 4.16Å; W1116-F1204 HydrophobicContact CH2-CE1 4.2Å; W1116-F1204 HydrophobicContact CH2-CE2 4.27Å; W1116-F1204 HydrophobicContact CH2-CG 4.05Å; W1116-F1204 HydrophobicContact CH2-CZ 4.3Å; W1116-F1204 HydrophobicContact CZ2-CB 3.72Å; W1116-F1204 AromaticContact CZ2-CD1 3.94Å; W1116-F1204 HydrophobicContact CZ2-CD1 3.94Å; W1116-F1204 AromaticContact CZ2-CD2 3.61Å; W1116-F1204 HydrophobicContact CZ2-CD2 3.61Å; W1116-F1204 HydrophobicContact CZ2-CE1 4.46Å; W1116-F1204 HydrophobicContact CZ2-CE2 4.15Å; W1116-F1204 AromaticContact CZ2-CG 3.48Å; W1116-F1204 HydrophobicContact CZ2-CG 3.48Å; W1116-F1204 VanDerWaalsContact CZ2-CG 3.48Å
1117Y89.1Confident76.9Confident43 Ų4381.1 Ų81.117%0.16941%0.405CS..  trans-64.6130.5180170.4-102.1000110.4T1111 R1112 Q1114 P1119 Y1132 E1133T1111-Y1117 HydrophobicContact CG2-CD2 4.31Å; T1111-Y1117 WeakPolarHBondContact O-CB 3.3Å; R1112-Y1117 HydrophobicContact CB-CE1 4.4Å; R1112-Y1117 HydrophobicContact CG-CE1 4.16Å; R1112-Y1117 HydrophobicContact CG-CE2 4.03Å; Q1114-Y1117 WeakPolarHBondContact O-CB 3.41Å; Q1114-Y1117 PolarHBondContact O-N 2.61Å; Y1117-P1119 HydrophobicContact CE1-CB 4.28Å; Y1117-Y1132 HydrophobicContact CD2-CD2 4.5Å; Y1117-E1133 VanDerWaalsContact CE2-CD 3.48Å; Y1117-E1133 HydrophobicContact CE2-CG 4.22Å; Y1117-E1133 WeakPolarHBondContact CE2-OE2 3.23Å; Y1117-E1133 PolarHBondContact OH-OE1 2.82Å
1118L80.7Confident75.3Confident97 Ų9784.9 Ų84.951%0.50842%0.423SS..  trans-125.6122.5176.1-153.380000108.9W1116 L1120 Y1132W1116-L1118 PolarHBondContact O-N 3.16Å; L1118-L1120 VanDerWaalsContact C-N 3.35Å; L1118-L1120 PolarHBondContact O-N 2.82Å; L1118-Y1132 HydrophobicContact CB-CE2 4.22Å
1119P77.6Confident74Confident71 Ų7187.2 Ų87.246%0.46144%0.435SS..  trans-71.690.4174.628.9-32.7000109.7Y1117 F1121 A1122Y1117-P1119 HydrophobicContact CE1-CB 4.28Å; P1119-F1121 VanDerWaalsContact C-N 3.29Å; P1119-F1121 PolarHBondContact O-N 2.82Å; P1119-A1122 PolarHBondContact O-N 3.02Å
1120L65.1Low73.3Confident33 Ų3387.1 Ų87.117%0.17343%0.43CS..G310 helixtrans-64.9-27.4-176.1-85.1141.1000113.8L1118 A1122 Y1123 Y1132L1118-L1120 VanDerWaalsContact C-N 3.35Å; L1118-L1120 PolarHBondContact O-N 2.82Å; L1120-A1122 PolarHBondContact O-N 2.88Å; L1120-A1122 VanDerWaalsContact O-N 3.09Å; L1120-Y1123 PolarHBondContact O-N 2.95Å; L1120-Y1123 VanDerWaalsContact O-N 3.09Å; L1120-Y1132 HydrophobicContact CD1-CD2 3.74Å; L1120-Y1132 HydrophobicContact CD1-CE2 3.65Å
1121F60.3Low72.9Confident114 Ų11484.5 Ų84.550%0.542%0.419SS..G310 helixtrans-57.3-25.6179.4-176.5-93.7000113.1P1119 Y1123 E1128P1119-F1121 VanDerWaalsContact C-N 3.29Å; P1119-F1121 PolarHBondContact O-N 2.82Å; F1121-Y1123 PolarHBondContact O-N 3.3Å; F1121-E1128 HydrophobicContact CE2-CG 4.13Å
1122A53.3Low72.7Confident86 Ų8686.4 Ų86.471%0.71143%0.427SS*.G310 helixtrans-74.3-6.8179.700000114.6P1119 L1120P1119-A1122 PolarHBondContact O-N 3.02Å; L1120-A1122 PolarHBondContact O-N 2.88Å; L1120-A1122 VanDerWaalsContact O-N 3.09Å
1123Y51.7Low72.6Confident188 Ų18882.5 Ų82.574%0.73741%0.412SS*.THydrogen-bonded Turntrans-106.8-32.2-166.4-119.5-86.8000115.7L1120 F1121L1120-Y1123 PolarHBondContact O-N 2.95Å; L1120-Y1123 VanDerWaalsContact O-N 3.09Å; F1121-Y1123 PolarHBondContact O-N 3.3Å
1124H50.5Low72.5Confident113 Ų11376.3 Ų76.352%0.52338%0.38SS..  trans-168.3144.8178-136.8-97.6000111.3D1126 Y1127H1124-D1126 IonicContact CE1-OD2 2.63Å; H1124-D1126 PolarHBondContact CE1-OD2 3.15Å; H1124-D1126 VanDerWaalsContact CE1-OD2 3.24Å; H1124-D1126 IonicContact ND1-OD2 3.53Å; H1124-D1126 PolarHBondContact ND1-OD2 2.91Å; H1124-D1126 PolarHBondContact O-N 3.43Å; H1124-Y1127 HydrophobicContact CB-CD2 3.59Å; H1124-Y1127 HydrophobicContact CB-CE2 3.99Å; H1124-Y1127 PolarHBondContact O-N 2.9Å; H1124-Y1127 VanDerWaalsContact O-N 3.11Å
1125E53.5Low72.5Confident176 Ų17675 Ų7582%0.82237%0.374SS*.G310 helixtrans-56.6-35.7173.8-72.3-180171.400112.1Y1127 E1128E1125-Y1127 PolarHBondContact O-N 3.02Å; E1125-E1128 VanDerWaalsContact O-CB 3.29Å; E1125-E1128 WeakPolarHBondContact O-CB 3.39Å; E1125-E1128 PolarHBondContact O-N 3.32Å
1126D48.4Very low72.7Confident130 Ų13068.8 Ų68.870%0.69533%0.334SS*.G310 helixtrans-60.6-12.6177.8-62.1-47.6000114.7H1124H1124-D1126 IonicContact CE1-OD2 2.63Å; H1124-D1126 PolarHBondContact CE1-OD2 3.15Å; H1124-D1126 VanDerWaalsContact CE1-OD2 3.24Å; H1124-D1126 IonicContact ND1-OD2 3.53Å; H1124-D1126 PolarHBondContact ND1-OD2 2.91Å; H1124-D1126 PolarHBondContact O-N 3.43Å
1127Y51.5Low72.9Confident103 Ų10366.4 Ų66.440%0.40433%0.325SS..G310 helixtrans-103.510177.8-64.4-74.2000113.5H1124 E1125 L1129 K1130H1124-Y1127 HydrophobicContact CB-CD2 3.59Å; H1124-Y1127 HydrophobicContact CB-CE2 3.99Å; H1124-Y1127 PolarHBondContact O-N 2.9Å; H1124-Y1127 VanDerWaalsContact O-N 3.11Å; E1125-Y1127 PolarHBondContact O-N 3.02Å; Y1127-L1129 VanDerWaalsContact C-N 3.27Å; Y1127-L1129 PolarHBondContact O-N 3.19Å; Y1127-K1130 HydrophobicContact CD1-CB 4.46Å; Y1127-K1130 CarbonylContact O-C 3.57Å; Y1127-K1130 PolarHBondContact O-N 3.28Å; Y1127-K1130 VanDerWaalsContact O-N 3.15Å
1128E61.9Low73.2Confident79 Ų7964.6 Ų64.637%0.36932%0.318SS..SBendtrans-52.3-44.3-179.6-173.3172.3-173.300112.1G1043 S1044 F1121 E1125 N1131G1043-E1128 WeakPolarHBondContact O-CG 3.12Å; S1044-E1128 WeakPolarHBondContact CB-O 3.48Å; S1044-E1128 PolarHBondContact OG-O 2.75Å; F1121-E1128 HydrophobicContact CE2-CG 4.13Å; E1125-E1128 VanDerWaalsContact O-CB 3.29Å; E1125-E1128 WeakPolarHBondContact O-CB 3.39Å; E1125-E1128 PolarHBondContact O-N 3.32Å; E1128-N1131 PolarHBondContact O-ND2 3.46Å; E1128-N1131 VanDerWaalsContact O-ND2 3.16Å
1129L68.2Low73.9Confident56 Ų5660 Ų6029%0.29329%0.294SS..SBendtrans-85.3-28.2179-68.4153.8000113.6N1045 Y1127 N1131 E1195N1045-L1129 HydrophobicContact CB-CD2 4.21Å; N1045-L1129 WeakPolarHBondContact O-CD2 3.46Å; Y1127-L1129 VanDerWaalsContact C-N 3.27Å; Y1127-L1129 PolarHBondContact O-N 3.19Å; L1129-N1131 PolarHBondContact O-N 2.82Å; L1129-E1195 VanDerWaalsContact CB-OE2 3.23Å; L1129-E1195 WeakPolarHBondContact CB-OE2 3.37Å
1130K79.9Confident74.8Confident52 Ų5256.7 Ų56.723%0.22627%0.273CS..  trans-99.286.3-171.7-178.4165.9-179.2-1750112.3Y1127 E1195 L1196 C1197Y1127-K1130 HydrophobicContact CD1-CB 4.46Å; Y1127-K1130 CarbonylContact O-C 3.57Å; Y1127-K1130 PolarHBondContact O-N 3.28Å; Y1127-K1130 VanDerWaalsContact O-N 3.15Å; K1130-E1195 HydrophobicContact CB-CB 4.39Å; K1130-E1195 VanDerWaalsContact CG-O 3.29Å; K1130-E1195 WeakPolarHBondContact CG-O 3.44Å; K1130-L1196 VanDerWaalsContact CE-O 3.32Å; K1130-L1196 WeakPolarHBondContact CE-O 3.42Å; K1130-C1197 VanDerWaalsContact CG-SG 3.59Å
1131N86.7Confident76.3Confident3 Ų355.2 Ų55.22%0.01627%0.265CS..  trans-136.2168.4178.157.363.6000112.7S1044 E1128 L1129 S1134 T1135S1044-N1131 VanDerWaalsContact CB-ND2 3.34Å; S1044-N1131 WeakPolarHBondContact CB-ND2 3.28Å; S1044-N1131 PolarHBondContact OG-ND2 3.47Å; E1128-N1131 PolarHBondContact O-ND2 3.46Å; E1128-N1131 VanDerWaalsContact O-ND2 3.16Å; L1129-N1131 PolarHBondContact O-N 2.82Å; N1131-S1134 WeakPolarHBondContact OD1-CA 3.35Å; N1131-S1134 WeakPolarHBondContact OD1-CB 3.49Å; N1131-S1134 PolarHBondContact OD1-N 2.99Å; N1131-T1135 PolarHBondContact O-N 3.24Å; N1131-T1135 VanDerWaalsContact O-N 3.15Å; N1131-T1135 PolarHBondContact O-OG1 3.47Å
1132Y90.3Very high78Confident40 Ų4049.9 Ų49.916%0.15724%0.241CC..Hα-helixtrans-69.1-37.2-176.5-73.5-65.7000112W1116 Y1117 L1118 L1120 T1135 A1136 C1197 F1199W1116-Y1132 AromaticContact CZ3-CD1 3.92Å; W1116-Y1132 HydrophobicContact CZ3-CD1 3.92Å; W1116-Y1132 HydrophobicContact CZ3-CE1 4.13Å; W1116-Y1132 HydrophobicContact CZ3-CG 4.21Å; Y1117-Y1132 HydrophobicContact CD2-CD2 4.5Å; L1118-Y1132 HydrophobicContact CB-CE2 4.22Å; L1120-Y1132 HydrophobicContact CD1-CD2 3.74Å; L1120-Y1132 HydrophobicContact CD1-CE2 3.65Å; Y1132-T1135 PolarHBondContact O-N 3.08Å; Y1132-A1136 WeakPolarHBondContact O-CB 3.42Å; Y1132-A1136 PolarHBondContact O-N 3.02Å; Y1132-C1197 HydrophobicContact CD1-CB 3.79Å; Y1132-C1197 HydrophobicContact CE1-CB 3.92Å; Y1132-C1197 HydrophobicContact CG-CB 4.49Å; Y1132-F1199 HydrophobicContact CD1-CD1 4.19Å; Y1132-F1199 HydrophobicContact CD1-CE1 4.34Å
1133E91Very high80.1Confident5 Ų546.6 Ų46.62%0.02321%0.211CC..Hα-helixtrans-66-48.9178.4-61100.3130.900112.1I1042 F1108 R1112 Y1117 T1135 A1136 V1137I1042-E1133 HydrophobicContact CD1-CB 3.93Å; I1042-E1133 HydrophobicContact CD1-CG 4.34Å; F1108-E1133 HydrophobicContact CD2-CB 3.89Å; F1108-E1133 HydrophobicContact CD2-CG 4.13Å; F1108-E1133 HydrophobicContact CE2-CB 3.75Å; F1108-E1133 HydrophobicContact CE2-CG 3.87Å; F1108-E1133 HydrophobicContact CZ-CG 4.41Å; R1112-E1133 HydrophobicContact CG-CG 4.32Å; R1112-E1133 IonicContact CZ-OE1 2.88Å; R1112-E1133 IonicContact NE-OE1 3.9Å; R1112-E1133 PolarHBondContact NE-OE1 3.44Å; R1112-E1133 IonicContact NH2-OE1 3.24Å; R1112-E1133 PolarHBondContact NH2-OE1 2.87Å; Y1117-E1133 VanDerWaalsContact CE2-CD 3.48Å; Y1117-E1133 HydrophobicContact CE2-CG 4.22Å; Y1117-E1133 WeakPolarHBondContact CE2-OE2 3.23Å; Y1117-E1133 PolarHBondContact OH-OE1 2.82Å; E1133-T1135 VanDerWaalsContact C-N 3.29Å; E1133-T1135 PolarHBondContact O-N 2.88Å; E1133-A1136 PolarHBondContact O-N 2.95Å; E1133-A1136 VanDerWaalsContact O-N 3.12Å; E1133-V1137 WeakPolarHBondContact O-CB 3.08Å; E1133-V1137 WeakPolarHBondContact O-CG2 3.19Å; E1133-V1137 PolarHBondContact O-N 3.04Å
1134S90.1Very high82.3Confident1 Ų137.7 Ų37.71%0.00718%0.176CC..Hα-helixtrans-54.5-47.7174.2178.60000110.5L1039 N1131 A1136 F1138L1039-S1134 VanDerWaalsContact CD2-CA 3.47Å; N1131-S1134 WeakPolarHBondContact OD1-CA 3.35Å; N1131-S1134 WeakPolarHBondContact OD1-CB 3.49Å; N1131-S1134 PolarHBondContact OD1-N 2.99Å; S1134-A1136 PolarHBondContact O-N 3.34Å; S1134-F1138 WeakPolarHBondContact O-CB 3.48Å; S1134-F1138 PolarHBondContact O-N 3.04Å
1135T92.8Very high84.4Confident4 Ų432.3 Ų32.33%0.02515%0.151CC..Hα-helixtrans-61.8-44.2176.7-54.10000112N1131 Y1132 E1133 S1139 L1196 C1197 F1199N1131-T1135 PolarHBondContact O-N 3.24Å; N1131-T1135 VanDerWaalsContact O-N 3.15Å; N1131-T1135 PolarHBondContact O-OG1 3.47Å; Y1132-T1135 PolarHBondContact O-N 3.08Å; E1133-T1135 VanDerWaalsContact C-N 3.29Å; E1133-T1135 PolarHBondContact O-N 2.88Å; T1135-S1139 WeakPolarHBondContact O-CB 3.34Å; T1135-S1139 PolarHBondContact O-N 2.88Å; T1135-S1139 PolarHBondContact O-OG 3.23Å; T1135-L1196 HydrophobicContact CG2-CB 4.27Å; T1135-L1196 HydrophobicContact CG2-CD2 4.07Å; T1135-C1197 WeakPolarHBondContact CG2-O 3.34Å; T1135-C1197 WeakPolarHBondContact OG1-CB 3.48Å; T1135-C1197 PolarHBondContact OG1-N 3.15Å; T1135-F1199 HydrophobicContact CG2-CE1 4.38Å; T1135-F1199 HydrophobicContact CG2-CE2 3.93Å; T1135-F1199 HydrophobicContact CG2-CZ 3.62Å
1136A94.4Very high86.5Confident0 Ų024.1 Ų24.10%011%0.113CC..Hα-helixtrans-69.4-43.8-178.100000112.6V1107 T1111 Y1132 E1133 S1134 S1139 V1140 F1199 F1204V1107-A1136 HydrophobicContact CG1-CB 3.93Å; T1111-A1136 HydrophobicContact CG2-CB 4.27Å; T1111-A1136 WeakPolarHBondContact OG1-CB 3.12Å; Y1132-A1136 WeakPolarHBondContact O-CB 3.42Å; Y1132-A1136 PolarHBondContact O-N 3.02Å; E1133-A1136 PolarHBondContact O-N 2.95Å; E1133-A1136 VanDerWaalsContact O-N 3.12Å; S1134-A1136 PolarHBondContact O-N 3.34Å; A1136-S1139 PolarHBondContact O-N 3.29Å; A1136-V1140 WeakPolarHBondContact O-CG2 3.39Å; A1136-V1140 PolarHBondContact O-N 3.06Å; A1136-V1140 VanDerWaalsContact O-N 3.09Å; A1136-F1199 HydrophobicContact CB-CE1 4.25Å; A1136-F1199 HydrophobicContact CB-CZ 4.01Å; A1136-F1204 HydrophobicContact CB-CZ 4.48Å
1137V95Very high88.7Confident1 Ų118.3 Ų18.31%0.0068%0.082CC..Hα-helixtrans-64.8-45.8176172.30000110F1108 E1133 V1140 S1141F1108-V1137 HydrophobicContact CB-CG2 4.23Å; F1108-V1137 HydrophobicContact CD2-CG2 4.06Å; E1133-V1137 WeakPolarHBondContact O-CB 3.08Å; E1133-V1137 WeakPolarHBondContact O-CG2 3.19Å; E1133-V1137 PolarHBondContact O-N 3.04Å; V1137-V1140 PolarHBondContact O-N 3.15Å; V1137-S1141 VanDerWaalsContact O-CB 3.29Å; V1137-S1141 WeakPolarHBondContact O-CB 3.13Å; V1137-S1141 PolarHBondContact O-N 2.86Å; V1137-S1141 PolarHBondContact O-OG 3.11Å
1138F95Very high90.8Very high5 Ų513.4 Ų13.42%0.0226%0.062CC..Hα-helixtrans-56.8-52.4174.4170.7-102.7000111.3Q1050 F1053 I1054 S1134 V1140 S1141 V1142 L1182 F1194 L1196Q1050-F1138 HydrophobicContact CB-CD2 3.82Å; Q1050-F1138 HydrophobicContact CB-CE2 3.56Å; Q1050-F1138 HydrophobicContact CB-CZ 4.26Å; Q1050-F1138 HydrophobicContact CG-CD1 4.47Å; Q1050-F1138 HydrophobicContact CG-CD2 3.76Å; Q1050-F1138 HydrophobicContact CG-CE1 4.33Å; Q1050-F1138 HydrophobicContact CG-CE2 3.6Å; Q1050-F1138 HydrophobicContact CG-CG 4.2Å; Q1050-F1138 HydrophobicContact CG-CZ 3.9Å; F1053-F1138 HydrophobicContact CD1-CZ 4.17Å; I1054-F1138 HydrophobicContact CD1-CD2 4.13Å; I1054-F1138 HydrophobicContact CD1-CE2 3.98Å; I1054-F1138 HydrophobicContact CG1-CE2 4.12Å; S1134-F1138 WeakPolarHBondContact O-CB 3.48Å; S1134-F1138 PolarHBondContact O-N 3.04Å; F1138-V1140 VanDerWaalsContact C-N 3.32Å; F1138-V1140 PolarHBondContact O-N 3.17Å; F1138-S1141 PolarHBondContact O-N 3.45Å; F1138-S1141 VanDerWaalsContact O-N 3.16Å; F1138-V1142 HydrophobicContact CD1-CG2 4.47Å; F1138-V1142 HydrophobicContact CD2-CG2 4.02Å; F1138-V1142 HydrophobicContact CE1-CG2 4.1Å; F1138-V1142 HydrophobicContact CE2-CG2 3.58Å; F1138-V1142 HydrophobicContact CG-CG2 4.44Å; F1138-V1142 HydrophobicContact CZ-CG2 3.63Å; F1138-V1142 WeakPolarHBondContact O-CG2 3.42Å; F1138-V1142 PolarHBondContact O-N 3.35Å; F1138-L1182 HydrophobicContact CE1-CD1 4.47Å; F1138-L1182 HydrophobicContact CZ-CD1 4.43Å; F1138-F1194 HydrophobicContact CE1-CD1 4.48Å; F1138-F1194 HydrophobicContact CZ-CD1 4.09Å; F1138-F1194 HydrophobicContact CZ-CE1 4.25Å; F1138-L1196 HydrophobicContact CD1-CD2 3.64Å; F1138-L1196 HydrophobicContact CE1-CD2 3.88Å
1139S94.8Very high92.3Very high1 Ų19.6 Ų9.61%0.0075%0.045CC..Hα-helixtrans-54-47.4179.3-79.10000112T1135 A1136 Y1143 T1183T1135-S1139 WeakPolarHBondContact O-CB 3.34Å; T1135-S1139 PolarHBondContact O-N 2.88Å; T1135-S1139 PolarHBondContact O-OG 3.23Å; A1136-S1139 PolarHBondContact O-N 3.29Å; S1139-Y1143 WeakPolarHBondContact O-CD2 3.37Å; S1139-T1183 PolarHBondContact OG-OG1 2.99Å
1140V96.6Very high93.6Very high1 Ų18.8 Ų8.81%0.0064%0.04CC..Hα-helixtrans-69.7-39.9179.4170.50000112.1V1103 V1107 A1136 V1137 F1138 V1142 Y1143 Q1144 L1208 V1212V1103-V1140 HydrophobicContact CG1-CG1 3.94Å; V1107-V1140 HydrophobicContact CB-CG2 4.36Å; V1107-V1140 HydrophobicContact CG1-CG2 3.93Å; V1107-V1140 HydrophobicContact CG2-CG2 3.93Å; A1136-V1140 WeakPolarHBondContact O-CG2 3.39Å; A1136-V1140 PolarHBondContact O-N 3.06Å; A1136-V1140 VanDerWaalsContact O-N 3.09Å; V1137-V1140 PolarHBondContact O-N 3.15Å; F1138-V1140 VanDerWaalsContact C-N 3.32Å; F1138-V1140 PolarHBondContact O-N 3.17Å; V1140-V1142 PolarHBondContact O-N 3.32Å; V1140-Y1143 PolarHBondContact O-N 2.9Å; V1140-Q1144 HydrophobicContact CG1-CG 4.14Å; V1140-Q1144 VanDerWaalsContact O-CG 3.32Å; V1140-Q1144 WeakPolarHBondContact O-CG 3.47Å; V1140-Q1144 PolarHBondContact O-N 3.14Å; V1140-L1208 HydrophobicContact CG2-CD1 3.45Å; V1140-L1208 VanDerWaalsContact CG2-CD1 3.45Å; V1140-L1208 HydrophobicContact CG2-CG 4.11Å; V1140-V1212 HydrophobicContact CG2-CG2 4.31Å
1141S96.1Very high94.2Very high1 Ų16.7 Ų6.71%0.0073%0.032CC..Hα-helixtrans-60.7-44.3179.8-56.50000111.5S1035 Q1104 V1137 F1138 Y1143 Q1144 Y1145S1035-S1141 PolarHBondContact OG-OG 2.9Å; Q1104-S1141 PolarHBondContact NE2-OG 3.31Å; Q1104-S1141 VanDerWaalsContact NE2-OG 3.13Å; V1137-S1141 VanDerWaalsContact O-CB 3.29Å; V1137-S1141 WeakPolarHBondContact O-CB 3.13Å; V1137-S1141 PolarHBondContact O-N 2.86Å; V1137-S1141 PolarHBondContact O-OG 3.11Å; F1138-S1141 PolarHBondContact O-N 3.45Å; F1138-S1141 VanDerWaalsContact O-N 3.16Å; S1141-Y1143 VanDerWaalsContact C-N 3.27Å; S1141-Y1143 PolarHBondContact O-N 3.45Å; S1141-Q1144 WeakPolarHBondContact O-CA 3.39Å; S1141-Q1144 WeakPolarHBondContact O-CB 3.4Å; S1141-Q1144 PolarHBondContact O-N 3.29Å; S1141-Y1145 WeakPolarHBondContact O-CD2 3.48Å; S1141-Y1145 WeakPolarHBondContact O-CE2 3.35Å; S1141-Y1145 VanDerWaalsContact O-CG 3.29Å; S1141-Y1145 PolarHBondContact O-N 2.91Å
1142V96.5Very high94.4Very high2 Ų26.6 Ų6.61%0.0123%0.031CC..Hα-helixtrans-55.4-42.7177.1171.20000111.3F1053 I1054 L1058 F1138 V1140 S1179F1053-V1142 HydrophobicContact CE1-CG1 4.03Å; F1053-V1142 HydrophobicContact CE1-CG2 4.33Å; I1054-V1142 HydrophobicContact CG1-CG2 4.48Å; L1058-V1142 HydrophobicContact CD1-CG1 3.61Å; F1138-V1142 HydrophobicContact CD1-CG2 4.47Å; F1138-V1142 HydrophobicContact CD2-CG2 4.02Å; F1138-V1142 HydrophobicContact CE1-CG2 4.1Å; F1138-V1142 HydrophobicContact CE2-CG2 3.58Å; F1138-V1142 HydrophobicContact CG-CG2 4.44Å; F1138-V1142 HydrophobicContact CZ-CG2 3.63Å; F1138-V1142 WeakPolarHBondContact O-CG2 3.42Å; F1138-V1142 PolarHBondContact O-N 3.35Å; V1140-V1142 PolarHBondContact O-N 3.32Å; V1142-S1179 WeakPolarHBondContact CG1-OG 3.39Å
1143Y97Very high94.3Very high18 Ų185 Ų57%0.0713%0.025CC..Hα-helixtrans-70.1-39.1173.7-68.9-69.4000113.3S1139 V1140 S1141 Y1145 I1146 I1147 S1179 L1180 T1183 H1209 V1212S1139-Y1143 WeakPolarHBondContact O-CD2 3.37Å; V1140-Y1143 PolarHBondContact O-N 2.9Å; S1141-Y1143 VanDerWaalsContact C-N 3.27Å; S1141-Y1143 PolarHBondContact O-N 3.45Å; Y1143-Y1145 VanDerWaalsContact C-N 3.27Å; Y1143-Y1145 PolarHBondContact O-N 3.34Å; Y1143-I1146 WeakPolarHBondContact O-CB 3.34Å; Y1143-I1146 PolarHBondContact O-N 2.92Å; Y1143-I1146 VanDerWaalsContact O-N 3.13Å; Y1143-I1147 VanDerWaalsContact O-CG1 3.25Å; Y1143-I1147 WeakPolarHBondContact O-CG1 3.39Å; Y1143-I1147 PolarHBondContact O-N 3.22Å; Y1143-S1179 VanDerWaalsContact OH-C 3.29Å; Y1143-S1179 PolarHBondContact OH-O 3.33Å; Y1143-L1180 WeakPolarHBondContact OH-CA 3.47Å; Y1143-L1180 PolarHBondContact OH-N 3.06Å; Y1143-T1183 HydrophobicContact CE2-CG2 4.37Å; Y1143-H1209 AromaticContact CZ-CE1 3.97Å; Y1143-H1209 AromaticContact CZ-ND1 3.91Å; Y1143-H1209 PolarHBondContact OH-CE1 3.35Å; Y1143-H1209 PolarHBondContact OH-ND1 3.35Å; Y1143-V1212 VanDerWaalsContact CB-CG1 3.43Å; Y1143-V1212 HydrophobicContact CD1-CG1 3.79Å; Y1143-V1212 HydrophobicContact CD2-CB 4.29Å; Y1143-V1212 HydrophobicContact CD2-CG1 3.9Å; Y1143-V1212 HydrophobicContact CD2-CG2 3.54Å; Y1143-V1212 HydrophobicContact CE1-CG1 4.5Å; Y1143-V1212 HydrophobicContact CE2-CG2 4.27Å; Y1143-V1212 HydrophobicContact CG-CB 4.31Å; Y1143-V1212 HydrophobicContact CG-CG1 3.45Å; Y1143-V1212 VanDerWaalsContact CG-CG1 3.45Å; Y1143-V1212 HydrophobicContact CG-CG2 3.92Å
1144Q97.3Very high93.8Very high1 Ų17.4 Ų7.41%0.0054%0.036CC..Hα-helixtrans-60.5-36.8178.9-73.1176.6-27.900112.2I1031 C1100 Q1104 V1140 S1141 I1147 L1148 N1215I1031-Q1144 HydrophobicContact CD1-CB 3.83Å; I1031-Q1144 HydrophobicContact CG2-CB 4.3Å; C1100-Q1144 PolarHBondContact O-NE2 3.32Å; Q1104-Q1144 VanDerWaalsContact CG-OE1 3.27Å; V1140-Q1144 HydrophobicContact CG1-CG 4.14Å; V1140-Q1144 VanDerWaalsContact O-CG 3.32Å; V1140-Q1144 WeakPolarHBondContact O-CG 3.47Å; V1140-Q1144 PolarHBondContact O-N 3.14Å; S1141-Q1144 WeakPolarHBondContact O-CA 3.39Å; S1141-Q1144 WeakPolarHBondContact O-CB 3.4Å; S1141-Q1144 PolarHBondContact O-N 3.29Å; Q1144-I1147 PolarHBondContact O-N 3.3Å; Q1144-L1148 WeakPolarHBondContact O-CG 3.21Å; Q1144-L1148 PolarHBondContact O-N 2.99Å; Q1144-N1215 WeakPolarHBondContact CG-ND2 3.12Å
1145Y96.2Very high93.4Very high0 Ų09.6 Ų9.60%05%0.051CC..Hα-helixtrans-60.9-45.8172.7-57.7-44.8000112.1F1024 Y1028 I1031 I1054 L1058 I1059 S1141 Y1143 I1147 L1148 A1149F1024-Y1145 WeakPolarHBondContact CE2-O 3.37Å; Y1028-Y1145 HydrophobicContact CD2-CE1 4.27Å; I1031-Y1145 HydrophobicContact CB-CD1 4.27Å; I1031-Y1145 HydrophobicContact CB-CE1 3.68Å; I1031-Y1145 HydrophobicContact CD1-CD1 4.15Å; I1031-Y1145 HydrophobicContact CD1-CE1 4.42Å; I1031-Y1145 HydrophobicContact CG2-CD1 3.96Å; I1031-Y1145 HydrophobicContact CG2-CE1 3.32Å; I1054-Y1145 HydrophobicContact CB-CE2 4.28Å; I1054-Y1145 HydrophobicContact CD1-CE2 4Å; I1054-Y1145 HydrophobicContact CG1-CE2 3.86Å; I1054-Y1145 HydrophobicContact CG2-CD2 3.96Å; I1054-Y1145 HydrophobicContact CG2-CE2 3.43Å; I1054-Y1145 VanDerWaalsContact CG2-CE2 3.43Å; L1058-Y1145 HydrophobicContact CD2-CD2 4.09Å; L1058-Y1145 HydrophobicContact CD2-CG 4.09Å; I1059-Y1145 HydrophobicContact CD1-CD1 4.02Å; I1059-Y1145 HydrophobicContact CD1-CD2 4.44Å; I1059-Y1145 HydrophobicContact CD1-CG 3.86Å; S1141-Y1145 WeakPolarHBondContact O-CD2 3.48Å; S1141-Y1145 WeakPolarHBondContact O-CE2 3.35Å; S1141-Y1145 VanDerWaalsContact O-CG 3.29Å; S1141-Y1145 PolarHBondContact O-N 2.91Å; Y1143-Y1145 VanDerWaalsContact C-N 3.27Å; Y1143-Y1145 PolarHBondContact O-N 3.34Å; Y1145-I1147 VanDerWaalsContact C-N 3.33Å; Y1145-I1147 PolarHBondContact O-N 2.84Å; Y1145-L1148 PolarHBondContact O-N 2.98Å; Y1145-A1149 PolarHBondContact O-N 2.69Å; Y1145-A1149 VanDerWaalsContact O-N 3.11Å
1146I96.4Very high92.9Very high4 Ų412.2 Ų12.22%0.0217%0.074CC..Hα-helixtrans-62.8-42.4176.1-60.5169.4000110.5L1058 L1062 Y1143 L1148 A1149 I1150 L1172 C1175 I1176 S1179L1058-I1146 HydrophobicContact CD1-CD1 4.26Å; L1058-I1146 HydrophobicContact CD1-CG1 4.13Å; L1058-I1146 HydrophobicContact CD2-CG1 4.33Å; L1058-I1146 HydrophobicContact CG-CG1 4.41Å; L1062-I1146 HydrophobicContact CD1-CG1 4.25Å; Y1143-I1146 WeakPolarHBondContact O-CB 3.34Å; Y1143-I1146 PolarHBondContact O-N 2.92Å; Y1143-I1146 VanDerWaalsContact O-N 3.13Å; I1146-L1148 PolarHBondContact O-N 3.13Å; I1146-A1149 WeakPolarHBondContact O-CB 3.41Å; I1146-A1149 PolarHBondContact O-N 3.01Å; I1146-I1150 HydrophobicContact CG2-CD1 4.04Å; I1146-I1150 WeakPolarHBondContact O-CG1 3.48Å; I1146-I1150 PolarHBondContact O-N 3.38Å; I1146-I1150 VanDerWaalsContact O-N 3.09Å; I1146-L1172 HydrophobicContact CG2-CD2 3.85Å; I1146-C1175 HydrophobicContact CD1-CB 3.84Å; I1146-C1175 HydrophobicContact CG1-CB 4.16Å; I1146-I1176 HydrophobicContact CD1-CG1 4.13Å; I1146-I1176 HydrophobicContact CG2-CD1 4.26Å; I1146-I1176 HydrophobicContact CG2-CG1 3.86Å; I1146-S1179 VanDerWaalsContact CD1-OG 3.32Å; I1146-S1179 WeakPolarHBondContact CD1-OG 3.43Å
1147I95.8Very high92.5Very high7 Ų715.2 Ų15.24%0.0369%0.093CC..Hα-helixtrans-58.9-48177.2-68.9165.3000110.3Y1143 Q1144 Y1145 A1149 I1150 V1151 V1212 N1215 L1216Y1143-I1147 VanDerWaalsContact O-CG1 3.25Å; Y1143-I1147 WeakPolarHBondContact O-CG1 3.39Å; Y1143-I1147 PolarHBondContact O-N 3.22Å; Q1144-I1147 PolarHBondContact O-N 3.3Å; Y1145-I1147 VanDerWaalsContact C-N 3.33Å; Y1145-I1147 PolarHBondContact O-N 2.84Å; I1147-A1149 VanDerWaalsContact C-N 3.32Å; I1147-A1149 PolarHBondContact O-N 2.88Å; I1147-I1150 PolarHBondContact O-N 3.44Å; I1147-I1150 VanDerWaalsContact O-N 3.14Å; I1147-V1151 HydrophobicContact CG2-CG2 3.91Å; I1147-V1151 WeakPolarHBondContact O-CB 3.4Å; I1147-V1151 VanDerWaalsContact O-CG2 3.28Å; I1147-V1151 WeakPolarHBondContact O-CG2 3.21Å; I1147-V1151 PolarHBondContact O-N 3.07Å; I1147-V1212 HydrophobicContact CD1-CG1 4.37Å; I1147-N1215 HydrophobicContact CD1-CB 4.17Å; I1147-L1216 HydrophobicContact CB-CD1 4.4Å; I1147-L1216 HydrophobicContact CD1-CB 4.02Å; I1147-L1216 HydrophobicContact CG1-CB 3.93Å; I1147-L1216 HydrophobicContact CG1-CD1 4Å; I1147-L1216 HydrophobicContact CG1-CG 4.5Å; I1147-L1216 HydrophobicContact CG2-CD1 4.1Å
1148L95.1Very high92.3Very high0 Ų017.2 Ų17.20%010%0.101CC..Hα-helixtrans-61.4-39.6178.1-71.9-167.2000112.7F1024 I1031 Q1096 Q1144 Y1145 I1146 I1150 V1151 F1152F1024-L1148 HydrophobicContact CD2-CB 4.04Å; F1024-L1148 HydrophobicContact CE2-CB 4.49Å; I1031-L1148 HydrophobicContact CD1-CD1 3.3Å; I1031-L1148 HydrophobicContact CD1-CG 3.79Å; I1031-L1148 HydrophobicContact CG1-CD1 4.35Å; Q1096-L1148 HydrophobicContact CB-CD2 4.19Å; Q1144-L1148 WeakPolarHBondContact O-CG 3.21Å; Q1144-L1148 PolarHBondContact O-N 2.99Å; Y1145-L1148 PolarHBondContact O-N 2.98Å; I1146-L1148 PolarHBondContact O-N 3.13Å; L1148-I1150 VanDerWaalsContact C-N 3.28Å; L1148-I1150 PolarHBondContact O-N 3.39Å; L1148-V1151 PolarHBondContact O-N 2.84Å; L1148-F1152 HydrophobicContact CB-CD2 4.25Å; L1148-F1152 HydrophobicContact CB-CE2 4.29Å; L1148-F1152 HydrophobicContact CD1-CE2 4.27Å; L1148-F1152 HydrophobicContact CD2-CD2 4.46Å; L1148-F1152 HydrophobicContact CD2-CE2 3.8Å; L1148-F1152 HydrophobicContact CD2-CZ 4.11Å; L1148-F1152 HydrophobicContact CG-CE2 4.36Å; L1148-F1152 WeakPolarHBondContact O-CB 3.47Å; L1148-F1152 WeakPolarHBondContact O-CD2 3.28Å; L1148-F1152 PolarHBondContact O-N 3.01Å
1149A94.3Very high92.2Very high0 Ų017 Ų170%010%0.1CC..Hα-helixtrans-60.6-38.7175.700000111.7F1024 L1062 Y1145 I1146 I1147 S1153 F1168F1024-A1149 HydrophobicContact CD2-CB 4.04Å; F1024-A1149 HydrophobicContact CE2-CB 3.76Å; F1024-A1149 HydrophobicContact CZ-CB 4.25Å; L1062-A1149 HydrophobicContact CB-CB 4.49Å; L1062-A1149 HydrophobicContact CD1-CB 4.16Å; Y1145-A1149 PolarHBondContact O-N 2.69Å; Y1145-A1149 VanDerWaalsContact O-N 3.11Å; I1146-A1149 WeakPolarHBondContact O-CB 3.41Å; I1146-A1149 PolarHBondContact O-N 3.01Å; I1147-A1149 VanDerWaalsContact C-N 3.32Å; I1147-A1149 PolarHBondContact O-N 2.88Å; A1149-S1153 VanDerWaalsContact O-CB 3.24Å; A1149-S1153 WeakPolarHBondContact O-CB 3.09Å; A1149-S1153 PolarHBondContact O-N 3.27Å; A1149-S1153 PolarHBondContact O-OG 3.38Å; A1149-F1168 HydrophobicContact CB-CZ 4.2Å
1150I93.6Very high92.1Very high38 Ų3822.4 Ų22.420%0.19512%0.12CC..Hα-helixtrans-72.4-48.5176.1-64.2167.4000111.1I1146 I1147 L1148 F1152 S1153 L1172 L1216I1146-I1150 HydrophobicContact CG2-CD1 4.04Å; I1146-I1150 WeakPolarHBondContact O-CG1 3.48Å; I1146-I1150 PolarHBondContact O-N 3.38Å; I1146-I1150 VanDerWaalsContact O-N 3.09Å; I1147-I1150 PolarHBondContact O-N 3.44Å; I1147-I1150 VanDerWaalsContact O-N 3.14Å; L1148-I1150 VanDerWaalsContact C-N 3.28Å; L1148-I1150 PolarHBondContact O-N 3.39Å; I1150-F1152 PolarHBondContact O-N 2.91Å; I1150-S1153 WeakPolarHBondContact CA-OG 3.16Å; I1150-S1153 PolarHBondContact O-N 3.23Å; I1150-S1153 PolarHBondContact O-OG 2.74Å; I1150-L1172 HydrophobicContact CD1-CD2 4.21Å; I1150-L1172 HydrophobicContact CG1-CD1 4.04Å; I1150-L1172 HydrophobicContact CG1-CD2 3.87Å; I1150-L1216 HydrophobicContact CD1-CD1 4.41Å; I1150-L1216 HydrophobicContact CG2-CD1 4.42Å
1151V92.5Very high91.8Very high8 Ų825.1 Ų25.15%0.04814%0.139CC..Hα-helixtrans-65.3-38.8-175.3170.40000111.6I1147 L1148 E1223I1147-V1151 HydrophobicContact CG2-CG2 3.91Å; I1147-V1151 WeakPolarHBondContact O-CB 3.4Å; I1147-V1151 VanDerWaalsContact O-CG2 3.28Å; I1147-V1151 WeakPolarHBondContact O-CG2 3.21Å; I1147-V1151 PolarHBondContact O-N 3.07Å; L1148-V1151 PolarHBondContact O-N 2.84Å; V1151-E1223 HydrophobicContact CG1-CB 3.53Å; V1151-E1223 HydrophobicContact CG1-CG 3.85Å
1152F91.8Very high91.5Very high2 Ų226.9 Ų26.91%0.00915%0.148CC..Hα-helixtrans-88-5.8179.6-62.1-37.1000114.6K1023 F1024 L1093 Q1096 L1148 I1150 K1154K1023-F1152 HydrophobicContact CB-CD1 4.35Å; K1023-F1152 HydrophobicContact CB-CD2 3.78Å; K1023-F1152 HydrophobicContact CB-CE2 3.96Å; K1023-F1152 HydrophobicContact CB-CG 3.98Å; K1023-F1152 HydrophobicContact CB-CZ 4.33Å; K1023-F1152 HydrophobicContact CD-CD1 4.01Å; K1023-F1152 HydrophobicContact CD-CE1 4.15Å; K1023-F1152 HydrophobicContact CD-CG 4.37Å; K1023-F1152 WeakPolarHBondContact O-CE2 3.07Å; F1024-F1152 HydrophobicContact CB-CD2 4.34Å; L1093-F1152 HydrophobicContact CD1-CE2 4.31Å; L1093-F1152 HydrophobicContact CD1-CZ 4.14Å; Q1096-F1152 HydrophobicContact CB-CZ 4.07Å; Q1096-F1152 HydrophobicContact CG-CE1 3.9Å; Q1096-F1152 HydrophobicContact CG-CZ 3.9Å; L1148-F1152 HydrophobicContact CB-CD2 4.25Å; L1148-F1152 HydrophobicContact CB-CE2 4.29Å; L1148-F1152 HydrophobicContact CD1-CE2 4.27Å; L1148-F1152 HydrophobicContact CD2-CD2 4.46Å; L1148-F1152 HydrophobicContact CD2-CE2 3.8Å; L1148-F1152 HydrophobicContact CD2-CZ 4.11Å; L1148-F1152 HydrophobicContact CG-CE2 4.36Å; L1148-F1152 WeakPolarHBondContact O-CB 3.47Å; L1148-F1152 WeakPolarHBondContact O-CD2 3.28Å; L1148-F1152 PolarHBondContact O-N 3.01Å; I1150-F1152 PolarHBondContact O-N 2.91Å; F1152-K1154 PolarHBondContact O-N 2.87Å
1153S88.8Confident91.2Very high5 Ų532.9 Ų32.94%0.03518%0.179CC..  trans-80.959.6174.649.20000112.5F1066 A1149 I1150 S1155 I1162F1066-S1153 VanDerWaalsContact CE2-CB 3.48Å; A1149-S1153 VanDerWaalsContact O-CB 3.24Å; A1149-S1153 WeakPolarHBondContact O-CB 3.09Å; A1149-S1153 PolarHBondContact O-N 3.27Å; A1149-S1153 PolarHBondContact O-OG 3.38Å; I1150-S1153 WeakPolarHBondContact CA-OG 3.16Å; I1150-S1153 PolarHBondContact O-N 3.23Å; I1150-S1153 PolarHBondContact O-OG 2.74Å; S1153-S1155 PolarHBondContact O-N 3.02Å; S1153-I1162 WeakPolarHBondContact O-CG1 3.37Å; S1153-I1162 WeakPolarHBondContact OG-CD1 3.39Å
1154K79Confident90.9Very high56 Ų5634 Ų3424%0.24319%0.19CC..  trans-56137.6177-62.2-179.8-167.8-168.70111.4F1152 R1159 E1223 D1227F1152-K1154 PolarHBondContact O-N 2.87Å; K1154-R1159 WeakPolarHBondContact O-CD 3.48Å; K1154-E1223 WeakPolarHBondContact CE-OE1 3.4Å; K1154-E1223 IonicContact NZ-OE1 2.79Å; K1154-E1223 PolarHBondContact NZ-OE1 2.72Å; K1154-D1227 WeakPolarHBondContact CD-OD2 3.19Å; K1154-D1227 WeakPolarHBondContact CE-OD2 3.21Å; K1154-D1227 IonicContact NZ-OD1 3.39Å; K1154-D1227 PolarHBondContact NZ-OD1 2.95Å; K1154-D1227 IonicContact NZ-OD2 2.69Å; K1154-D1227 PolarHBondContact NZ-OD2 2.85Å
1155S82.9Confident90.7Very high47 Ų4734.2 Ų34.233%0.32919%0.191SC..  trans-100.4-108.8-178.458.80000111.4S1153 Y1158 R1159 R1160S1153-S1155 PolarHBondContact O-N 3.02Å; S1155-Y1158 PolarHBondContact O-N 2.77Å; S1155-R1159 CarbonylContact C-O 3.52Å; S1155-R1159 PolarHBondContact O-N 2.9Å; S1155-R1160 WeakPolarHBondContact CB-O 3.36Å
1156A82.5Confident90.6Very high60 Ų6041 Ų4150%0.49622%0.223SC..THydrogen-bonded Turntrans-63146-177.700000110.8Y1072 R1159Y1072-A1156 HydrophobicContact CD2-CB 4.35Å; Y1072-A1156 HydrophobicContact CE2-CB 4.11Å; A1156-R1159 PolarHBondContact N-O 2.82Å; A1156-R1159 VanDerWaalsContact N-O 3.16Å
1157P86.1Confident90.4Very high62 Ų6245.8 Ų45.840%0.40325%0.248SC..THydrogen-bonded Turncis-95.41.811.337.7-37000115.3Y1072Y1072-P1157 VanDerWaalsContact CB-O 3.26Å; Y1072-P1157 WeakPolarHBondContact CB-O 3.31Å
1158Y90.5Very high90.4Very high43 Ų4345.5 Ų45.517%0.16925%0.246CC..THydrogen-bonded Turntrans-102.7-34.2-171.7-50.6-65.6000113.8R1012 T1016 Y1072 S1076 E1078 P1080 S1155R1012-Y1158 HydrophobicContact CB-CD1 3.91Å; R1012-Y1158 HydrophobicContact CG-CD1 4.32Å; T1016-Y1158 HydrophobicContact CG2-CD2 4.26Å; T1016-Y1158 WeakPolarHBondContact OG1-CD2 3.17Å; Y1072-Y1158 PolarHBondContact N-O 2.81Å; S1076-Y1158 WeakPolarHBondContact OG-CD1 3.44Å; S1076-Y1158 WeakPolarHBondContact OG-CE1 3.31Å; E1078-Y1158 WeakPolarHBondContact O-CE1 3.37Å; E1078-Y1158 PolarHBondContact O-OH 2.92Å; P1080-Y1158 HydrophobicContact CB-CE1 4.38Å; P1080-Y1158 HydrophobicContact CB-CE2 4.23Å; P1080-Y1158 HydrophobicContact CG-CE1 4.3Å; S1155-Y1158 PolarHBondContact O-N 2.77Å
1159R92.8Very high90.5Very high2 Ų247.1 Ų47.11%0.00826%0.256CS..BIsolated β-bridgetrans-116.9155.4-179.1-67.2170.963.5-174.72.3109.5T1017 F1066 T1069 K1154 S1155 A1156T1017-R1159 WeakPolarHBondContact OG1-CD 3.36Å; T1017-R1159 PolarHBondContact OG1-NE 2.91Å; F1066-R1159 VanDerWaalsContact CE1-NH1 3.28Å; F1066-R1159 PolarHBondContact O-NH2 2.88Å; T1069-R1159 VanDerWaalsContact CB-NH2 3.34Å; T1069-R1159 HydrophobicContact CG2-CB 4.06Å; T1069-R1159 PolarHBondContact OG1-NH2 3.25Å; K1154-R1159 WeakPolarHBondContact O-CD 3.48Å; S1155-R1159 CarbonylContact C-O 3.52Å; S1155-R1159 PolarHBondContact O-N 2.9Å; A1156-R1159 PolarHBondContact N-O 2.82Å; A1156-R1159 VanDerWaalsContact N-O 3.16Å
1160R92.1Very high90.6Very high114 Ų11451.8 Ų51.843%0.4328%0.284SS..  trans-70.3171167.9-65.1-162.9-170.7-173-4.3111.1T1069 P1070 A1071 S1155 S1164T1069-R1160 WeakPolarHBondContact CG2-O 3.21Å; P1070-R1160 HydrophobicContact CG-CB 4.19Å; P1070-R1160 HydrophobicContact CG-CG 4.09Å; P1070-R1160 PolarHBondContact O-N 2.81Å; A1071-R1160 WeakPolarHBondContact O-CG 3.45Å; A1071-R1160 PolarHBondContact O-NE 2.8Å; S1155-R1160 WeakPolarHBondContact CB-O 3.36Å; R1160-S1164 WeakPolarHBondContact CB-OG 3.43Å
1161S91Very high90.7Very high58 Ų5851.3 Ų51.341%0.40628%0.282SS..  trans-56.8149.9175.1178.10000111.4L1163 S1164S1161-L1163 PolarHBondContact O-N 2.89Å; S1161-L1163 VanDerWaalsContact O-N 3.12Å; S1161-L1163 PolarHBondContact OG-N 3.37Å; S1161-S1164 WeakPolarHBondContact O-CB 3.5Å; S1161-S1164 PolarHBondContact O-N 2.83Å; S1161-S1164 PolarHBondContact O-OG 3.23Å
1162I89.2Confident90.9Very high38 Ų3851.6 Ų51.620%0.19528%0.283CS..G310 helixtrans-51-36.6173.3-57.9169.9000110.6S1153 S1164 N1165 F1168 V1169 L1172S1153-I1162 WeakPolarHBondContact O-CG1 3.37Å; S1153-I1162 WeakPolarHBondContact OG-CD1 3.39Å; I1162-S1164 PolarHBondContact O-N 3.3Å; I1162-N1165 WeakPolarHBondContact O-CB 3.34Å; I1162-N1165 PolarHBondContact O-N 3.24Å; I1162-F1168 HydrophobicContact CG2-CD1 3.52Å; I1162-F1168 HydrophobicContact CG2-CE1 3.59Å; I1162-V1169 HydrophobicContact CG2-CG2 4.45Å; I1162-V1169 WeakPolarHBondContact O-CG2 3.44Å; I1162-L1172 HydrophobicContact CG2-CD1 4.4Å
1163L89.7Confident91.1Very high127 Ų12756.7 Ų56.767%0.66531%0.309SS*.G310 helixtrans-64.7-20.3179.2-62175.7000114.4S1161 V1169S1161-L1163 PolarHBondContact O-N 2.89Å; S1161-L1163 VanDerWaalsContact O-N 3.12Å; S1161-L1163 PolarHBondContact OG-N 3.37Å; L1163-V1169 HydrophobicContact CD2-CG2 4.33Å
1164S91.1Very high91.5Very high42 Ų4259.2 Ų59.229%0.29433%0.33SS..G310 helixtrans-75.6-15.6174.270.20000113R1160 S1161 I1162 H1166R1160-S1164 WeakPolarHBondContact CB-OG 3.43Å; S1161-S1164 WeakPolarHBondContact O-CB 3.5Å; S1161-S1164 PolarHBondContact O-N 2.83Å; S1161-S1164 PolarHBondContact O-OG 3.23Å; I1162-S1164 PolarHBondContact O-N 3.3Å; S1164-H1166 PolarHBondContact O-N 3.12Å
1165N93Very high92.3Very high6 Ų657 Ų573%0.03232%0.322CS..  trans-97.983.6176.7-174.9-7.9000109.4T1065 Y1068 T1069 I1162 L1167 F1168 V1169T1065-N1165 PolarHBondContact O-ND2 3.45Å; Y1068-N1165 WeakPolarHBondContact CB-ND2 3.49Å; Y1068-N1165 WeakPolarHBondContact CB-OD1 3.31Å; T1069-N1165 PolarHBondContact N-ND2 2.88Å; T1069-N1165 PolarHBondContact OG1-ND2 2.94Å; I1162-N1165 WeakPolarHBondContact O-CB 3.34Å; I1162-N1165 PolarHBondContact O-N 3.24Å; N1165-L1167 VanDerWaalsContact C-N 3.25Å; N1165-L1167 PolarHBondContact O-N 2.85Å; N1165-F1168 HydrophobicContact CB-CB 4.04Å; N1165-F1168 WeakPolarHBondContact ND2-CB 3.22Å; N1165-F1168 PolarHBondContact O-N 3.32Å; N1165-F1168 PolarHBondContact OD1-N 3.35Å; N1165-F1168 VanDerWaalsContact OD1-N 3.12Å; N1165-V1169 WeakPolarHBondContact O-CG2 3.49Å; N1165-V1169 PolarHBondContact O-N 2.87Å
1166H93.9Very high93Very high143 Ų14358.2 Ų58.266%0.66232%0.324SS*.Hα-helixtrans-58-37.6-177.4-61.8-55000112.7S1164 V1169 V1170S1164-H1166 PolarHBondContact O-N 3.12Å; H1166-V1169 PolarHBondContact O-N 3.24Å; H1166-V1170 WeakPolarHBondContact O-CB 3.44Å; H1166-V1170 VanDerWaalsContact O-CG2 3.27Å; H1166-V1170 WeakPolarHBondContact O-CG2 3.42Å; H1166-V1170 PolarHBondContact O-N 3.04Å
1167L93.9Very high93.6Very high104 Ų10458 Ų5855%0.54532%0.322SS..Hα-helixtrans-63.1-44.6177.9-70.3172.8000111.9Y1068 N1165 N1171Y1068-L1167 HydrophobicContact CD1-CD1 3.9Å; Y1068-L1167 HydrophobicContact CE1-CD1 4.03Å; Y1068-L1167 HydrophobicContact CG-CD1 4.31Å; N1165-L1167 VanDerWaalsContact C-N 3.25Å; N1165-L1167 PolarHBondContact O-N 2.85Å; L1167-N1171 WeakPolarHBondContact O-CB 3.45Å; L1167-N1171 PolarHBondContact O-N 3.29Å
1168F94.9Very high93.9Very high1 Ų156.2 Ų56.20%0.00432%0.315CS..Hα-helixtrans-67.8-39177-176.7-110.6000112.4L1062 T1065 F1066 A1149 I1162 N1165 N1171 L1172L1062-F1168 HydrophobicContact CD2-CE2 4.08Å; T1065-F1168 WeakPolarHBondContact OG1-CD2 3.21Å; F1066-F1168 HydrophobicContact CB-CD2 4.36Å; F1066-F1168 HydrophobicContact CB-CE2 4.06Å; F1066-F1168 HydrophobicContact CD2-CE2 4.21Å; F1066-F1168 HydrophobicContact CD2-CZ 4.15Å; A1149-F1168 HydrophobicContact CB-CZ 4.2Å; I1162-F1168 HydrophobicContact CG2-CD1 3.52Å; I1162-F1168 HydrophobicContact CG2-CE1 3.59Å; N1165-F1168 HydrophobicContact CB-CB 4.04Å; N1165-F1168 WeakPolarHBondContact ND2-CB 3.22Å; N1165-F1168 PolarHBondContact O-N 3.32Å; N1165-F1168 PolarHBondContact OD1-N 3.35Å; N1165-F1168 VanDerWaalsContact OD1-N 3.12Å; F1168-N1171 PolarHBondContact O-N 2.95Å; F1168-L1172 HydrophobicContact CD1-CD1 3.7Å; F1168-L1172 HydrophobicContact CD1-CG 4.23Å; F1168-L1172 HydrophobicContact CE1-CD1 3.41Å; F1168-L1172 VanDerWaalsContact CE1-CD1 3.41Å; F1168-L1172 HydrophobicContact CE1-CD2 4.47Å; F1168-L1172 HydrophobicContact CE1-CG 4.01Å; F1168-L1172 HydrophobicContact CE2-CG 4.44Å; F1168-L1172 HydrophobicContact CG-CD1 4.48Å; F1168-L1172 HydrophobicContact CZ-CD1 3.96Å; F1168-L1172 HydrophobicContact CZ-CD2 4.18Å; F1168-L1172 HydrophobicContact CZ-CG 4.1Å; F1168-L1172 WeakPolarHBondContact O-CB 3.2Å; F1168-L1172 WeakPolarHBondContact O-CG 3.24Å; F1168-L1172 PolarHBondContact O-N 3.34Å
1169V96.1Very high94.1Very high34 Ų3454.1 Ų54.121%0.20631%0.307CS..Hα-helixtrans-64.9-45.4176.6174.30000111.5I1162 L1163 N1165 H1166 N1171 L1172 I1173I1162-V1169 HydrophobicContact CG2-CG2 4.45Å; I1162-V1169 WeakPolarHBondContact O-CG2 3.44Å; L1163-V1169 HydrophobicContact CD2-CG2 4.33Å; N1165-V1169 WeakPolarHBondContact O-CG2 3.49Å; N1165-V1169 PolarHBondContact O-N 2.87Å; H1166-V1169 PolarHBondContact O-N 3.24Å; V1169-N1171 VanDerWaalsContact C-N 3.29Å; V1169-N1171 PolarHBondContact O-N 2.85Å; V1169-L1172 PolarHBondContact O-N 2.78Å; V1169-I1173 HydrophobicContact CG1-CD1 3.97Å; V1169-I1173 VanDerWaalsContact O-CG1 3.32Å; V1169-I1173 WeakPolarHBondContact O-CG1 3.34Å; V1169-I1173 PolarHBondContact O-N 3.01Å
1170V96.7Very high94.2Very high98 Ų9858.1 Ų58.159%0.59433%0.328SS*.Hα-helixtrans-60.6-42.8175.2170.90000110.3H1166 I1173 A1174H1166-V1170 WeakPolarHBondContact O-CB 3.44Å; H1166-V1170 VanDerWaalsContact O-CG2 3.27Å; H1166-V1170 WeakPolarHBondContact O-CG2 3.42Å; H1166-V1170 PolarHBondContact O-N 3.04Å; V1170-I1173 PolarHBondContact O-N 3.38Å; V1170-A1174 WeakPolarHBondContact O-CB 3.46Å; V1170-A1174 PolarHBondContact O-N 3.22Å
1171N96.3Very high94.3Very high27 Ų2757.8 Ų57.814%0.14433%0.327CS..Hα-helixtrans-64.4-41.7176.7-166.133.3000112.7T1061 L1062 T1065 L1167 F1168 V1169 I1173 A1174 C1175T1061-N1171 WeakPolarHBondContact CB-ND2 3.32Å; T1061-N1171 PolarHBondContact O-ND2 2.79Å; T1061-N1171 PolarHBondContact OG1-ND2 3.37Å; T1061-N1171 VanDerWaalsContact OG1-ND2 3.09Å; L1062-N1171 PolarHBondContact N-ND2 3.47Å; T1065-N1171 HydrophobicContact CG2-CB 4.3Å; T1065-N1171 PolarHBondContact OG1-ND2 2.97Å; T1065-N1171 VanDerWaalsContact OG1-ND2 3.12Å; L1167-N1171 WeakPolarHBondContact O-CB 3.45Å; L1167-N1171 PolarHBondContact O-N 3.29Å; F1168-N1171 PolarHBondContact O-N 2.95Å; V1169-N1171 VanDerWaalsContact C-N 3.29Å; V1169-N1171 PolarHBondContact O-N 2.85Å; N1171-I1173 PolarHBondContact O-N 2.89Å; N1171-A1174 PolarHBondContact O-N 2.62Å; N1171-C1175 WeakPolarHBondContact O-CB 3.37Å; N1171-C1175 PolarHBondContact O-N 3.16Å; N1171-C1175 PolarHBondContact O-SG 3.39Å
1172L96.4Very high94.3Very high15 Ų1555.6 Ų55.68%0.07931%0.311CS..Hα-helixtrans-59.4-46.5174.5-79.8173.4000111.3L1062 I1146 I1150 I1162 F1168 V1169 A1174 C1175 I1176L1062-L1172 HydrophobicContact CD2-CD2 3.71Å; L1062-L1172 HydrophobicContact CD2-CG 4.2Å; I1146-L1172 HydrophobicContact CG2-CD2 3.85Å; I1150-L1172 HydrophobicContact CD1-CD2 4.21Å; I1150-L1172 HydrophobicContact CG1-CD1 4.04Å; I1150-L1172 HydrophobicContact CG1-CD2 3.87Å; I1162-L1172 HydrophobicContact CG2-CD1 4.4Å; F1168-L1172 HydrophobicContact CD1-CD1 3.7Å; F1168-L1172 HydrophobicContact CD1-CG 4.23Å; F1168-L1172 HydrophobicContact CE1-CD1 3.41Å; F1168-L1172 VanDerWaalsContact CE1-CD1 3.41Å; F1168-L1172 HydrophobicContact CE1-CD2 4.47Å; F1168-L1172 HydrophobicContact CE1-CG 4.01Å; F1168-L1172 HydrophobicContact CE2-CG 4.44Å; F1168-L1172 HydrophobicContact CG-CD1 4.48Å; F1168-L1172 HydrophobicContact CZ-CD1 3.96Å; F1168-L1172 HydrophobicContact CZ-CD2 4.18Å; F1168-L1172 HydrophobicContact CZ-CG 4.1Å; F1168-L1172 WeakPolarHBondContact O-CB 3.2Å; F1168-L1172 WeakPolarHBondContact O-CG 3.24Å; F1168-L1172 PolarHBondContact O-N 3.34Å; V1169-L1172 PolarHBondContact O-N 2.78Å; L1172-A1174 VanDerWaalsContact C-N 3.31Å; L1172-A1174 PolarHBondContact O-N 3.04Å; L1172-C1175 PolarHBondContact O-N 3.01Å; L1172-I1176 WeakPolarHBondContact O-CB 3.19Å; L1172-I1176 WeakPolarHBondContact O-CD1 3.26Å; L1172-I1176 WeakPolarHBondContact O-CG1 3.47Å; L1172-I1176 PolarHBondContact O-N 3.17Å
1173I96.8Very high94.4Very high109 Ų10954.1 Ų54.156%0.55930%0.304SS*.Hα-helixtrans-60.9-43.9177.5-67.3166.4000110.2V1169 V1170 N1171 I1176 A1177V1169-I1173 HydrophobicContact CG1-CD1 3.97Å; V1169-I1173 VanDerWaalsContact O-CG1 3.32Å; V1169-I1173 WeakPolarHBondContact O-CG1 3.34Å; V1169-I1173 PolarHBondContact O-N 3.01Å; V1170-I1173 PolarHBondContact O-N 3.38Å; N1171-I1173 PolarHBondContact O-N 2.89Å; I1173-I1176 PolarHBondContact O-N 3.12Å; I1173-A1177 VanDerWaalsContact O-CB 3.25Å; I1173-A1177 WeakPolarHBondContact O-CB 3.29Å; I1173-A1177 PolarHBondContact O-N 3.06Å
1174A96.4Very high94.4Very high57 Ų5750.2 Ų50.247%0.47129%0.287SS..Hα-helixtrans-62.1-46176.800000112.2V1170 N1171 L1172 A1177 G1178V1170-A1174 WeakPolarHBondContact O-CB 3.46Å; V1170-A1174 PolarHBondContact O-N 3.22Å; N1171-A1174 PolarHBondContact O-N 2.62Å; L1172-A1174 VanDerWaalsContact C-N 3.31Å; L1172-A1174 PolarHBondContact O-N 3.04Å; A1174-A1177 PolarHBondContact O-N 2.75Å; A1174-G1178 PolarHBondContact O-N 2.81Å
1175C96.8Very high94Very high10 Ų1053.7 Ų53.77%0.06830%0.302CS..Hα-helixtrans-63.2-44.1177.1-68.80000111.7I1146 N1171 L1172 G1178 S1179I1146-C1175 HydrophobicContact CD1-CB 3.84Å; I1146-C1175 HydrophobicContact CG1-CB 4.16Å; N1171-C1175 WeakPolarHBondContact O-CB 3.37Å; N1171-C1175 PolarHBondContact O-N 3.16Å; N1171-C1175 PolarHBondContact O-SG 3.39Å; L1172-C1175 PolarHBondContact O-N 3.01Å; C1175-G1178 PolarHBondContact O-N 3.42Å; C1175-S1179 WeakPolarHBondContact O-CB 3.32Å; C1175-S1179 PolarHBondContact O-N 2.83Å; C1175-S1179 PolarHBondContact O-OG 2.75Å
1176I96.2Very high93.7Very high72 Ų7254.7 Ų54.737%0.36931%0.308SS..Hα-helixtrans-63.7-44.8177.5-68.7166.3000110.5I1146 L1172 I1173 S1179 L1180I1146-I1176 HydrophobicContact CD1-CG1 4.13Å; I1146-I1176 HydrophobicContact CG2-CD1 4.26Å; I1146-I1176 HydrophobicContact CG2-CG1 3.86Å; L1172-I1176 WeakPolarHBondContact O-CB 3.19Å; L1172-I1176 WeakPolarHBondContact O-CD1 3.26Å; L1172-I1176 WeakPolarHBondContact O-CG1 3.47Å; L1172-I1176 PolarHBondContact O-N 3.17Å; I1173-I1176 PolarHBondContact O-N 3.12Å; I1176-S1179 PolarHBondContact O-N 3.02Å; I1176-L1180 WeakPolarHBondContact O-CB 3.36Å; I1176-L1180 PolarHBondContact O-N 3.39Å
1177A95.6Very high93.5Very high55 Ų5550.2 Ų50.246%0.45530%0.296SS..Hα-helixtrans-62.9-43.8177.500000111.8I1173 A1174 L1180 Y1181I1173-A1177 VanDerWaalsContact O-CB 3.25Å; I1173-A1177 WeakPolarHBondContact O-CB 3.29Å; I1173-A1177 PolarHBondContact O-N 3.06Å; A1174-A1177 PolarHBondContact O-N 2.75Å; A1177-L1180 PolarHBondContact O-N 3.35Å; A1177-Y1181 WeakPolarHBondContact O-CB 3.28Å; A1177-Y1181 PolarHBondContact O-N 2.85Å
1178G93.7Very high93.2Very high25 Ų2555.1 Ų55.126%0.25831%0.308SS..Hα-helixtrans-60.4-43.7173.800000112.4A1174 C1175 Y1181 L1182A1174-G1178 PolarHBondContact O-N 2.81Å; C1175-G1178 PolarHBondContact O-N 3.42Å; G1178-Y1181 WeakPolarHBondContact O-CB 3.44Å; G1178-Y1181 PolarHBondContact O-N 2.83Å; G1178-L1182 WeakPolarHBondContact O-CG 3.44Å; G1178-L1182 PolarHBondContact O-N 3.15Å
1179S94.2Very high93Very high0 Ų060.1 Ų60.10%034%0.338CS..Hα-helixtrans-65.3-41.3178.1-52.60000112.2V1142 Y1143 I1146 C1175 I1176 Y1181 L1182 T1183V1142-S1179 WeakPolarHBondContact CG1-OG 3.39Å; Y1143-S1179 VanDerWaalsContact OH-C 3.29Å; Y1143-S1179 PolarHBondContact OH-O 3.33Å; I1146-S1179 VanDerWaalsContact CD1-OG 3.32Å; I1146-S1179 WeakPolarHBondContact CD1-OG 3.43Å; C1175-S1179 WeakPolarHBondContact O-CB 3.32Å; C1175-S1179 PolarHBondContact O-N 2.83Å; C1175-S1179 PolarHBondContact O-OG 2.75Å; I1176-S1179 PolarHBondContact O-N 3.02Å; S1179-Y1181 VanDerWaalsContact C-N 3.35Å; S1179-L1182 PolarHBondContact O-N 3.2Å; S1179-T1183 WeakPolarHBondContact O-CB 3.32Å; S1179-T1183 PolarHBondContact O-N 3.01Å; S1179-T1183 PolarHBondContact O-OG1 2.91Å
1180L94.1Very high92.7Very high86 Ų8660.1 Ų60.145%0.4534%0.338SS..Hα-helixtrans-63.1-41.8175.1-172.270.3000111.5Y1143 I1176 A1177 S1184Y1143-L1180 WeakPolarHBondContact OH-CA 3.47Å; Y1143-L1180 PolarHBondContact OH-N 3.06Å; I1176-L1180 WeakPolarHBondContact O-CB 3.36Å; I1176-L1180 PolarHBondContact O-N 3.39Å; A1177-L1180 PolarHBondContact O-N 3.35Å; L1180-S1184 WeakPolarHBondContact O-CB 3.02Å; L1180-S1184 PolarHBondContact O-N 3.35Å; L1180-S1184 PolarHBondContact O-OG 2.71Å
1181Y93.6Very high92.2Very high107 Ų10759.1 Ų59.142%0.4232%0.323SS..Hα-helixtrans-63.5-49175.8173.5-105.8000112.1A1177 G1178 S1179 T1183 L1185 P1186 A1187 V1190A1177-Y1181 WeakPolarHBondContact O-CB 3.28Å; A1177-Y1181 PolarHBondContact O-N 2.85Å; G1178-Y1181 WeakPolarHBondContact O-CB 3.44Å; G1178-Y1181 PolarHBondContact O-N 2.83Å; S1179-Y1181 VanDerWaalsContact C-N 3.35Å; Y1181-T1183 PolarHBondContact O-N 3.36Å; Y1181-L1185 CarbonylContact O-C 3.58Å; Y1181-L1185 PolarHBondContact O-N 3.36Å; Y1181-P1186 HydrophobicContact CE1-CB 4.44Å; Y1181-P1186 WeakPolarHBondContact O-CD 3.42Å; Y1181-A1187 VanDerWaalsContact OH-CB 3.24Å; Y1181-A1187 WeakPolarHBondContact OH-CB 3.49Å; Y1181-A1187 PolarHBondContact OH-N 2.88Å; Y1181-V1190 HydrophobicContact CE1-CB 4.47Å; Y1181-V1190 HydrophobicContact CE1-CG1 4.18Å; Y1181-V1190 HydrophobicContact CE1-CG2 4.2Å
1182L92.9Very high91.8Very high11 Ų1165.8 Ų65.86%0.05835%0.351CS..Hα-helixtrans-63.2-38.6179.5-71.6175.7000112.8F1053 F1138 G1178 S1179 P1186 V1190 F1194 L1196F1053-L1182 HydrophobicContact CD1-CD1 4.07Å; F1053-L1182 HydrophobicContact CE1-CD1 3.58Å; F1053-L1182 HydrophobicContact CE2-CD1 4.16Å; F1053-L1182 HydrophobicContact CZ-CD1 3.63Å; F1138-L1182 HydrophobicContact CE1-CD1 4.47Å; F1138-L1182 HydrophobicContact CZ-CD1 4.43Å; G1178-L1182 WeakPolarHBondContact O-CG 3.44Å; G1178-L1182 PolarHBondContact O-N 3.15Å; S1179-L1182 PolarHBondContact O-N 3.2Å; L1182-P1186 WeakPolarHBondContact O-CD 3.5Å; L1182-P1186 WeakPolarHBondContact O-CG 2.99Å; L1182-V1190 HydrophobicContact CD2-CG1 3.65Å; L1182-F1194 HydrophobicContact CD1-CE1 4.09Å; L1182-F1194 HydrophobicContact CD1-CZ 4.26Å; L1182-F1194 HydrophobicContact CD2-CD1 4.46Å; L1182-F1194 HydrophobicContact CD2-CD2 4.17Å; L1182-F1194 HydrophobicContact CD2-CE1 4.33Å; L1182-F1194 HydrophobicContact CD2-CE2 4.04Å; L1182-F1194 HydrophobicContact CD2-CG 4.38Å; L1182-F1194 HydrophobicContact CD2-CZ 4.13Å; L1182-L1196 HydrophobicContact CD2-CD1 4.33Å
1183T91.3Very high91.4Very high7 Ų770 Ų704%0.04337%0.373CS..Hα-helixtrans-79.7-39-177.5-56.70000112.6S1139 Y1143 S1179 Y1181 L1208S1139-T1183 PolarHBondContact OG-OG1 2.99Å; Y1143-T1183 HydrophobicContact CE2-CG2 4.37Å; S1179-T1183 WeakPolarHBondContact O-CB 3.32Å; S1179-T1183 PolarHBondContact O-N 3.01Å; S1179-T1183 PolarHBondContact O-OG1 2.91Å; Y1181-T1183 PolarHBondContact O-N 3.36Å; T1183-L1208 HydrophobicContact CG2-CD2 3.85Å
1184S89.2Confident91.1Very high46 Ų4665.8 Ų65.832%0.32235%0.351SS..Hα-helixtrans-88.4-54.1-169.4-480000112.9L1180 H1209L1180-S1184 WeakPolarHBondContact O-CB 3.02Å; L1180-S1184 PolarHBondContact O-N 3.35Å; L1180-S1184 PolarHBondContact O-OG 2.71Å; S1184-H1209 PolarHBondContact OG-NE2 2.71Å
1185L83.1Confident90.7Very high115 Ų11566.4 Ų66.460%0.60234%0.344SS*.  trans-15965.7-173.1-124.8137.8000113.1Y1181Y1181-L1185 CarbonylContact O-C 3.58Å; Y1181-L1185 PolarHBondContact O-N 3.36Å
1186P86.2Confident90.4Very high26 Ų2666 Ų6617%0.16934%0.341CS..  trans-65.7143.217727.3-33.7000111Y1181 L1182 V1190 R1191 L1196Y1181-P1186 HydrophobicContact CE1-CB 4.44Å; Y1181-P1186 WeakPolarHBondContact O-CD 3.42Å; L1182-P1186 WeakPolarHBondContact O-CD 3.5Å; L1182-P1186 WeakPolarHBondContact O-CG 2.99Å; P1186-V1190 HydrophobicContact CB-CB 4.32Å; P1186-V1190 HydrophobicContact CB-CG1 4.19Å; P1186-R1191 HydrophobicContact CB-CB 4.47Å; P1186-R1191 HydrophobicContact CG-CB 4.22Å; P1186-L1196 HydrophobicContact CG-CD1 4.4Å
1187A89.3Confident90Very high49 Ų4963.3 Ų63.341%0.40533%0.329SS..  trans-59.8154.3174.300000110.7Y1181 V1189 V1190 R1191Y1181-A1187 VanDerWaalsContact OH-CB 3.24Å; Y1181-A1187 WeakPolarHBondContact OH-CB 3.49Å; Y1181-A1187 PolarHBondContact OH-N 2.88Å; A1187-V1189 PolarHBondContact O-N 3.09Å; A1187-V1189 VanDerWaalsContact O-N 3.11Å; A1187-V1190 HydrophobicContact CB-CG2 4.42Å; A1187-V1190 PolarHBondContact O-N 3.18Å; A1187-V1190 VanDerWaalsContact O-N 3.08Å; A1187-R1191 WeakPolarHBondContact O-CB 3.38Å; A1187-R1191 PolarHBondContact O-N 3.16Å
1188R87.4Confident89.6Confident208 Ų20868.4 Ų68.479%0.78534%0.336SS*.Hα-helixtrans-54.4-37.7-175.3-70.2-176.7-178.2172.50.9113.2K1192R1188-K1192 WeakPolarHBondContact O-CB 3.17Å; R1188-K1192 PolarHBondContact O-N 3.03Å
1189V90Very high89.4Confident105 Ų10568 Ų6864%0.63633%0.327SS*.Hα-helixtrans-64.7-52.7177.6-178.40000110.5A1187 R1191 K1192 L1193A1187-V1189 PolarHBondContact O-N 3.09Å; A1187-V1189 VanDerWaalsContact O-N 3.11Å; V1189-R1191 VanDerWaalsContact C-N 3.34Å; V1189-R1191 PolarHBondContact O-N 2.73Å; V1189-K1192 PolarHBondContact O-N 3.02Å; V1189-K1192 VanDerWaalsContact O-N 3.08Å; V1189-L1193 HydrophobicContact CG1-CD1 3.97Å; V1189-L1193 HydrophobicContact CG1-CG 4.45Å; V1189-L1193 WeakPolarHBondContact O-CG 3.22Å; V1189-L1193 PolarHBondContact O-N 3.42Å
1190V90Very high89Confident34 Ų3471.6 Ų71.621%0.20635%0.351CS..Hα-helixtrans-59.2-45.7178.6-179.30000110.9Y1181 L1182 P1186 A1187 K1192 L1193 F1194Y1181-V1190 HydrophobicContact CE1-CB 4.47Å; Y1181-V1190 HydrophobicContact CE1-CG1 4.18Å; Y1181-V1190 HydrophobicContact CE1-CG2 4.2Å; L1182-V1190 HydrophobicContact CD2-CG1 3.65Å; P1186-V1190 HydrophobicContact CB-CB 4.32Å; P1186-V1190 HydrophobicContact CB-CG1 4.19Å; A1187-V1190 HydrophobicContact CB-CG2 4.42Å; A1187-V1190 PolarHBondContact O-N 3.18Å; A1187-V1190 VanDerWaalsContact O-N 3.08Å; V1190-K1192 VanDerWaalsContact C-N 3.26Å; V1190-K1192 PolarHBondContact O-N 3.22Å; V1190-L1193 PolarHBondContact O-N 3.14Å; V1190-F1194 HydrophobicContact CG1-CD2 3.63Å; V1190-F1194 HydrophobicContact CG1-CE2 3.83Å; V1190-F1194 WeakPolarHBondContact O-CD2 3.24Å; V1190-F1194 PolarHBondContact O-N 3.12Å
1191R88Confident88.9Confident77 Ų7768.7 Ų68.729%0.29134%0.337SS..Hα-helixtrans-60.1-35.1176.9-173.5-177.360.61272.5112.7P1186 A1187 V1189 E1195 L1196P1186-R1191 HydrophobicContact CB-CB 4.47Å; P1186-R1191 HydrophobicContact CG-CB 4.22Å; A1187-R1191 WeakPolarHBondContact O-CB 3.38Å; A1187-R1191 PolarHBondContact O-N 3.16Å; V1189-R1191 VanDerWaalsContact C-N 3.34Å; V1189-R1191 PolarHBondContact O-N 2.73Å; R1191-E1195 PolarHBondContact O-N 2.91Å; R1191-L1196 HydrophobicContact CG-CB 4.01Å; R1191-L1196 WeakPolarHBondContact CG-O 3.38Å; R1191-L1196 PolarHBondContact O-N 2.96Å
1192K87.3Confident88.7Confident168 Ų16868.5 Ų68.573%0.7335%0.347SS*.Hα-helixtrans-72.2-44.1176-171-180178.7-175.70110.9R1188 V1189 V1190 E1195R1188-K1192 WeakPolarHBondContact O-CB 3.17Å; R1188-K1192 PolarHBondContact O-N 3.03Å; V1189-K1192 PolarHBondContact O-N 3.02Å; V1189-K1192 VanDerWaalsContact O-N 3.08Å; V1190-K1192 VanDerWaalsContact C-N 3.26Å; V1190-K1192 PolarHBondContact O-N 3.22Å; K1192-E1195 PolarHBondContact O-N 3.44Å
1193L88.4Confident88.7Confident102 Ų10276.7 Ų76.753%0.53438%0.378SS..Hα-helixtrans-64.4-40.7179.8-69.6170.9000113L1049 V1189 V1190 E1195L1049-L1193 HydrophobicContact CD2-CB 4.04Å; V1189-L1193 HydrophobicContact CG1-CD1 3.97Å; V1189-L1193 HydrophobicContact CG1-CG 4.45Å; V1189-L1193 WeakPolarHBondContact O-CG 3.22Å; V1189-L1193 PolarHBondContact O-N 3.42Å; V1190-L1193 PolarHBondContact O-N 3.14Å; L1193-E1195 VanDerWaalsContact C-N 3.3Å
1194F90.5Very high88.8Confident22 Ų2276.4 Ų76.410%0.09638%0.377CS..THydrogen-bonded Turntrans-86.20.7176.7-79.2-100000113.1S1047 L1049 Q1050 F1053 F1138 L1182 V1190 L1196S1047-F1194 PolarHBondContact OG-O 2.79Å; L1049-F1194 HydrophobicContact CD2-CB 4.43Å; L1049-F1194 HydrophobicContact CD2-CD1 3.88Å; L1049-F1194 HydrophobicContact CD2-CD2 3.19Å; L1049-F1194 HydrophobicContact CD2-CE1 3.87Å; L1049-F1194 HydrophobicContact CD2-CE2 3.16Å; L1049-F1194 HydrophobicContact CD2-CG 3.56Å; L1049-F1194 HydrophobicContact CD2-CZ 3.52Å; Q1050-F1194 HydrophobicContact CG-CD1 4.02Å; Q1050-F1194 PolarHBondContact NE2-O 3.19Å; F1053-F1194 HydrophobicContact CB-CE1 3.52Å; F1053-F1194 HydrophobicContact CB-CZ 3.93Å; F1053-F1194 HydrophobicContact CD1-CE1 4.15Å; F1053-F1194 HydrophobicContact CD2-CE1 4.17Å; F1053-F1194 AromaticContact CD2-CZ 3.94Å; F1053-F1194 HydrophobicContact CD2-CZ 3.94Å; F1053-F1194 AromaticContact CG-CE1 3.68Å; F1053-F1194 HydrophobicContact CG-CE1 3.68Å; F1053-F1194 AromaticContact CG-CZ 3.93Å; F1053-F1194 HydrophobicContact CG-CZ 3.93Å; F1138-F1194 HydrophobicContact CE1-CD1 4.48Å; F1138-F1194 HydrophobicContact CZ-CD1 4.09Å; F1138-F1194 HydrophobicContact CZ-CE1 4.25Å; L1182-F1194 HydrophobicContact CD1-CE1 4.09Å; L1182-F1194 HydrophobicContact CD1-CZ 4.26Å; L1182-F1194 HydrophobicContact CD2-CD1 4.46Å; L1182-F1194 HydrophobicContact CD2-CD2 4.17Å; L1182-F1194 HydrophobicContact CD2-CE1 4.33Å; L1182-F1194 HydrophobicContact CD2-CE2 4.04Å; L1182-F1194 HydrophobicContact CD2-CG 4.38Å; L1182-F1194 HydrophobicContact CD2-CZ 4.13Å; V1190-F1194 HydrophobicContact CG1-CD2 3.63Å; V1190-F1194 HydrophobicContact CG1-CE2 3.83Å; V1190-F1194 WeakPolarHBondContact O-CD2 3.24Å; V1190-F1194 PolarHBondContact O-N 3.12Å; F1194-L1196 HydrophobicContact CB-CD1 3.62Å; F1194-L1196 HydrophobicContact CB-CD2 4.26Å; F1194-L1196 HydrophobicContact CB-CG 3.55Å; F1194-L1196 HydrophobicContact CG-CD1 4.28Å; F1194-L1196 PolarHBondContact O-N 3.13Å
1195E88.2Confident89.1Confident69 Ų6975 Ų7532%0.32237%0.366SS..THydrogen-bonded Turntrans54.334.2-177.3-60.8179.3170.300114.4S1047 L1129 K1130 R1191 K1192 L1193S1047-E1195 WeakPolarHBondContact CB-OE2 3.47Å; L1129-E1195 VanDerWaalsContact CB-OE2 3.23Å; L1129-E1195 WeakPolarHBondContact CB-OE2 3.37Å; K1130-E1195 HydrophobicContact CB-CB 4.39Å; K1130-E1195 VanDerWaalsContact CG-O 3.29Å; K1130-E1195 WeakPolarHBondContact CG-O 3.44Å; R1191-E1195 PolarHBondContact O-N 2.91Å; K1192-E1195 PolarHBondContact O-N 3.44Å; L1193-E1195 VanDerWaalsContact C-N 3.3Å
1196L89.3Confident89.6Confident3 Ų374.6 Ų74.62%0.01636%0.364CS..PPolyproline II helixtrans-83.3142.5-175.2-58167.4000112K1130 T1135 F1138 L1182 P1186 R1191 F1194K1130-L1196 VanDerWaalsContact CE-O 3.32Å; K1130-L1196 WeakPolarHBondContact CE-O 3.42Å; T1135-L1196 HydrophobicContact CG2-CB 4.27Å; T1135-L1196 HydrophobicContact CG2-CD2 4.07Å; F1138-L1196 HydrophobicContact CD1-CD2 3.64Å; F1138-L1196 HydrophobicContact CE1-CD2 3.88Å; L1182-L1196 HydrophobicContact CD2-CD1 4.33Å; P1186-L1196 HydrophobicContact CG-CD1 4.4Å; R1191-L1196 HydrophobicContact CG-CB 4.01Å; R1191-L1196 WeakPolarHBondContact CG-O 3.38Å; R1191-L1196 PolarHBondContact O-N 2.96Å; F1194-L1196 HydrophobicContact CB-CD1 3.62Å; F1194-L1196 HydrophobicContact CB-CD2 4.26Å; F1194-L1196 HydrophobicContact CB-CG 3.55Å; F1194-L1196 HydrophobicContact CG-CD1 4.28Å; F1194-L1196 PolarHBondContact O-N 3.13Å
1197C88.2Confident90Very high15 Ų1577.1 Ų77.110%0.10138%0.375CS..PPolyproline II helixtrans-85.4143.3167.7-79.20000110.9K1130 Y1132 T1135K1130-C1197 VanDerWaalsContact CG-SG 3.59Å; Y1132-C1197 HydrophobicContact CD1-CB 3.79Å; Y1132-C1197 HydrophobicContact CE1-CB 3.92Å; Y1132-C1197 HydrophobicContact CG-CB 4.49Å; T1135-C1197 WeakPolarHBondContact CG2-O 3.34Å; T1135-C1197 WeakPolarHBondContact OG1-CB 3.48Å; T1135-C1197 PolarHBondContact OG1-N 3.15Å
1198R86.4Confident90.3Very high161 Ų16174.8 Ų74.861%0.60836%0.356SS*.PPolyproline II helixtrans-86.7121.2174.2178.1177.2174.1146.7-2.6108.6P1200R1198-P1200 WeakPolarHBondContact O-CD 3.44Å
1199F89.4Confident90.7Very high17 Ų1767 Ų678%0.07533%0.328CS..PPolyproline II helixtrans-65124.1171.4-59.3-61.1000110W1116 Y1132 T1135 A1136 F1204 V1205 L1208W1116-F1199 AromaticContact CH2-CD1 3.8Å; W1116-F1199 HydrophobicContact CH2-CD1 3.8Å; W1116-F1199 HydrophobicContact CZ3-CD1 4.25Å; Y1132-F1199 HydrophobicContact CD1-CD1 4.19Å; Y1132-F1199 HydrophobicContact CD1-CE1 4.34Å; T1135-F1199 HydrophobicContact CG2-CE1 4.38Å; T1135-F1199 HydrophobicContact CG2-CE2 3.93Å; T1135-F1199 HydrophobicContact CG2-CZ 3.62Å; A1136-F1199 HydrophobicContact CB-CE1 4.25Å; A1136-F1199 HydrophobicContact CB-CZ 4.01Å; F1199-F1204 HydrophobicContact CB-CD1 4.2Å; F1199-F1204 AromaticContact CD1-CD1 3.81Å; F1199-F1204 HydrophobicContact CD1-CD1 3.81Å; F1199-F1204 AromaticContact CD1-CE1 3.59Å; F1199-F1204 HydrophobicContact CD1-CE1 3.59Å; F1199-F1204 HydrophobicContact CD2-CD1 4.27Å; F1199-F1204 HydrophobicContact CD2-CE1 4.25Å; F1199-F1204 HydrophobicContact CE1-CD1 4.26Å; F1199-F1204 AromaticContact CE1-CE1 3.56Å; F1199-F1204 HydrophobicContact CE1-CE1 3.56Å; F1199-F1204 HydrophobicContact CE1-CZ 4.32Å; F1199-F1204 HydrophobicContact CE2-CE1 4.21Å; F1199-F1204 AromaticContact CG-CD1 3.82Å; F1199-F1204 HydrophobicContact CG-CD1 3.82Å; F1199-F1204 AromaticContact CG-CE1 3.95Å; F1199-F1204 HydrophobicContact CG-CE1 3.95Å; F1199-F1204 AromaticContact CZ-CE1 3.89Å; F1199-F1204 HydrophobicContact CZ-CE1 3.89Å; F1199-V1205 HydrophobicContact CB-CG2 3.86Å; F1199-V1205 HydrophobicContact CD2-CG2 3.96Å; F1199-V1205 HydrophobicContact CG-CG2 4.3Å; F1199-L1208 HydrophobicContact CE2-CD2 4.28Å
1200P87.1Confident91Very high76 Ų7663.9 Ų63.949%0.49432%0.317SS..SBendtrans-73-29.9-179.627.9-33.1000112.1W1116 R1198W1116-P1200 HydrophobicContact CB-CG 3.81Å; W1116-P1200 HydrophobicContact CD2-CG 3.44Å; W1116-P1200 VanDerWaalsContact CD2-CG 3.44Å; W1116-P1200 HydrophobicContact CE3-CG 3.48Å; W1116-P1200 VanDerWaalsContact CE3-CG 3.48Å; W1116-P1200 HydrophobicContact CG-CG 3.6Å; W1116-P1200 HydrophobicContact CZ3-CG 4.28Å; R1198-P1200 WeakPolarHBondContact O-CD 3.44Å
1201S90.5Very high91.3Very high25 Ų2564.8 Ų64.818%0.17532%0.32CS..  trans-92.5118.7-179.5177.70000112.1W1116 Y1203 F1204 V1205W1116-S1201 VanDerWaalsContact NE1-CB 3.32Å; S1201-Y1203 VanDerWaalsContact C-N 3.28Å; S1201-Y1203 PolarHBondContact O-N 3.35Å; S1201-Y1203 PolarHBondContact OG-N 2.73Å; S1201-F1204 WeakPolarHBondContact O-CB 3.24Å; S1201-F1204 PolarHBondContact O-N 3.27Å; S1201-F1204 PolarHBondContact OG-N 2.97Å; S1201-V1205 PolarHBondContact O-N 3.3Å
1202V91Very high91.7Very high102 Ų10261.9 Ų61.962%0.61831%0.311SS*.Hα-helixtrans-64.9-35.4171.3-179.90000110.9F1204 V1205 I1206V1202-F1204 VanDerWaalsContact C-N 3.28Å; V1202-F1204 PolarHBondContact O-N 3.08Å; V1202-V1205 PolarHBondContact O-N 3.34Å; V1202-V1205 VanDerWaalsContact O-N 3.15Å; V1202-I1206 HydrophobicContact CG1-CD1 4.09Å; V1202-I1206 HydrophobicContact CG1-CG1 4.45Å; V1202-I1206 WeakPolarHBondContact O-CG1 3.38Å; V1202-I1206 PolarHBondContact O-N 3.23Å
1203Y92.4Very high92.1Very high183 Ų18358.7 Ų58.772%0.71830%0.301SS*.Hα-helixtrans-59.5-40.1176.1-65.9-78000111.9S1201 V1205 I1206 I1207S1201-Y1203 VanDerWaalsContact C-N 3.28Å; S1201-Y1203 PolarHBondContact O-N 3.35Å; S1201-Y1203 PolarHBondContact OG-N 2.73Å; Y1203-V1205 PolarHBondContact O-N 3.27Å; Y1203-I1206 PolarHBondContact O-N 2.76Å; Y1203-I1207 VanDerWaalsContact O-CG1 3.29Å; Y1203-I1207 WeakPolarHBondContact O-CG1 3.32Å; Y1203-I1207 PolarHBondContact O-N 3.46Å
1204F93.9Very high92.5Very high1 Ų155.5 Ų55.50%0.00429%0.293CS..Hα-helixtrans-61.2-44.7175.5178.6-94.1000111.6F1110 T1111 Q1114 W1116 A1136 F1199 S1201 V1202 I1206 I1207 L1208F1110-F1204 HydrophobicContact CD1-CD2 4.01Å; F1110-F1204 AromaticContact CD1-CE2 3.52Å; F1110-F1204 HydrophobicContact CD1-CE2 3.52Å; F1110-F1204 HydrophobicContact CD1-CZ 4.49Å; F1110-F1204 AromaticContact CE1-CD2 3.51Å; F1110-F1204 HydrophobicContact CE1-CD2 3.51Å; F1110-F1204 AromaticContact CE1-CE2 3.55Å; F1110-F1204 HydrophobicContact CE1-CE2 3.55Å; F1110-F1204 HydrophobicContact CZ-CD2 4.36Å; T1111-F1204 HydrophobicContact CG2-CZ 4.34Å; T1111-F1204 WeakPolarHBondContact OG1-CZ 3.45Å; Q1114-F1204 HydrophobicContact CG-CD2 3.78Å; Q1114-F1204 HydrophobicContact CG-CE2 3.94Å; W1116-F1204 HydrophobicContact CH2-CD1 4.06Å; W1116-F1204 HydrophobicContact CH2-CD2 4.16Å; W1116-F1204 HydrophobicContact CH2-CE1 4.2Å; W1116-F1204 HydrophobicContact CH2-CE2 4.27Å; W1116-F1204 HydrophobicContact CH2-CG 4.05Å; W1116-F1204 HydrophobicContact CH2-CZ 4.3Å; W1116-F1204 HydrophobicContact CZ2-CB 3.72Å; W1116-F1204 AromaticContact CZ2-CD1 3.94Å; W1116-F1204 HydrophobicContact CZ2-CD1 3.94Å; W1116-F1204 AromaticContact CZ2-CD2 3.61Å; W1116-F1204 HydrophobicContact CZ2-CD2 3.61Å; W1116-F1204 HydrophobicContact CZ2-CE1 4.46Å; W1116-F1204 HydrophobicContact CZ2-CE2 4.15Å; W1116-F1204 AromaticContact CZ2-CG 3.48Å; W1116-F1204 HydrophobicContact CZ2-CG 3.48Å; W1116-F1204 VanDerWaalsContact CZ2-CG 3.48Å; A1136-F1204 HydrophobicContact CB-CZ 4.48Å; F1199-F1204 HydrophobicContact CB-CD1 4.2Å; F1199-F1204 AromaticContact CD1-CD1 3.81Å; F1199-F1204 HydrophobicContact CD1-CD1 3.81Å; F1199-F1204 AromaticContact CD1-CE1 3.59Å; F1199-F1204 HydrophobicContact CD1-CE1 3.59Å; F1199-F1204 HydrophobicContact CD2-CD1 4.27Å; F1199-F1204 HydrophobicContact CD2-CE1 4.25Å; F1199-F1204 HydrophobicContact CE1-CD1 4.26Å; F1199-F1204 AromaticContact CE1-CE1 3.56Å; F1199-F1204 HydrophobicContact CE1-CE1 3.56Å; F1199-F1204 HydrophobicContact CE1-CZ 4.32Å; F1199-F1204 HydrophobicContact CE2-CE1 4.21Å; F1199-F1204 AromaticContact CG-CD1 3.82Å; F1199-F1204 HydrophobicContact CG-CD1 3.82Å; F1199-F1204 AromaticContact CG-CE1 3.95Å; F1199-F1204 HydrophobicContact CG-CE1 3.95Å; F1199-F1204 AromaticContact CZ-CE1 3.89Å; F1199-F1204 HydrophobicContact CZ-CE1 3.89Å; S1201-F1204 WeakPolarHBondContact O-CB 3.24Å; S1201-F1204 PolarHBondContact O-N 3.27Å; S1201-F1204 PolarHBondContact OG-N 2.97Å; V1202-F1204 VanDerWaalsContact C-N 3.28Å; V1202-F1204 PolarHBondContact O-N 3.08Å; F1204-I1206 VanDerWaalsContact C-N 3.34Å; F1204-I1206 PolarHBondContact O-N 3.4Å; F1204-I1207 PolarHBondContact O-N 3.45Å; F1204-L1208 HydrophobicContact CE1-CD2 4.31Å; F1204-L1208 WeakPolarHBondContact O-CB 3.16Å; F1204-L1208 PolarHBondContact O-N 3.5Å
1205V94.1Very high92.8Very high17 Ų1754.7 Ų54.710%0.10329%0.29CS..Hα-helixtrans-62.2-41.2177.7179.40000111.5F1199 S1201 V1202 Y1203 L1208 H1209F1199-V1205 HydrophobicContact CB-CG2 3.86Å; F1199-V1205 HydrophobicContact CD2-CG2 3.96Å; F1199-V1205 HydrophobicContact CG-CG2 4.3Å; S1201-V1205 PolarHBondContact O-N 3.3Å; V1202-V1205 PolarHBondContact O-N 3.34Å; V1202-V1205 VanDerWaalsContact O-N 3.15Å; Y1203-V1205 PolarHBondContact O-N 3.27Å; V1205-L1208 WeakPolarHBondContact O-CB 3.36Å; V1205-L1208 PolarHBondContact O-N 2.99Å; V1205-H1209 PolarHBondContact O-CD2 3.23Å; V1205-H1209 PolarHBondContact O-N 2.9Å
1206I94.2Very high93.1Very high107 Ų10753.8 Ų53.855%0.54929%0.287SS..Hα-helixtrans-63.4-45.5176-66.5169000111V1202 Y1203 F1204 L1208 H1209 G1210V1202-I1206 HydrophobicContact CG1-CD1 4.09Å; V1202-I1206 HydrophobicContact CG1-CG1 4.45Å; V1202-I1206 WeakPolarHBondContact O-CG1 3.38Å; V1202-I1206 PolarHBondContact O-N 3.23Å; Y1203-I1206 PolarHBondContact O-N 2.76Å; F1204-I1206 VanDerWaalsContact C-N 3.34Å; F1204-I1206 PolarHBondContact O-N 3.4Å; I1206-L1208 VanDerWaalsContact C-N 3.31Å; I1206-L1208 PolarHBondContact O-N 2.9Å; I1206-H1209 PolarHBondContact O-N 2.95Å; I1206-G1210 PolarHBondContact O-N 2.7Å
1207I95.4Very high93.5Very high79 Ų7958.5 Ų58.541%0.40531%0.312SS..Hα-helixtrans-63-40.5177.1-68.6167.5000110.4F1110 Y1203 F1204 H1209 G1210 I1211F1110-I1207 HydrophobicContact CE1-CG2 3.83Å; F1110-I1207 HydrophobicContact CZ-CD1 4.23Å; F1110-I1207 HydrophobicContact CZ-CG2 3.98Å; Y1203-I1207 VanDerWaalsContact O-CG1 3.29Å; Y1203-I1207 WeakPolarHBondContact O-CG1 3.32Å; Y1203-I1207 PolarHBondContact O-N 3.46Å; F1204-I1207 PolarHBondContact O-N 3.45Å; I1207-H1209 PolarHBondContact O-N 3.37Å; I1207-G1210 CarbonylContact O-C 3.55Å; I1207-G1210 WeakPolarHBondContact O-CA 3.41Å; I1207-G1210 PolarHBondContact O-N 3.27Å; I1207-I1211 HydrophobicContact CG2-CD1 3.98Å; I1207-I1211 HydrophobicContact CG2-CG1 4.32Å; I1207-I1211 WeakPolarHBondContact O-CG1 3.35Å; I1207-I1211 PolarHBondContact O-N 3.4Å
1208L94.9Very high93.8Very high0 Ų063 Ų630%033%0.33CS..Hα-helixtrans-59.3-47.1177.4-166.866.7000111.4V1107 V1140 T1183 F1199 F1204 V1205 I1206 G1210 I1211 V1212V1107-L1208 HydrophobicContact CG1-CD1 3.78Å; V1107-L1208 HydrophobicContact CG2-CD1 4.24Å; V1140-L1208 HydrophobicContact CG2-CD1 3.45Å; V1140-L1208 VanDerWaalsContact CG2-CD1 3.45Å; V1140-L1208 HydrophobicContact CG2-CG 4.11Å; T1183-L1208 HydrophobicContact CG2-CD2 3.85Å; F1199-L1208 HydrophobicContact CE2-CD2 4.28Å; F1204-L1208 HydrophobicContact CE1-CD2 4.31Å; F1204-L1208 WeakPolarHBondContact O-CB 3.16Å; F1204-L1208 PolarHBondContact O-N 3.5Å; V1205-L1208 WeakPolarHBondContact O-CB 3.36Å; V1205-L1208 PolarHBondContact O-N 2.99Å; I1206-L1208 VanDerWaalsContact C-N 3.31Å; I1206-L1208 PolarHBondContact O-N 2.9Å; L1208-G1210 VanDerWaalsContact C-N 3.29Å; L1208-G1210 PolarHBondContact O-N 2.93Å; L1208-I1211 PolarHBondContact O-N 2.79Å; L1208-V1212 WeakPolarHBondContact O-CG2 3.45Å; L1208-V1212 PolarHBondContact O-N 2.95Å
1209H95.5Very high94.2Very high44 Ų4455.3 Ų55.320%0.20430%0.301CS..Hα-helixtrans-62.4-36.5172.8-70.7-48.2000112.2Y1143 S1184 V1205 I1206 I1207 V1212 L1213Y1143-H1209 AromaticContact CZ-CE1 3.97Å; Y1143-H1209 AromaticContact CZ-ND1 3.91Å; Y1143-H1209 PolarHBondContact OH-CE1 3.35Å; Y1143-H1209 PolarHBondContact OH-ND1 3.35Å; S1184-H1209 PolarHBondContact OG-NE2 2.71Å; V1205-H1209 PolarHBondContact O-CD2 3.23Å; V1205-H1209 PolarHBondContact O-N 2.9Å; I1206-H1209 PolarHBondContact O-N 2.95Å; I1207-H1209 PolarHBondContact O-N 3.37Å; H1209-V1212 PolarHBondContact O-N 2.72Å; H1209-L1213 WeakPolarHBondContact O-CB 3.38Å; H1209-L1213 PolarHBondContact O-N 3.43Å
1210G96.2Very high94.3Very high40 Ų4061.2 Ų61.241%0.41232%0.323SS..Hα-helixtrans-63.2-43173.900000113.2I1206 I1207 L1208 V1212 L1213 G1214I1206-G1210 PolarHBondContact O-N 2.7Å; I1207-G1210 CarbonylContact O-C 3.55Å; I1207-G1210 WeakPolarHBondContact O-CA 3.41Å; I1207-G1210 PolarHBondContact O-N 3.27Å; L1208-G1210 VanDerWaalsContact C-N 3.29Å; L1208-G1210 PolarHBondContact O-N 2.93Å; G1210-V1212 VanDerWaalsContact C-N 3.34Å; G1210-L1213 PolarHBondContact O-N 3.16Å; G1210-G1214 PolarHBondContact O-N 2.89Å
1211I96.4Very high94.6Very high53 Ų5362.1 Ų62.127%0.27232%0.323SS..Hα-helixtrans-61.6-44.6174.9-69.1167.5000110V1103 V1107 I1207 L1208 G1214 N1215V1103-I1211 HydrophobicContact CG1-CG2 3.78Å; V1107-I1211 HydrophobicContact CG2-CD1 4.13Å; V1107-I1211 HydrophobicContact CG2-CG2 4.04Å; I1207-I1211 HydrophobicContact CG2-CD1 3.98Å; I1207-I1211 HydrophobicContact CG2-CG1 4.32Å; I1207-I1211 WeakPolarHBondContact O-CG1 3.35Å; I1207-I1211 PolarHBondContact O-N 3.4Å; L1208-I1211 PolarHBondContact O-N 2.79Å; I1211-G1214 PolarHBondContact O-N 2.8Å; I1211-N1215 WeakPolarHBondContact O-CB 3.37Å; I1211-N1215 PolarHBondContact O-N 2.93Å
1212V96.2Very high94.6Very high16 Ų1662.2 Ų62.210%0.09732%0.322CS..Hα-helixtrans-60.8-46.6176.8165.20000111.6V1140 Y1143 I1147 L1208 H1209 G1210 G1214 N1215 L1216V1140-V1212 HydrophobicContact CG2-CG2 4.31Å; Y1143-V1212 VanDerWaalsContact CB-CG1 3.43Å; Y1143-V1212 HydrophobicContact CD1-CG1 3.79Å; Y1143-V1212 HydrophobicContact CD2-CB 4.29Å; Y1143-V1212 HydrophobicContact CD2-CG1 3.9Å; Y1143-V1212 HydrophobicContact CD2-CG2 3.54Å; Y1143-V1212 HydrophobicContact CE1-CG1 4.5Å; Y1143-V1212 HydrophobicContact CE2-CG2 4.27Å; Y1143-V1212 HydrophobicContact CG-CB 4.31Å; Y1143-V1212 HydrophobicContact CG-CG1 3.45Å; Y1143-V1212 VanDerWaalsContact CG-CG1 3.45Å; Y1143-V1212 HydrophobicContact CG-CG2 3.92Å; I1147-V1212 HydrophobicContact CD1-CG1 4.37Å; L1208-V1212 WeakPolarHBondContact O-CG2 3.45Å; L1208-V1212 PolarHBondContact O-N 2.95Å; H1209-V1212 PolarHBondContact O-N 2.72Å; G1210-V1212 VanDerWaalsContact C-N 3.34Å; V1212-G1214 VanDerWaalsContact C-N 3.33Å; V1212-G1214 PolarHBondContact O-N 3.25Å; V1212-N1215 WeakPolarHBondContact O-CB 3.28Å; V1212-N1215 PolarHBondContact O-N 2.99Å; V1212-L1216 PolarHBondContact O-N 2.77Å
1213L95.9Very high94.7Very high100 Ų10057.7 Ų57.752%0.52429%0.294SS..Hα-helixtrans-62.4-42.5176.6-179.762.1000111.3H1209 G1210 N1215 L1216 L1217H1209-L1213 WeakPolarHBondContact O-CB 3.38Å; H1209-L1213 PolarHBondContact O-N 3.43Å; G1210-L1213 PolarHBondContact O-N 3.16Å; L1213-N1215 VanDerWaalsContact C-N 3.31Å; L1213-N1215 PolarHBondContact O-N 3.28Å; L1213-L1216 PolarHBondContact O-N 3.15Å; L1213-L1217 HydrophobicContact CG-CD1 4.35Å; L1213-L1217 WeakPolarHBondContact O-CG 3.48Å; L1213-L1217 PolarHBondContact O-N 3.42Å
1214G96.9Very high94.4Very high35 Ų3551.8 Ų51.836%0.36128%0.279SS..Hα-helixtrans-58.6-42.1173.600000112.4G1210 I1211 V1212 L1217 F1218G1210-G1214 PolarHBondContact O-N 2.89Å; I1211-G1214 PolarHBondContact O-N 2.8Å; V1212-G1214 VanDerWaalsContact C-N 3.33Å; V1212-G1214 PolarHBondContact O-N 3.25Å; G1214-L1217 PolarHBondContact O-N 3.26Å; G1214-F1218 VanDerWaalsContact O-CB 3.3Å; G1214-F1218 WeakPolarHBondContact O-CB 3.4Å; G1214-F1218 PolarHBondContact O-N 3.37Å
1215N96.5Very high94.1Very high5 Ų556.2 Ų56.23%0.02730%0.302CS..Hα-helixtrans-64.4-41.8176.5-169.826.8000112.3T1099 V1103 Q1144 I1147 I1211 V1212 L1213 G1219T1099-N1215 WeakPolarHBondContact CG2-OD1 3.4Å; V1103-N1215 HydrophobicContact CG2-CB 4.39Å; Q1144-N1215 WeakPolarHBondContact CG-ND2 3.12Å; I1147-N1215 HydrophobicContact CD1-CB 4.17Å; I1211-N1215 WeakPolarHBondContact O-CB 3.37Å; I1211-N1215 PolarHBondContact O-N 2.93Å; V1212-N1215 WeakPolarHBondContact O-CB 3.28Å; V1212-N1215 PolarHBondContact O-N 2.99Å; L1213-N1215 VanDerWaalsContact C-N 3.31Å; L1213-N1215 PolarHBondContact O-N 3.28Å; N1215-G1219 PolarHBondContact O-N 3.02Å
1216L95.7Very high93.6Very high51 Ų5155.5 Ų55.527%0.26730%0.298SS..Hα-helixtrans-59.5-49174.3174.861.8000111.6I1147 I1150 V1212 L1213 Y1220I1147-L1216 HydrophobicContact CB-CD1 4.4Å; I1147-L1216 HydrophobicContact CD1-CB 4.02Å; I1147-L1216 HydrophobicContact CG1-CB 3.93Å; I1147-L1216 HydrophobicContact CG1-CD1 4Å; I1147-L1216 HydrophobicContact CG1-CG 4.5Å; I1147-L1216 HydrophobicContact CG2-CD1 4.1Å; I1150-L1216 HydrophobicContact CD1-CD1 4.41Å; I1150-L1216 HydrophobicContact CG2-CD1 4.42Å; V1212-L1216 PolarHBondContact O-N 2.77Å; L1213-L1216 PolarHBondContact O-N 3.15Å; L1216-Y1220 VanDerWaalsContact O-CB 3.3Å; L1216-Y1220 WeakPolarHBondContact O-CB 3.2Å; L1216-Y1220 PolarHBondContact O-N 2.63Å
1217L95.9Very high92.7Very high102 Ų10252 Ų5253%0.53428%0.28SS..Hα-helixtrans-64.4-47.2-178.5-67.7174.4000111.3L1213 G1214 Y1220 I1221L1213-L1217 HydrophobicContact CG-CD1 4.35Å; L1213-L1217 WeakPolarHBondContact O-CG 3.48Å; L1213-L1217 PolarHBondContact O-N 3.42Å; G1214-L1217 PolarHBondContact O-N 3.26Å; L1217-Y1220 PolarHBondContact O-N 2.74Å; L1217-I1221 WeakPolarHBondContact O-CD1 3.07Å; L1217-I1221 VanDerWaalsContact O-CG1 3.26Å; L1217-I1221 WeakPolarHBondContact O-CG1 3.37Å; L1217-I1221 PolarHBondContact O-N 2.88Å
1218F95.9Very high91.7Very high109 Ų10949 Ų4948%0.47827%0.269SS..Hα-helixtrans-65.2-47179.1-177.5-100.9000111.6T1099 G1214 Y1220 I1221 L1222T1099-F1218 HydrophobicContact CG2-CD1 3.54Å; T1099-F1218 HydrophobicContact CG2-CE1 3.77Å; G1214-F1218 VanDerWaalsContact O-CB 3.3Å; G1214-F1218 WeakPolarHBondContact O-CB 3.4Å; G1214-F1218 PolarHBondContact O-N 3.37Å; F1218-Y1220 VanDerWaalsContact C-N 3.31Å; F1218-Y1220 PolarHBondContact O-N 2.69Å; F1218-I1221 PolarHBondContact O-N 3.49Å; F1218-L1222 HydrophobicContact CE1-CD2 4.12Å; F1218-L1222 VanDerWaalsContact O-CB 3.25Å; F1218-L1222 WeakPolarHBondContact O-CB 3.2Å; F1218-L1222 PolarHBondContact O-N 3.47Å
1219G94.3Very high90.6Very high0 Ų053.3 Ų53.30%030%0.295CS..Hα-helixtrans-58.5-40.7176.400000112.6Q1096 N1215 L1222 E1223Q1096-G1219 PolarHBondContact NE2-O 2.93Å; N1215-G1219 PolarHBondContact O-N 3.02Å; G1219-L1222 PolarHBondContact O-N 2.96Å; G1219-E1223 PolarHBondContact O-N 3.45Å
1220Y92.2Very high89.4Confident140 Ų14055.4 Ų55.455%0.54932%0.315SS..Hα-helixtrans-66.4-43.7176.2-173.9-95.8000112.8L1216 L1217 F1218 S1224L1216-Y1220 VanDerWaalsContact O-CB 3.3Å; L1216-Y1220 WeakPolarHBondContact O-CB 3.2Å; L1216-Y1220 PolarHBondContact O-N 2.63Å; L1217-Y1220 PolarHBondContact O-N 2.74Å; F1218-Y1220 VanDerWaalsContact C-N 3.31Å; F1218-Y1220 PolarHBondContact O-N 2.69Å; Y1220-S1224 WeakPolarHBondContact O-CB 3.47Å; Y1220-S1224 PolarHBondContact O-N 3.28Å; Y1220-S1224 PolarHBondContact O-OG 3.2Å
1221I92.4Very high88.4Confident95 Ų9556.1 Ų56.149%0.48731%0.307SS..Hα-helixtrans-63.1-45176.5-69.2165.7000110.2L1217 F1218 E1223 S1224 I1225L1217-I1221 WeakPolarHBondContact O-CD1 3.07Å; L1217-I1221 VanDerWaalsContact O-CG1 3.26Å; L1217-I1221 WeakPolarHBondContact O-CG1 3.37Å; L1217-I1221 PolarHBondContact O-N 2.88Å; F1218-I1221 PolarHBondContact O-N 3.49Å; I1221-E1223 PolarHBondContact O-N 2.95Å; I1221-S1224 WeakPolarHBondContact O-CB 3.47Å; I1221-S1224 PolarHBondContact O-N 3.47Å; I1221-I1225 HydrophobicContact CG2-CD1 3.78Å; I1221-I1225 HydrophobicContact CG2-CG1 4.42Å; I1221-I1225 VanDerWaalsContact O-CG1 3.31Å; I1221-I1225 WeakPolarHBondContact O-CG1 3.1Å; I1221-I1225 PolarHBondContact O-N 2.92Å
1222L91.9Very high87.2Confident28 Ų2857.2 Ų57.215%0.14731%0.307CS..Hα-helixtrans-58.5-49.2179.9-173.166.8000111.6L1095 F1218 G1219 S1224 I1225 V1226L1095-L1222 HydrophobicContact CB-CD1 4.44Å; L1095-L1222 HydrophobicContact CB-CD2 3.87Å; L1095-L1222 HydrophobicContact CB-CG 4.29Å; L1095-L1222 HydrophobicContact CD1-CD1 4.24Å; F1218-L1222 HydrophobicContact CE1-CD2 4.12Å; F1218-L1222 VanDerWaalsContact O-CB 3.25Å; F1218-L1222 WeakPolarHBondContact O-CB 3.2Å; F1218-L1222 PolarHBondContact O-N 3.47Å; G1219-L1222 PolarHBondContact O-N 2.96Å; L1222-S1224 VanDerWaalsContact C-N 3.35Å; L1222-S1224 PolarHBondContact O-N 3.45Å; L1222-I1225 PolarHBondContact O-N 3.31Å; L1222-V1226 WeakPolarHBondContact O-CG2 3.4Å; L1222-V1226 PolarHBondContact O-N 3.03Å
1223E91Very high86Confident7 Ų760.8 Ų60.83%0.03332%0.323CS..Hα-helixtrans-65.6-39.8177.3-170.766.6-17200111.5K1023 S1092 V1151 K1154 G1219 I1221 I1225 V1226 D1227K1023-E1223 IonicContact NZ-OE1 2.79Å; S1092-E1223 WeakPolarHBondContact CB-OE2 3.44Å; S1092-E1223 PolarHBondContact OG-OE1 2.79Å; S1092-E1223 PolarHBondContact OG-OE2 3.02Å; V1151-E1223 HydrophobicContact CG1-CB 3.53Å; V1151-E1223 HydrophobicContact CG1-CG 3.85Å; K1154-E1223 WeakPolarHBondContact CE-OE1 3.4Å; K1154-E1223 IonicContact NZ-OE1 2.79Å; K1154-E1223 PolarHBondContact NZ-OE1 2.72Å; G1219-E1223 PolarHBondContact O-N 3.45Å; I1221-E1223 PolarHBondContact O-N 2.95Å; E1223-I1225 VanDerWaalsContact C-N 3.26Å; E1223-I1225 PolarHBondContact O-N 3.18Å; E1223-V1226 PolarHBondContact O-N 3.3Å; E1223-D1227 WeakPolarHBondContact O-CB 3.44Å; E1223-D1227 PolarHBondContact O-N 2.86Å
1224S87.1Confident85Confident58 Ų5864.9 Ų64.941%0.40633%0.331SS..Hα-helixtrans-60.8-35.1176.4-61.10000112.4Y1220 I1221 L1222 G1228Y1220-S1224 WeakPolarHBondContact O-CB 3.47Å; Y1220-S1224 PolarHBondContact O-N 3.28Å; Y1220-S1224 PolarHBondContact O-OG 3.2Å; I1221-S1224 WeakPolarHBondContact O-CB 3.47Å; I1221-S1224 PolarHBondContact O-N 3.47Å; L1222-S1224 VanDerWaalsContact C-N 3.35Å; L1222-S1224 PolarHBondContact O-N 3.45Å; S1224-G1228 PolarHBondContact O-N 2.91Å
1225I86.9Confident84Confident94 Ų9464.1 Ų64.148%0.48232%0.319SS..Hα-helixtrans-71-49.4174.8-68.8166.3000110.6I1221 L1222 E1223 D1227 G1228 F1231I1221-I1225 HydrophobicContact CG2-CD1 3.78Å; I1221-I1225 HydrophobicContact CG2-CG1 4.42Å; I1221-I1225 VanDerWaalsContact O-CG1 3.31Å; I1221-I1225 WeakPolarHBondContact O-CG1 3.1Å; I1221-I1225 PolarHBondContact O-N 2.92Å; L1222-I1225 PolarHBondContact O-N 3.31Å; E1223-I1225 VanDerWaalsContact C-N 3.26Å; E1223-I1225 PolarHBondContact O-N 3.18Å; I1225-D1227 VanDerWaalsContact C-N 3.26Å; I1225-D1227 PolarHBondContact O-N 3.09Å; I1225-G1228 PolarHBondContact O-N 2.94Å; I1225-F1231 HydrophobicContact CG2-CD2 4.4Å; I1225-F1231 WeakPolarHBondContact O-CB 3.48Å
1226V84.5Confident82.7Confident3 Ų369.1 Ų69.12%0.01834%0.337CS..Hα-helixtrans-62.4-35.9-178.4173.90000111.6V1088 L1095 L1222 E1223 G1228 F1231V1088-V1226 HydrophobicContact CG1-CG1 4.1Å; L1095-V1226 HydrophobicContact CD1-CG2 3.87Å; L1222-V1226 WeakPolarHBondContact O-CG2 3.4Å; L1222-V1226 PolarHBondContact O-N 3.03Å; E1223-V1226 PolarHBondContact O-N 3.3Å; V1226-G1228 VanDerWaalsContact C-N 3.34Å; V1226-F1231 HydrophobicContact CB-CD1 4.49Å; V1226-F1231 HydrophobicContact CB-CE1 4.29Å; V1226-F1231 HydrophobicContact CG1-CD1 4.47Å; V1226-F1231 HydrophobicContact CG1-CE1 4.1Å; V1226-F1231 HydrophobicContact CG2-CE1 4.27Å; V1226-F1231 VanDerWaalsContact O-CD1 3.25Å; V1226-F1231 WeakPolarHBondContact O-CD1 3.34Å
1227D75.3Confident81.6Confident32 Ų3272.4 Ų72.417%0.17135%0.351CS..Hα-helixtrans-81-14.2174.4-82.5-22.3000114.9K1154 E1223 I1225 V1229 R1232K1154-D1227 WeakPolarHBondContact CD-OD2 3.19Å; K1154-D1227 WeakPolarHBondContact CE-OD2 3.21Å; K1154-D1227 IonicContact NZ-OD1 3.39Å; K1154-D1227 PolarHBondContact NZ-OD1 2.95Å; K1154-D1227 IonicContact NZ-OD2 2.69Å; K1154-D1227 PolarHBondContact NZ-OD2 2.85Å; E1223-D1227 WeakPolarHBondContact O-CB 3.44Å; E1223-D1227 PolarHBondContact O-N 2.86Å; I1225-D1227 VanDerWaalsContact C-N 3.26Å; I1225-D1227 PolarHBondContact O-N 3.09Å; D1227-V1229 PolarHBondContact O-N 2.92Å; D1227-R1232 PolarHBondContact O-NH1 3.36Å; D1227-R1232 PolarHBondContact O-NH2 3.23Å; D1227-R1232 VanDerWaalsContact O-NH2 3.13Å; D1227-R1232 IonicContact OD1-NH1 2.75Å
1228G75Confident80.7Confident18 Ų1871.9 Ų71.919%0.18635%0.348CS..  trans-52.8135.2-179.800000111.1S1224 I1225 V1226 S1230 F1231 R1232S1224-G1228 PolarHBondContact O-N 2.91Å; I1225-G1228 PolarHBondContact O-N 2.94Å; V1226-G1228 VanDerWaalsContact C-N 3.34Å; G1228-S1230 PolarHBondContact O-N 2.81Å; G1228-F1231 PolarHBondContact O-N 3Å; G1228-R1232 PolarHBondContact O-N 3.03Å
1229V70.4Confident79.4Confident89 Ų8969.3 Ų69.354%0.53934%0.337SS..Hα-helixtrans-57.2-38.9178.5-177.30000110.7D1227 F1231 R1232 Q1233D1227-V1229 PolarHBondContact O-N 2.92Å; V1229-F1231 PolarHBondContact O-N 3.11Å; V1229-R1232 PolarHBondContact O-N 3.23Å; V1229-Q1233 WeakPolarHBondContact O-CB 3.5Å; V1229-Q1233 VanDerWaalsContact O-CG 3.32Å; V1229-Q1233 WeakPolarHBondContact O-CG 3.34Å; V1229-Q1233 PolarHBondContact O-N 3.17Å
1230S70.1Confident78.1Confident89 Ų8975.2 Ų75.262%0.62236%0.36SS*.Hα-helixtrans-58.8-45.1175.654.20000112.1G1228 Q1233 R1234G1228-S1230 PolarHBondContact O-N 2.81Å; S1230-Q1233 PolarHBondContact O-N 2.84Å; S1230-R1234 WeakPolarHBondContact O-CB 3.15Å; S1230-R1234 PolarHBondContact O-N 3.04Å
1231F75.4Confident77.2Confident55 Ų5572.5 Ų72.524%0.24137%0.366CS..Hα-helixtrans-68.3-44.4179.6-173.1-100.5000111.9L1091 I1225 V1226 G1228 V1229 Q1233 R1234 I1235L1091-F1231 HydrophobicContact CD2-CE1 3.73Å; L1091-F1231 HydrophobicContact CD2-CZ 3.58Å; I1225-F1231 HydrophobicContact CG2-CD2 4.4Å; I1225-F1231 WeakPolarHBondContact O-CB 3.48Å; V1226-F1231 HydrophobicContact CB-CD1 4.49Å; V1226-F1231 HydrophobicContact CB-CE1 4.29Å; V1226-F1231 HydrophobicContact CG1-CD1 4.47Å; V1226-F1231 HydrophobicContact CG1-CE1 4.1Å; V1226-F1231 HydrophobicContact CG2-CE1 4.27Å; V1226-F1231 VanDerWaalsContact O-CD1 3.25Å; V1226-F1231 WeakPolarHBondContact O-CD1 3.34Å; G1228-F1231 PolarHBondContact O-N 3Å; V1229-F1231 PolarHBondContact O-N 3.11Å; F1231-Q1233 VanDerWaalsContact C-N 3.3Å; F1231-Q1233 PolarHBondContact O-N 3.26Å; F1231-R1234 PolarHBondContact O-N 3.31Å; F1231-R1234 VanDerWaalsContact O-N 3.16Å; F1231-I1235 HydrophobicContact CD1-CD1 3.77Å; F1231-I1235 HydrophobicContact CD1-CG1 4.29Å; F1231-I1235 HydrophobicContact CE1-CD1 3.11Å; F1231-I1235 HydrophobicContact CE1-CG1 3.92Å; F1231-I1235 HydrophobicContact CE2-CD1 4.44Å; F1231-I1235 HydrophobicContact CZ-CD1 3.51Å; F1231-I1235 HydrophobicContact CZ-CG1 4.06Å; F1231-I1235 PolarHBondContact O-N 3Å
1232R72.2Confident76.3Confident75 Ų7573.4 Ų73.428%0.28337%0.372SS..Hα-helixtrans-58-42.2174-74.7-163-76.3-111.91112.2V1088 D1227 G1228 V1229 R1236V1088-R1232 HydrophobicContact CG2-CG 4.35Å; D1227-R1232 PolarHBondContact O-NH1 3.36Å; D1227-R1232 PolarHBondContact O-NH2 3.23Å; D1227-R1232 VanDerWaalsContact O-NH2 3.13Å; D1227-R1232 IonicContact OD1-NH1 2.75Å; G1228-R1232 PolarHBondContact O-N 3.03Å; V1229-R1232 PolarHBondContact O-N 3.23Å; R1232-R1236 WeakPolarHBondContact O-CG 3.2Å; R1232-R1236 PolarHBondContact O-N 3.21Å
1233Q70.8Confident75.2Confident91 Ų9178.2 Ų78.243%0.42539%0.391SS..Hα-helixtrans-64.8-42.6176.5-74.7175.3-6.400111.6V1229 S1230 F1231 R1236 H1237V1229-Q1233 WeakPolarHBondContact O-CB 3.5Å; V1229-Q1233 VanDerWaalsContact O-CG 3.32Å; V1229-Q1233 WeakPolarHBondContact O-CG 3.34Å; V1229-Q1233 PolarHBondContact O-N 3.17Å; S1230-Q1233 PolarHBondContact O-N 2.84Å; F1231-Q1233 VanDerWaalsContact C-N 3.3Å; F1231-Q1233 PolarHBondContact O-N 3.26Å; Q1233-R1236 PolarHBondContact O-N 3.24Å; Q1233-H1237 PolarHBondContact O-N 3.2Å; Q1233-H1237 PolarHBondContact O-ND1 3.3Å
1234R75.8Confident73.6Confident186 Ų18682.8 Ų82.870%0.70242%0.422SS*.Hα-helixtrans-66.8-42.8179.8-153.2170.6-167.3172.72.2112.3S1230 F1231 R1236 H1237 I1238S1230-R1234 WeakPolarHBondContact O-CB 3.15Å; S1230-R1234 PolarHBondContact O-N 3.04Å; F1231-R1234 PolarHBondContact O-N 3.31Å; F1231-R1234 VanDerWaalsContact O-N 3.16Å; R1234-R1236 VanDerWaalsContact C-N 3.34Å; R1234-R1236 PolarHBondContact O-N 3Å; R1234-H1237 WeakPolarHBondContact O-CB 3.4Å; R1234-H1237 PolarHBondContact O-N 3.31Å; R1234-H1237 VanDerWaalsContact O-N 3.16Å; R1234-I1238 WeakPolarHBondContact O-CG1 3.24Å; R1234-I1238 PolarHBondContact O-N 2.88Å
1235I75.6Confident71.9Confident19 Ų1991.5 Ų91.510%0.09745%0.446CS..Hα-helixtrans-58.5-46.3171.7-80.8-175.1000110.8L1091 F1231 H1237 I1238 Q1239L1091-I1235 HydrophobicContact CD2-CD1 3.81Å; F1231-I1235 HydrophobicContact CD1-CD1 3.77Å; F1231-I1235 HydrophobicContact CD1-CG1 4.29Å; F1231-I1235 HydrophobicContact CE1-CD1 3.11Å; F1231-I1235 HydrophobicContact CE1-CG1 3.92Å; F1231-I1235 HydrophobicContact CE2-CD1 4.44Å; F1231-I1235 HydrophobicContact CZ-CD1 3.51Å; F1231-I1235 HydrophobicContact CZ-CG1 4.06Å; F1231-I1235 PolarHBondContact O-N 3Å; I1235-H1237 VanDerWaalsContact C-N 3.25Å; I1235-H1237 PolarHBondContact O-N 3.13Å; I1235-I1238 PolarHBondContact O-N 3.44Å; I1235-Q1239 HydrophobicContact CG2-CG 4.17Å; I1235-Q1239 WeakPolarHBondContact O-CB 3.35Å; I1235-Q1239 VanDerWaalsContact O-CG 3.32Å; I1235-Q1239 WeakPolarHBondContact O-CG 3.1Å; I1235-Q1239 PolarHBondContact O-N 2.97Å
1236R68.8Low70Confident110 Ų11094.7 Ų94.742%0.41546%0.458SS..Hα-helixtrans-59.5-38.1177.3-75.8-174-133.3169.20.5111.8R1232 Q1233 R1234 R1240R1232-R1236 WeakPolarHBondContact O-CG 3.2Å; R1232-R1236 PolarHBondContact O-N 3.21Å; Q1233-R1236 PolarHBondContact O-N 3.24Å; R1234-R1236 VanDerWaalsContact C-N 3.34Å; R1234-R1236 PolarHBondContact O-N 3Å; R1236-R1240 WeakPolarHBondContact O-CB 3.41Å; R1236-R1240 VanDerWaalsContact O-CG 3.25Å; R1236-R1240 WeakPolarHBondContact O-CG 3.4Å; R1236-R1240 PolarHBondContact O-N 3.29Å
1237H71.6Confident68.3Low121 Ų12198.2 Ų98.256%0.5648%0.479SS*.Hα-helixtrans-65.7-45.6175.7-78.665.7000111.8Q1233 R1234 I1235 Q1239 R1240 A1241Q1233-H1237 PolarHBondContact O-N 3.2Å; Q1233-H1237 PolarHBondContact O-ND1 3.3Å; R1234-H1237 WeakPolarHBondContact O-CB 3.4Å; R1234-H1237 PolarHBondContact O-N 3.31Å; R1234-H1237 VanDerWaalsContact O-N 3.16Å; I1235-H1237 VanDerWaalsContact C-N 3.25Å; I1235-H1237 PolarHBondContact O-N 3.13Å; H1237-Q1239 VanDerWaalsContact C-N 3.34Å; H1237-Q1239 PolarHBondContact O-N 3.37Å; H1237-R1240 PolarHBondContact O-N 3.25Å; H1237-A1241 WeakPolarHBondContact O-CB 3.36Å; H1237-A1241 PolarHBondContact O-N 2.84Å
1238I77.5Confident67Low90 Ų90101.5 Ų101.546%0.46251%0.505SS..Hα-helixtrans-61.6-43.6177.1-67.8165.1000110.8R1234 I1235 R1240 A1241 L1242R1234-I1238 WeakPolarHBondContact O-CG1 3.24Å; R1234-I1238 PolarHBondContact O-N 2.88Å; I1235-I1238 PolarHBondContact O-N 3.44Å; I1238-R1240 PolarHBondContact O-N 2.78Å; I1238-A1241 PolarHBondContact O-N 2.9Å; I1238-L1242 HydrophobicContact CG2-CD1 3.53Å; I1238-L1242 HydrophobicContact CG2-CG 4.27Å; I1238-L1242 WeakPolarHBondContact O-CB 3.49Å; I1238-L1242 WeakPolarHBondContact O-CG 3.5Å; I1238-L1242 PolarHBondContact O-N 3.26Å
1239Q68.5Low66.1Low56 Ų56105.9 Ų105.926%0.26252%0.516SS..Hα-helixtrans-63-41.1176.8-74.8179.4-27.200112.2T1087 I1235 H1237 A1241 F1243T1087-Q1239 PolarHBondContact OG1-NE2 3.04Å; I1235-Q1239 HydrophobicContact CG2-CG 4.17Å; I1235-Q1239 WeakPolarHBondContact O-CB 3.35Å; I1235-Q1239 VanDerWaalsContact O-CG 3.32Å; I1235-Q1239 WeakPolarHBondContact O-CG 3.1Å; I1235-Q1239 PolarHBondContact O-N 2.97Å; H1237-Q1239 VanDerWaalsContact C-N 3.34Å; H1237-Q1239 PolarHBondContact O-N 3.37Å; Q1239-A1241 VanDerWaalsContact C-N 3.3Å; Q1239-A1241 PolarHBondContact O-N 2.95Å; Q1239-F1243 CarbonylContact O-C 3.5Å; Q1239-F1243 WeakPolarHBondContact O-CA 3.27Å; Q1239-F1243 PolarHBondContact O-N 3.41Å
1240R67Low66.2Low124 Ų124105.6 Ų105.647%0.46851%0.507SS..Hα-helixtrans-65.1-35174.5-74.3174.5-174.9175.30.2112.1R1236 H1237 I1238 V1247R1236-R1240 WeakPolarHBondContact O-CB 3.41Å; R1236-R1240 VanDerWaalsContact O-CG 3.25Å; R1236-R1240 WeakPolarHBondContact O-CG 3.4Å; R1236-R1240 PolarHBondContact O-N 3.29Å; H1237-R1240 PolarHBondContact O-N 3.25Å; I1238-R1240 PolarHBondContact O-N 2.78Å; R1240-V1247 HydrophobicContact CG-CG2 4.46Å
1241A72.7Confident66.7Low83 Ų83105.9 Ų105.969%0.68650%0.502SS*.Hα-helixtrans-72.6-41.717700000112.6H1237 I1238 Q1239H1237-A1241 WeakPolarHBondContact O-CB 3.36Å; H1237-A1241 PolarHBondContact O-N 2.84Å; I1238-A1241 PolarHBondContact O-N 2.9Å; Q1239-A1241 VanDerWaalsContact C-N 3.3Å; Q1239-A1241 PolarHBondContact O-N 2.95Å
1242L73.5Confident67.2Low114 Ų114104.6 Ų104.660%0.59750%0.496SS*.Hα-helixtrans-82.1-35.7-177.4-72.3169.7000113.3I1238I1238-L1242 HydrophobicContact CG2-CD1 3.53Å; I1238-L1242 HydrophobicContact CG2-CG 4.27Å; I1238-L1242 WeakPolarHBondContact O-CB 3.49Å; I1238-L1242 WeakPolarHBondContact O-CG 3.5Å; I1238-L1242 PolarHBondContact O-N 3.26Å
1243F70.2Confident67.7Low129 Ų129104.3 Ų104.357%0.56650%0.498SS*.  trans-135.167-173.3-59.2-75.2000112Q1239 R1245 H1246Q1239-F1243 CarbonylContact O-C 3.5Å; Q1239-F1243 WeakPolarHBondContact O-CA 3.27Å; Q1239-F1243 PolarHBondContact O-N 3.41Å; F1243-R1245 PolarHBondContact O-N 3.31Å; F1243-R1245 VanDerWaalsContact O-N 3.15Å; F1243-H1246 HydrophobicContact CB-CB 4.37Å; F1243-H1246 PolarHBondContact O-N 3.4Å
1244P56.7Low68.1Low103 Ų103105 Ų10567%0.66950%0.501SS*.THydrogen-bonded Turntrans-60-29.4-176.421-31.5000113.4
1245R52.4Low68.5Low241 Ų24197 Ų9791%0.90947%0.472SS*.THydrogen-bonded Turntrans-83.1-11.5-176.8-71.3-174.9174.3167.5-1.3115.7F1243F1243-R1245 PolarHBondContact O-N 3.31Å; F1243-R1245 VanDerWaalsContact O-N 3.15Å
1246H46.9Very low68.9Low161 Ų161102 Ų10275%0.74549%0.489SS*.THydrogen-bonded Turntrans-109.3-4.8-167.8-90.778.7000115.9F1243 S1248F1243-H1246 HydrophobicContact CB-CB 4.37Å; F1243-H1246 PolarHBondContact O-N 3.4Å; H1246-S1248 PolarHBondContact O-N 2.93Å
1247V47.6Very low69.3Low76 Ų7699.3 Ų99.346%0.46148%0.483SS..  trans-7981.7172.4-171.50000107.9R1240 R1249R1240-V1247 HydrophobicContact CG-CG2 4.46Å; V1247-R1249 VanDerWaalsContact C-N 3.3Å; V1247-R1249 PolarHBondContact O-N 3.23Å
1248S49.2Very low69.8Low101 Ų10196.6 Ų96.671%0.70647%0.471SS*.  trans-57.996.9168.4165.70000107.8H1246H1246-S1248 PolarHBondContact O-N 2.93Å
1249R55.9Low69.9Low111 Ų11192.4 Ų92.442%0.41945%0.449SS..  trans-64.5148.5164.1-77.9179.2166.8-170.5-12.4107.5V1247 D1257V1247-R1249 VanDerWaalsContact C-N 3.3Å; V1247-R1249 PolarHBondContact O-N 3.23Å; R1249-D1257 IonicContact CZ-OD2 3.94Å; R1249-D1257 IonicContact NH1-OD2 2.88Å; R1249-D1257 PolarHBondContact NH1-OD2 2.96Å; R1249-D1257 IonicContact NH2-OD2 3.83Å
1250K72.4Confident70.3Confident82 Ų8293.3 Ų93.336%0.35746%0.456SS..  trans-69.4142.8176.6-58179.7-170.4171.50108.2Y1252 E1253 H1254K1250-Y1252 VanDerWaalsContact C-N 3.26Å; K1250-Y1252 HydrophobicContact CB-CD1 3.82Å; K1250-Y1252 HydrophobicContact CB-CE1 3.55Å; K1250-Y1252 HydrophobicContact CD-CD1 4.4Å; K1250-Y1252 HydrophobicContact CD-CE1 3.38Å; K1250-Y1252 WeakPolarHBondContact CD-OH 3.39Å; K1250-Y1252 HydrophobicContact CG-CE1 4.14Å; K1250-Y1252 PolarHBondContact NZ-OH 2.95Å; K1250-Y1252 PolarHBondContact O-N 2.8Å; K1250-E1253 HydrophobicContact CB-CG 4.29Å; K1250-E1253 WeakPolarHBondContact O-CA 3.48Å; K1250-E1253 WeakPolarHBondContact O-CB 3.35Å; K1250-E1253 PolarHBondContact O-N 2.88Å; K1250-H1254 PolarHBondContact O-N 2.97Å
1251D80Confident70.7Confident96 Ų9696.7 Ų96.751%0.51347%0.468SS..Hα-helixtrans-58.6-38.6-170.5-57.8-37.7000112.2E1253 H1254 I1255D1251-E1253 VanDerWaalsContact C-N 3.27Å; D1251-E1253 PolarHBondContact O-N 3.32Å; D1251-H1254 WeakPolarHBondContact O-CB 3.43Å; D1251-H1254 PolarHBondContact O-N 3.23Å; D1251-H1254 VanDerWaalsContact O-N 3.14Å; D1251-I1255 WeakPolarHBondContact O-CD1 3.3Å; D1251-I1255 VanDerWaalsContact O-CG1 3.23Å; D1251-I1255 WeakPolarHBondContact O-CG1 3.33Å; D1251-I1255 PolarHBondContact O-N 2.9Å
1252Y85.7Confident70.8Confident27 Ų2795.4 Ų95.411%0.10645%0.45CS..Hα-helixtrans-60-31.2173.975.9-101.3000114.1N401 V957 Y959 K1250 R1256N401-Y1252 PolarHBondContact ND2-OH 3.35Å; V957-Y1252 WeakPolarHBondContact O-CB 3.23Å; V957-Y1252 PolarHBondContact O-N 2.78Å; Y959-Y1252 AromaticContact CD1-CD1 3.81Å; Y959-Y1252 HydrophobicContact CD1-CD1 3.81Å; Y959-Y1252 HydrophobicContact CD1-CD2 4.34Å; Y959-Y1252 HydrophobicContact CD1-CE1 4Å; Y959-Y1252 HydrophobicContact CD1-CG 4.01Å; Y959-Y1252 HydrophobicContact CD2-CD1 4.48Å; Y959-Y1252 HydrophobicContact CD2-CG 4.39Å; Y959-Y1252 AromaticContact CE1-CD1 3.83Å; Y959-Y1252 HydrophobicContact CE1-CD1 3.83Å; Y959-Y1252 AromaticContact CE1-CD2 3.53Å; Y959-Y1252 HydrophobicContact CE1-CD2 3.53Å; Y959-Y1252 HydrophobicContact CE1-CE1 4.1Å; Y959-Y1252 AromaticContact CE1-CE2 3.88Å; Y959-Y1252 HydrophobicContact CE1-CE2 3.88Å; Y959-Y1252 AromaticContact CE1-CG 3.55Å; Y959-Y1252 HydrophobicContact CE1-CG 3.55Å; Y959-Y1252 HydrophobicContact CE2-CD1 4.48Å; Y959-Y1252 HydrophobicContact CE2-CD2 4.47Å; Y959-Y1252 AromaticContact CE2-CG 3.96Å; Y959-Y1252 HydrophobicContact CE2-CG 3.96Å; Y959-Y1252 HydrophobicContact CG-CD1 4.17Å; Y959-Y1252 HydrophobicContact CG-CG 4.42Å; Y959-Y1252 AromaticContact CZ-CD2 3.61Å; Y959-Y1252 AromaticContact CZ-CG 3.52Å; K1250-Y1252 VanDerWaalsContact C-N 3.26Å; K1250-Y1252 HydrophobicContact CB-CD1 3.82Å; K1250-Y1252 HydrophobicContact CB-CE1 3.55Å; K1250-Y1252 HydrophobicContact CD-CD1 4.4Å; K1250-Y1252 HydrophobicContact CD-CE1 3.38Å; K1250-Y1252 WeakPolarHBondContact CD-OH 3.39Å; K1250-Y1252 HydrophobicContact CG-CE1 4.14Å; K1250-Y1252 PolarHBondContact NZ-OH 2.95Å; K1250-Y1252 PolarHBondContact O-N 2.8Å; Y1252-R1256 VanDerWaalsContact O-CB 3.29Å; Y1252-R1256 WeakPolarHBondContact O-CB 3.48Å; Y1252-R1256 PolarHBondContact O-N 2.62Å
1253E82.1Confident70.6Confident70 Ų7093.5 Ų93.533%0.32745%0.451SS..Hα-helixtrans-72.8-40.3176.4-62.3177.6172.500110.2K1250 D1251 R1256 D1257K1250-E1253 HydrophobicContact CB-CG 4.29Å; K1250-E1253 WeakPolarHBondContact O-CA 3.48Å; K1250-E1253 WeakPolarHBondContact O-CB 3.35Å; K1250-E1253 PolarHBondContact O-N 2.88Å; D1251-E1253 VanDerWaalsContact C-N 3.27Å; D1251-E1253 PolarHBondContact O-N 3.32Å; E1253-R1256 PolarHBondContact O-N 2.81Å; E1253-D1257 WeakPolarHBondContact O-CB 3.09Å; E1253-D1257 PolarHBondContact O-N 2.89Å
1254H81Confident70.5Confident106 Ų10689.5 Ų89.549%0.49145%0.446SS..Hα-helixtrans-62.6-45.2174.1-176.7-84.3000111.2K1250 D1251 R1256 D1257 E1258K1250-H1254 PolarHBondContact O-N 2.97Å; D1251-H1254 WeakPolarHBondContact O-CB 3.43Å; D1251-H1254 PolarHBondContact O-N 3.23Å; D1251-H1254 VanDerWaalsContact O-N 3.14Å; H1254-R1256 VanDerWaalsContact C-N 3.34Å; H1254-R1256 PolarHBondContact O-N 2.8Å; H1254-D1257 PolarHBondContact O-N 3.06Å; H1254-E1258 WeakPolarHBondContact O-CB 3.37Å; H1254-E1258 PolarHBondContact O-N 3.45Å
1255I83.4Confident71.1Confident17 Ų1789.9 Ų89.99%0.08745%0.446CS..Hα-helixtrans-63.5-41.7177.5-65.8159.8000110.6P930 K931 V934 V957 D1251 E1258 I1259P930-I1255 HydrophobicContact CB-CD1 3.61Å; P930-I1255 HydrophobicContact CB-CG1 4.49Å; K931-I1255 HydrophobicContact CB-CG2 4.5Å; K931-I1255 HydrophobicContact CG-CG2 4.03Å; V934-I1255 HydrophobicContact CB-CG2 4.08Å; V934-I1255 HydrophobicContact CG1-CG2 4.28Å; V934-I1255 HydrophobicContact CG2-CB 4.19Å; V934-I1255 HydrophobicContact CG2-CD1 4.3Å; V934-I1255 HydrophobicContact CG2-CG2 3.87Å; V957-I1255 HydrophobicContact CB-CD1 4.18Å; V957-I1255 HydrophobicContact CG1-CD1 3.85Å; D1251-I1255 WeakPolarHBondContact O-CD1 3.3Å; D1251-I1255 VanDerWaalsContact O-CG1 3.23Å; D1251-I1255 WeakPolarHBondContact O-CG1 3.33Å; D1251-I1255 PolarHBondContact O-N 2.9Å; I1255-E1258 PolarHBondContact O-N 3.15Å; I1255-I1259 HydrophobicContact CG2-CD1 3.85Å; I1255-I1259 HydrophobicContact CG2-CG1 4.49Å; I1255-I1259 WeakPolarHBondContact O-CB 3.3Å; I1255-I1259 WeakPolarHBondContact O-CD1 3.4Å; I1255-I1259 WeakPolarHBondContact O-CG1 3.41Å; I1255-I1259 PolarHBondContact O-N 3.42Å
1256R83.2Confident72.1Confident125 Ų12579.3 Ų79.347%0.47241%0.406SS..Hα-helixtrans-63-46.9175.8-174.1175.9-179.11614.5111.7V934 Y1252 E1253 H1254 E1258 I1259 D1260V934-R1256 HydrophobicContact CG1-CB 4.23Å; Y1252-R1256 VanDerWaalsContact O-CB 3.29Å; Y1252-R1256 WeakPolarHBondContact O-CB 3.48Å; Y1252-R1256 PolarHBondContact O-N 2.62Å; E1253-R1256 PolarHBondContact O-N 2.81Å; H1254-R1256 VanDerWaalsContact C-N 3.34Å; H1254-R1256 PolarHBondContact O-N 2.8Å; R1256-E1258 VanDerWaalsContact C-N 3.3Å; R1256-E1258 PolarHBondContact O-N 3.09Å; R1256-I1259 PolarHBondContact O-N 3.22Å; R1256-D1260 WeakPolarHBondContact O-CB 3.42Å; R1256-D1260 PolarHBondContact O-N 2.91Å
1257D78.9Confident73.5Confident53 Ų5371.7 Ų71.728%0.28337%0.371SS..Hα-helixtrans-62-38.2176.1-78.40.4000111.6R1249 E1253 H1254 D1260 R1261R1249-D1257 IonicContact CZ-OD2 3.94Å; R1249-D1257 IonicContact NH1-OD2 2.88Å; R1249-D1257 PolarHBondContact NH1-OD2 2.96Å; R1249-D1257 IonicContact NH2-OD2 3.83Å; E1253-D1257 WeakPolarHBondContact O-CB 3.09Å; E1253-D1257 PolarHBondContact O-N 2.89Å; H1254-D1257 PolarHBondContact O-N 3.06Å; D1257-D1260 PolarHBondContact O-N 3.11Å; D1257-R1261 WeakPolarHBondContact O-CB 3.43Å; D1257-R1261 WeakPolarHBondContact O-CG 3.39Å; D1257-R1261 PolarHBondContact O-N 2.58Å
1258E81.2Confident74.7Confident64 Ų6470 Ų7030%0.29936%0.361SS..Hα-helixtrans-63.3-46174.9-171.8-167.2150.300110.9K931 H1254 I1255 R1256 D1260 R1261 L1262K931-E1258 WeakPolarHBondContact CE-OE1 3.5Å; K931-E1258 IonicContact NZ-OE1 3.22Å; K931-E1258 PolarHBondContact NZ-OE1 2.84Å; H1254-E1258 WeakPolarHBondContact O-CB 3.37Å; H1254-E1258 PolarHBondContact O-N 3.45Å; I1255-E1258 PolarHBondContact O-N 3.15Å; R1256-E1258 VanDerWaalsContact C-N 3.3Å; R1256-E1258 PolarHBondContact O-N 3.09Å; E1258-D1260 VanDerWaalsContact C-N 3.33Å; E1258-D1260 PolarHBondContact O-N 3.07Å; E1258-R1261 PolarHBondContact O-N 3.36Å; E1258-L1262 HydrophobicContact CG-CD1 4.05Å; E1258-L1262 WeakPolarHBondContact O-CB 3.3Å; E1258-L1262 VanDerWaalsContact O-CG 3.22Å; E1258-L1262 WeakPolarHBondContact O-CG 3.14Å; E1258-L1262 PolarHBondContact O-N 2.9Å
1259I80.6Confident75.4Confident2 Ų267 Ų671%0.0134%0.337CS..Hα-helixtrans-60.7-44.5175.6-70.5165.4000110.8F909 K931 V934 K935 I1255 R1256 R1261 L1262 A1263 W1266F909-I1259 HydrophobicContact CZ-CG2 4.09Å; K931-I1259 HydrophobicContact CB-CD1 4.21Å; K931-I1259 HydrophobicContact CG-CD1 4.37Å; K931-I1259 HydrophobicContact CG-CG1 4.47Å; V934-I1259 HydrophobicContact CG1-CD1 4.48Å; K935-I1259 HydrophobicContact CG-CD1 3.77Å; K935-I1259 HydrophobicContact CG-CG2 4.35Å; I1255-I1259 HydrophobicContact CG2-CD1 3.85Å; I1255-I1259 HydrophobicContact CG2-CG1 4.49Å; I1255-I1259 WeakPolarHBondContact O-CB 3.3Å; I1255-I1259 WeakPolarHBondContact O-CD1 3.4Å; I1255-I1259 WeakPolarHBondContact O-CG1 3.41Å; I1255-I1259 PolarHBondContact O-N 3.42Å; R1256-I1259 PolarHBondContact O-N 3.22Å; I1259-R1261 VanDerWaalsContact C-N 3.33Å; I1259-R1261 PolarHBondContact O-N 3.27Å; I1259-L1262 CarbonylContact O-C 3.57Å; I1259-L1262 PolarHBondContact O-N 3.4Å; I1259-L1262 VanDerWaalsContact O-N 3.16Å; I1259-A1263 PolarHBondContact O-N 3.05Å; I1259-A1263 VanDerWaalsContact O-N 3.07Å; I1259-W1266 HydrophobicContact CB-CE3 4.2Å; I1259-W1266 HydrophobicContact CB-CZ3 4.22Å; I1259-W1266 HydrophobicContact CD1-CE3 4.38Å; I1259-W1266 HydrophobicContact CD1-CH2 3.98Å; I1259-W1266 HydrophobicContact CD1-CZ3 3.69Å; I1259-W1266 HydrophobicContact CG1-CE3 3.8Å; I1259-W1266 HydrophobicContact CG1-CH2 4.24Å; I1259-W1266 HydrophobicContact CG1-CZ3 3.63Å; I1259-W1266 HydrophobicContact CG2-CE3 3.59Å; I1259-W1266 HydrophobicContact CG2-CZ3 3.57Å
1260D76.5Confident75.5Confident74 Ų7465.1 Ų65.140%0.39633%0.334SS..Hα-helixtrans-68.3-32.7180-64.9-15.7000111.3K935 R1256 D1257 E1258 A1263K935-D1260 IonicContact NZ-OD1 3.76Å; R1256-D1260 WeakPolarHBondContact O-CB 3.42Å; R1256-D1260 PolarHBondContact O-N 2.91Å; D1257-D1260 PolarHBondContact O-N 3.11Å; E1258-D1260 VanDerWaalsContact C-N 3.33Å; E1258-D1260 PolarHBondContact O-N 3.07Å; D1260-A1263 WeakPolarHBondContact O-CB 3.33Å; D1260-A1263 PolarHBondContact O-N 2.86Å
1261R75.7Confident74.6Confident195 Ų19569.2 Ų69.274%0.73635%0.347SS*.Hα-helixtrans-70.1-32.3170.7-75.4171.8-173.1-1793.7113D1257 E1258 I1259 A1263D1257-R1261 WeakPolarHBondContact O-CB 3.43Å; D1257-R1261 WeakPolarHBondContact O-CG 3.39Å; D1257-R1261 PolarHBondContact O-N 2.58Å; E1258-R1261 PolarHBondContact O-N 3.36Å; I1259-R1261 VanDerWaalsContact C-N 3.33Å; I1259-R1261 PolarHBondContact O-N 3.27Å; R1261-A1263 PolarHBondContact O-N 3.08Å
1262L74.3Confident73.2Confident56 Ų5666.9 Ų66.929%0.29334%0.339SS..THydrogen-bonded Turntrans-847.1174.7-66.3172.4000112.2E1258 I1259 G1264 V1265 W1266E1258-L1262 HydrophobicContact CG-CD1 4.05Å; E1258-L1262 WeakPolarHBondContact O-CB 3.3Å; E1258-L1262 VanDerWaalsContact O-CG 3.22Å; E1258-L1262 WeakPolarHBondContact O-CG 3.14Å; E1258-L1262 PolarHBondContact O-N 2.9Å; I1259-L1262 CarbonylContact O-C 3.57Å; I1259-L1262 PolarHBondContact O-N 3.4Å; I1259-L1262 VanDerWaalsContact O-N 3.16Å; L1262-G1264 PolarHBondContact O-N 2.83Å; L1262-G1264 VanDerWaalsContact O-N 3.15Å; L1262-V1265 WeakPolarHBondContact O-CA 3.45Å; L1262-V1265 PolarHBondContact O-N 3.22Å; L1262-W1266 HydrophobicContact CB-CB 3.73Å; L1262-W1266 HydrophobicContact CD1-CB 4.2Å; L1262-W1266 PolarHBondContact O-N 3.05Å
1263A69.5Low71.4Confident75 Ų7566 Ų6662%0.6234%0.337SS*.BIsolated β-bridgetrans-53.3122.2178.600000110.8I1259 D1260 R1261I1259-A1263 PolarHBondContact O-N 3.05Å; I1259-A1263 VanDerWaalsContact O-N 3.07Å; D1260-A1263 WeakPolarHBondContact O-CB 3.33Å; D1260-A1263 PolarHBondContact O-N 2.86Å; R1261-A1263 PolarHBondContact O-N 3.08Å
1264G66.8Low69.9Low45 Ų4564.4 Ų64.446%0.46433%0.334SS..THydrogen-bonded Turntrans97.4-16.7-174.800000115L1262L1262-G1264 PolarHBondContact O-N 2.83Å; L1262-G1264 VanDerWaalsContact O-N 3.15Å
1265V70.9Confident68.5Low110 Ų11059.8 Ų59.867%0.66731%0.313SS*.THydrogen-bonded Turntrans-107.6-42.3171-177.30000110.6L1262 P1267 P1268L1262-V1265 WeakPolarHBondContact O-CA 3.45Å; L1262-V1265 PolarHBondContact O-N 3.22Å; V1265-P1267 CarbonylContact O-C 3.6Å; V1265-P1268 WeakPolarHBondContact O-CA 3.18Å
1266W73.2Confident66.7Low20 Ų2065.2 Ų65.28%0.07634%0.338CS..BIsolated β-bridgetrans-116.3139.3177.9-164.491.2000111.1F909 L911 K931 K935 I1259 L1262F909-W1266 HydrophobicContact CE2-CZ3 4.12Å; F909-W1266 HydrophobicContact CZ-CE3 4.2Å; F909-W1266 AromaticContact CZ-CZ3 3.83Å; F909-W1266 HydrophobicContact CZ-CZ3 3.83Å; L911-W1266 HydrophobicContact CD1-CH2 3.96Å; K931-W1266 HydrophobicContact CB-CH2 3.84Å; K931-W1266 HydrophobicContact CB-CZ2 3.59Å; K931-W1266 HydrophobicContact CD-CZ2 4.09Å; K931-W1266 HydrophobicContact CG-CZ2 4.41Å; K935-W1266 HydrophobicContact CG-CZ3 4.34Å; I1259-W1266 HydrophobicContact CB-CE3 4.2Å; I1259-W1266 HydrophobicContact CB-CZ3 4.22Å; I1259-W1266 HydrophobicContact CD1-CE3 4.38Å; I1259-W1266 HydrophobicContact CD1-CH2 3.98Å; I1259-W1266 HydrophobicContact CD1-CZ3 3.69Å; I1259-W1266 HydrophobicContact CG1-CE3 3.8Å; I1259-W1266 HydrophobicContact CG1-CH2 4.24Å; I1259-W1266 HydrophobicContact CG1-CZ3 3.63Å; I1259-W1266 HydrophobicContact CG2-CE3 3.59Å; I1259-W1266 HydrophobicContact CG2-CZ3 3.57Å; L1262-W1266 HydrophobicContact CB-CB 3.73Å; L1262-W1266 HydrophobicContact CD1-CB 4.2Å; L1262-W1266 PolarHBondContact O-N 3.05Å
1267P76.8Confident64.9Low1 Ų162.7 Ų62.71%0.00634%0.344CS..SBendcis-65.1145.2-8.627.5-33.6000110.9I671 F762 F909 V1265 I1269I671-P1267 HydrophobicContact CD1-CG 3.48Å; I671-P1267 VanDerWaalsContact CD1-CG 3.48Å; F762-P1267 HydrophobicContact CB-CB 4.18Å; F762-P1267 HydrophobicContact CD1-CB 3.53Å; F762-P1267 HydrophobicContact CD1-CG 4.49Å; F762-P1267 HydrophobicContact CD2-CB 4.32Å; F762-P1267 HydrophobicContact CE1-CB 3.92Å; F762-P1267 HydrophobicContact CG-CB 3.75Å; F762-P1267 HydrophobicContact CZ-CB 4.47Å; F909-P1267 HydrophobicContact CD2-CG 4.43Å; F909-P1267 HydrophobicContact CE2-CG 3.98Å; F909-P1267 VanDerWaalsContact CZ-CD 3.47Å; F909-P1267 HydrophobicContact CZ-CG 4.22Å; V1265-P1267 CarbonylContact O-C 3.6Å; P1267-I1269 VanDerWaalsContact C-N 3.31Å; P1267-I1269 HydrophobicContact CG-CG1 4.36Å; P1267-I1269 PolarHBondContact O-N 2.77Å
1268P72Confident63.7Low39 Ų3960.4 Ų60.425%0.25333%0.332SS..  trans-69.690.3176.427.8-32.6000108.9F762 V1265 I1270F762-P1268 HydrophobicContact CD2-CG 3.82Å; F762-P1268 HydrophobicContact CE2-CG 3.98Å; V1265-P1268 WeakPolarHBondContact O-CA 3.18Å; P1268-I1270 PolarHBondContact O-N 3.16Å
1269I63.2Low62.2Low39 Ų3959 Ų5920%0.233%0.328CS..EExtended strand (participates in β ladder)trans-72.2112179.9-56.6-178000108.2I671 M903 P1267I671-I1269 HydrophobicContact CD1-CD1 4.02Å; I671-I1269 HydrophobicContact CD1-CG1 4.39Å; M903-I1269 HydrophobicContact CE-CD1 3.34Å; M903-I1269 HydrophobicContact CE-CG1 3.89Å; M903-I1269 HydrophobicContact CG-CD1 4.48Å; M903-I1269 HydrophobicContact SD-CD1 3.73Å; P1267-I1269 VanDerWaalsContact C-N 3.31Å; P1267-I1269 HydrophobicContact CG-CG1 4.36Å; P1267-I1269 PolarHBondContact O-N 2.77Å
1270I58.1Low60.7Low71 Ų7168.1 Ų68.136%0.36436%0.362SS..EExtended strand (participates in β ladder)trans-83.7-37.9-175.4-56.3179.8000110.9E761 F762 P1268E761-I1270 HydrophobicContact CB-CD1 3.9Å; E761-I1270 HydrophobicContact CG-CD1 3.81Å; F762-I1270 PolarHBondContact O-N 2.81Å; P1268-I1270 PolarHBondContact O-N 3.16Å
1271R53.2Low59.4Low168 Ų16870.3 Ų70.363%0.63437%0.37SS*.EExtended strand (participates in β ladder)trans-148.7140.5-179.1-68.1-178.4-177.1172.90.7110.7Y764Y764-R1271 PolarHBondContact N-O 2.79Å
1272S50.7Low58.3Low47 Ų4762 Ų6233%0.32934%0.34SS..EExtended strand (participates in β ladder)trans-78.5127.9148.962.60000108.1E766E766-S1272 WeakPolarHBondContact OE1-CB 3.47Å; E766-S1272 PolarHBondContact OE1-OG 2.8Å
1273A48.3Very low57.3Low9 Ų960.9 Ų60.97%0.07433%0.333CS..EExtended strand (participates in β ladder)trans-130.5134.9-177.400000108.2Y764 A1277 L1278Y764-A1273 PolarHBondContact O-N 3.21Å; Y764-A1273 VanDerWaalsContact O-N 3.12Å; A1273-A1277 HydrophobicContact CB-CB 4.21Å; A1273-L1278 HydrophobicContact CB-CD2 4.05Å; A1273-L1278 HydrophobicContact CB-CG 4.17Å
1274S49.8Very low56Low36 Ų3660.1 Ų60.125%0.25232%0.319SS..  trans-57149.1160.174.80000107.9D767 Q1276 A1277 L1278D767-S1274 VanDerWaalsContact CG-CA 3.48Å; D767-S1274 WeakPolarHBondContact OD1-CA 3.33Å; D767-S1274 WeakPolarHBondContact OD1-CB 3.44Å; D767-S1274 WeakPolarHBondContact OD2-CA 3.34Å; D767-S1274 WeakPolarHBondContact OD2-CB 3.33Å; S1274-Q1276 PolarHBondContact O-N 3.07Å; S1274-A1277 PolarHBondContact O-N 3.23Å; S1274-A1277 WeakPolarHBondContact OG-CB 3.46Å; S1274-A1277 PolarHBondContact OG-N 3.11Å; S1274-L1278 PolarHBondContact O-N 3.49Å
1275V51.3Low55.1Low9 Ų962.4 Ų62.46%0.05532%0.317CS..THydrogen-bonded Turntrans-56.5-26.9179.9171.10000110.7L652 D767 L768 L1278 F1283L652-V1275 HydrophobicContact CD1-CG1 4.28Å; L652-V1275 HydrophobicContact CD2-CG1 4.06Å; D767-V1275 HydrophobicContact CB-CG2 4.11Å; D767-V1275 PolarHBondContact OD2-N 3.09Å; L768-V1275 HydrophobicContact CD1-CG2 4.38Å; L768-V1275 HydrophobicContact CG-CG2 4.23Å; V1275-L1278 HydrophobicContact CB-CD1 4.49Å; V1275-F1283 HydrophobicContact CG1-CE2 4.29Å; V1275-F1283 HydrophobicContact CG1-CZ 3.98Å
1276Q45.7Very low53.3Low132 Ų13262.6 Ų62.662%0.61732%0.322SS*.THydrogen-bonded Turntrans-72.1-29.5174.5-62.3176.9-18.400114.4L577 S1274L577-Q1276 HydrophobicContact CD2-CG 3.69Å; S1274-Q1276 PolarHBondContact O-N 3.07Å
1277A45.6Very low51.8Low71 Ų7166.8 Ų66.859%0.58735%0.346SS*.THydrogen-bonded Turntrans-86.7-9.6-179.600000113.2A1273 S1274A1273-A1277 HydrophobicContact CB-CB 4.21Å; S1274-A1277 PolarHBondContact O-N 3.23Å; S1274-A1277 WeakPolarHBondContact OG-CB 3.46Å; S1274-A1277 PolarHBondContact OG-N 3.11Å
1278L53.5Low50Low6 Ų668.8 Ų68.83%0.03136%0.358CS..SBendtrans-66149.3172.3-70.9166.8000110.2L672 H763 A1273 S1274 V1275 R1280 F1283L672-L1278 HydrophobicContact CD1-CD1 3.4Å; L672-L1278 VanDerWaalsContact CD1-CD1 3.4Å; L672-L1278 HydrophobicContact CD1-CD2 4.5Å; H763-L1278 HydrophobicContact CB-CD2 3.31Å; H763-L1278 VanDerWaalsContact CG-CD2 3.46Å; A1273-L1278 HydrophobicContact CB-CD2 4.05Å; A1273-L1278 HydrophobicContact CB-CG 4.17Å; S1274-L1278 PolarHBondContact O-N 3.49Å; V1275-L1278 HydrophobicContact CB-CD1 4.49Å; L1278-R1280 PolarHBondContact O-N 2.79Å; L1278-R1280 VanDerWaalsContact O-N 3.16Å; L1278-F1283 HydrophobicContact CB-CE2 3.8Å; L1278-F1283 HydrophobicContact CB-CZ 4.41Å; L1278-F1283 HydrophobicContact CD1-CE2 3.97Å; L1278-F1283 HydrophobicContact CD1-CZ 3.75Å
1279P51.1Low48.3Very low35 Ų3569.7 Ų69.723%0.22736%0.363CS..  trans-52.9125.8177.6-22.131.4000110.3E1281 L1282P1279-E1281 HydrophobicContact CB-CB 4.33Å; P1279-E1281 PolarHBondContact O-N 3.02Å; P1279-L1282 VanDerWaalsContact O-CB 3.26Å; P1279-L1282 WeakPolarHBondContact O-CB 3.36Å; P1279-L1282 PolarHBondContact O-N 3.48Å
1280R48.4Very low47.2Very low193 Ų19369.9 Ų69.973%0.72837%0.374SS*.G310 helixtrans-52.3-29.9173.4-73.9-178.1177.5-176.1-4.9111.4L1278 L1282 F1283 N1284L1278-R1280 PolarHBondContact O-N 2.79Å; L1278-R1280 VanDerWaalsContact O-N 3.16Å; R1280-L1282 PolarHBondContact O-N 3.21Å; R1280-F1283 PolarHBondContact O-N 2.78Å; R1280-N1284 PolarHBondContact O-N 2.86Å
1281E50.4Low46.1Very low119 Ų11972.2 Ų72.256%0.55638%0.383SS*.G310 helixtrans-57.2-22.2173.9-61.6172.1-171.500114.8P1279 F1283P1279-E1281 HydrophobicContact CB-CB 4.33Å; P1279-E1281 PolarHBondContact O-N 3.02Å; E1281-F1283 VanDerWaalsContact C-N 3.28Å
1282L51Low45.2Very low21 Ų2165.1 Ų65.111%0.1136%0.358CS..G310 helixtrans-74.1-24.2176.1-145.697.9000111.6L672 P1279 R1280L672-L1282 HydrophobicContact CB-CD2 4.09Å; L672-L1282 HydrophobicContact CD1-CD2 4.06Å; L672-L1282 HydrophobicContact CD2-CD2 4.27Å; L672-L1282 HydrophobicContact CG-CD2 4.39Å; P1279-L1282 VanDerWaalsContact O-CB 3.26Å; P1279-L1282 WeakPolarHBondContact O-CB 3.36Å; P1279-L1282 PolarHBondContact O-N 3.48Å; R1280-L1282 PolarHBondContact O-N 3.21Å
1283F54Low44.7Very low32 Ų3266 Ų6614%0.1437%0.368CS..THydrogen-bonded Turntrans-115-32.8-173.7-56.1-67.6000113.3L652 L672 V1275 L1278 R1280 E1281L652-F1283 HydrophobicContact CD1-CD1 4.34Å; L652-F1283 HydrophobicContact CD1-CE1 4.17Å; L652-F1283 HydrophobicContact CD2-CE1 3.9Å; L652-F1283 HydrophobicContact CD2-CZ 4.39Å; L652-F1283 HydrophobicContact CG-CD1 4.21Å; L652-F1283 HydrophobicContact CG-CE1 3.82Å; L672-F1283 HydrophobicContact CD1-CZ 4.48Å; V1275-F1283 HydrophobicContact CG1-CE2 4.29Å; V1275-F1283 HydrophobicContact CG1-CZ 3.98Å; L1278-F1283 HydrophobicContact CB-CE2 3.8Å; L1278-F1283 HydrophobicContact CB-CZ 4.41Å; L1278-F1283 HydrophobicContact CD1-CE2 3.97Å; L1278-F1283 HydrophobicContact CD1-CZ 3.75Å; R1280-F1283 PolarHBondContact O-N 2.78Å; E1281-F1283 VanDerWaalsContact C-N 3.28Å
1284N42.3Very low44.1Very low60 Ų6071.7 Ų71.732%0.32139%0.393SS..  trans-117.2126.3-176.5-64.82.4000110.5R1280R1280-N1284 PolarHBondContact O-N 2.86Å
1285E47.3Very low43.3Very low93 Ų9372.3 Ų72.344%0.43540%0.396SS..  trans-100.8131.2176.4-80.1-166.9147.500112.4
1286C34.1Very low42.6Very low114 Ų11474.4 Ų74.477%0.7741%0.411SS*.  trans-107.3145.8138.9-790000107.7V1288C1286-V1288 PolarHBondContact O-N 2.92Å
1287D40.4Very low42Very low108 Ų10874.1 Ų74.158%0.57840%0.404SS*.  trans-57.891.8-169.5-90.2-45.1000114.7
1288V39.8Very low41.3Very low42 Ų4278.3 Ų78.326%0.25541%0.409SS..  trans-86.3-22.9171.6179.40000111.9C1286 G1290 Q1291 I1292C1286-V1288 PolarHBondContact O-N 2.92Å; V1288-G1290 VanDerWaalsContact C-N 3.28Å; V1288-G1290 PolarHBondContact O-N 2.95Å; V1288-Q1291 CarbonylContact O-C 3.51Å; V1288-Q1291 WeakPolarHBondContact O-CA 3.48Å; V1288-Q1291 WeakPolarHBondContact O-CB 3.4Å; V1288-Q1291 PolarHBondContact O-N 2.82Å; V1288-I1292 HydrophobicContact CG1-CD1 4.22Å; V1288-I1292 HydrophobicContact CG1-CG1 4.2Å; V1288-I1292 PolarHBondContact O-N 2.96Å
1289V36.1Very low40.1Very low59 Ų5984.1 Ų84.136%0.35843%0.43SS..Hα-helixtrans-63.2-35.4-179.5-178.50000111.5Q1291 I1292 A1293V1289-Q1291 VanDerWaalsContact C-N 3.31Å; V1289-Q1291 PolarHBondContact O-N 2.79Å; V1289-I1292 PolarHBondContact O-N 3.3Å; V1289-A1293 PolarHBondContact O-N 2.69Å
1290G40.2Very low39.1Very low42 Ų4289.5 Ų89.543%0.43345%0.447SS..Hα-helixtrans-62.9-35.9170.700000112.9V1288 Q1294V1288-G1290 VanDerWaalsContact C-N 3.28Å; V1288-G1290 PolarHBondContact O-N 2.95Å; G1290-Q1294 WeakPolarHBondContact O-CG 3.08Å; G1290-Q1294 PolarHBondContact O-N 2.75Å; G1290-Q1294 VanDerWaalsContact O-N 3.14Å
1291Q34Very low38.2Very low120 Ų12084.2 Ų84.256%0.56143%0.433SS*.Hα-helixtrans-74.5-33.4177.8-66.6-174.7-7.300113V1288 V1289 Q1294 T1295V1288-Q1291 CarbonylContact O-C 3.51Å; V1288-Q1291 WeakPolarHBondContact O-CA 3.48Å; V1288-Q1291 WeakPolarHBondContact O-CB 3.4Å; V1288-Q1291 PolarHBondContact O-N 2.82Å; V1289-Q1291 VanDerWaalsContact C-N 3.31Å; V1289-Q1291 PolarHBondContact O-N 2.79Å; Q1291-Q1294 CarbonylContact O-C 3.4Å; Q1291-Q1294 PolarHBondContact O-N 2.84Å; Q1291-T1295 PolarHBondContact O-N 2.84Å; Q1291-T1295 PolarHBondContact O-OG1 2.8Å
1292I36.2Very low37.3Very low20 Ų2081.1 Ų81.110%0.10343%0.425CS..Hα-helixtrans-65.3-43.8174.2-65171.4000110I920 E923 V1288 V1289 Q1294 T1295 S1296I920-I1292 HydrophobicContact CG1-CD1 4.11Å; E923-I1292 WeakPolarHBondContact OE2-CG2 3.3Å; V1288-I1292 HydrophobicContact CG1-CD1 4.22Å; V1288-I1292 HydrophobicContact CG1-CG1 4.2Å; V1288-I1292 PolarHBondContact O-N 2.96Å; V1289-I1292 PolarHBondContact O-N 3.3Å; I1292-Q1294 PolarHBondContact O-N 3.2Å; I1292-T1295 VanDerWaalsContact CA-OG1 3.31Å; I1292-T1295 WeakPolarHBondContact CA-OG1 3.31Å; I1292-T1295 PolarHBondContact O-N 2.81Å; I1292-T1295 PolarHBondContact O-OG1 2.83Å; I1292-S1296 PolarHBondContact O-N 2.92Å; I1292-S1296 PolarHBondContact O-OG 3.19Å
1293A40.3Very low36.3Very low66 Ų6690.8 Ų90.855%0.54546%0.46SS..Hα-helixtrans-59.4-36172.700000112.3V1289 R1297V1289-A1293 PolarHBondContact O-N 2.69Å; A1293-R1297 PolarHBondContact O-N 3.22Å
1294Q34.2Very low35.1Very low127 Ų12796.1 Ų96.159%0.59349%0.489SS*.Hα-helixtrans-75.6-35.4175.8-73.9-179.8-9.200114G1290 Q1291 I1292 R1297 K1298G1290-Q1294 WeakPolarHBondContact O-CG 3.08Å; G1290-Q1294 PolarHBondContact O-N 2.75Å; G1290-Q1294 VanDerWaalsContact O-N 3.14Å; Q1291-Q1294 CarbonylContact O-C 3.4Å; Q1291-Q1294 PolarHBondContact O-N 2.84Å; I1292-Q1294 PolarHBondContact O-N 3.2Å; Q1294-R1297 WeakPolarHBondContact O-CA 3.47Å; Q1294-R1297 WeakPolarHBondContact O-CB 3.34Å; Q1294-R1297 PolarHBondContact O-N 2.9Å; Q1294-K1298 PolarHBondContact O-N 2.94Å
1295T33.1Very low34.3Very low50 Ų5097.6 Ų97.631%0.30750%0.504SS..Hα-helixtrans-74.2-36.6-179.930.30000112L680 Q1291 I1292 R1297 K1298 R1299L680-T1295 HydrophobicContact CD1-CG2 4.22Å; Q1291-T1295 PolarHBondContact O-N 2.84Å; Q1291-T1295 PolarHBondContact O-OG1 2.8Å; I1292-T1295 VanDerWaalsContact CA-OG1 3.31Å; I1292-T1295 WeakPolarHBondContact CA-OG1 3.31Å; I1292-T1295 PolarHBondContact O-N 2.81Å; I1292-T1295 PolarHBondContact O-OG1 2.83Å; T1295-R1297 PolarHBondContact O-N 3.27Å; T1295-K1298 PolarHBondContact O-N 3.39Å; T1295-R1299 PolarHBondContact O-N 2.97Å
1296S36.5Very low33.3Very low53 Ų5399 Ų9937%0.37152%0.519SS..Hα-helixtrans-61.3-32.5168.7-67.10000111.6E923 I1292E923-S1296 PolarHBondContact OE1-OG 2.96Å; I1292-S1296 PolarHBondContact O-N 2.92Å; I1292-S1296 PolarHBondContact O-OG 3.19Å
1297R32.9Very low33Very low126 Ų126101.6 Ų101.648%0.47553%0.526SS..Hα-helixtrans-65.7-47.6170.5-126.3170.9176.2174.6-4.4112.9A1293 Q1294 T1295 R1299 Y1300 N1301 E1321A1293-R1297 PolarHBondContact O-N 3.22Å; Q1294-R1297 WeakPolarHBondContact O-CA 3.47Å; Q1294-R1297 WeakPolarHBondContact O-CB 3.34Å; Q1294-R1297 PolarHBondContact O-N 2.9Å; T1295-R1297 PolarHBondContact O-N 3.27Å; R1297-R1299 VanDerWaalsContact C-N 3.3Å; R1297-R1299 PolarHBondContact O-N 3.25Å; R1297-Y1300 PolarHBondContact O-N 3.26Å; R1297-N1301 PolarHBondContact O-N 3.43Å; R1297-E1321 IonicContact CZ-OE2 2.75Å; R1297-E1321 IonicContact NE-OE2 3.58Å; R1297-E1321 PolarHBondContact NE-OE2 2.87Å; R1297-E1321 IonicContact NH2-OE2 3.55Å; R1297-E1321 PolarHBondContact NH2-OE2 2.93Å
1298K31Very low32.4Very low158 Ų158101.2 Ų101.269%0.68753%0.531SS*.Hα-helixtrans-63-33.9178.1-77.3-172.9176.8-177.80113.2Q1294 T1295 Y1300 N1301 S1302Q1294-K1298 PolarHBondContact O-N 2.94Å; T1295-K1298 PolarHBondContact O-N 3.39Å; K1298-Y1300 VanDerWaalsContact C-N 3.26Å; K1298-Y1300 PolarHBondContact O-N 2.93Å; K1298-N1301 PolarHBondContact O-N 2.81Å; K1298-S1302 PolarHBondContact O-N 2.85Å
1299R28.8Very low31.7Very low129 Ų129107.5 Ų107.549%0.48756%0.558SS.*Hα-helixtrans-66.1-30.2178.2-144.9177-158.9165.95112.3T1295 R1297 S1302T1295-R1299 PolarHBondContact O-N 2.97Å; R1297-R1299 VanDerWaalsContact C-N 3.3Å; R1297-R1299 PolarHBondContact O-N 3.25Å; R1299-S1302 PolarHBondContact O-OG 2.62Å
1300Y29.2Very low31.1Very low148 Ų148109.1 Ų109.158%0.5857%0.572SS**Hα-helixtrans-76.9-43.4175.6-160.9-101.2000111.7R1297 K1298 S1302 R1303R1297-Y1300 PolarHBondContact O-N 3.26Å; K1298-Y1300 VanDerWaalsContact C-N 3.26Å; K1298-Y1300 PolarHBondContact O-N 2.93Å; Y1300-S1302 VanDerWaalsContact C-N 3.32Å; Y1300-S1302 PolarHBondContact O-N 3.1Å; Y1300-R1303 PolarHBondContact O-N 2.91Å; Y1300-R1303 VanDerWaalsContact O-N 3.15Å
1301N30.1Very low30.4Very low81 Ų81114.2 Ų114.243%0.43359%0.589SS.*Hα-helixtrans-71.3-23.2-174.8-66.2-6.9000113.8R1297 K1298 R1303 L1304 E1321R1297-N1301 PolarHBondContact O-N 3.43Å; K1298-N1301 PolarHBondContact O-N 2.81Å; N1301-R1303 PolarHBondContact O-N 3.37Å; N1301-L1304 PolarHBondContact O-N 3.15Å; N1301-E1321 PolarHBondContact ND2-OE1 2.96Å; N1301-E1321 PolarHBondContact OD1-OE1 2.83Å
1302S31.6Very low29.9Very low55 Ų55117.3 Ų117.339%0.38560%0.603SS.*THydrogen-bonded Turntrans-70.4-11.2173.570.10000115K1298 R1299 Y1300K1298-S1302 PolarHBondContact O-N 2.85Å; R1299-S1302 PolarHBondContact O-OG 2.62Å; Y1300-S1302 VanDerWaalsContact C-N 3.32Å; Y1300-S1302 PolarHBondContact O-N 3.1Å
1303R30.4Very low29.3Very low223 Ų223124 Ų12484%0.84264%0.639SS**THydrogen-bonded Turntrans-98.3-2.4176.8-76.3-173.4176.9179.3-1.1114Y1300 N1301Y1300-R1303 PolarHBondContact O-N 2.91Å; Y1300-R1303 VanDerWaalsContact O-N 3.15Å; N1301-R1303 PolarHBondContact O-N 3.37Å
1304L28.5Very low28.4Very low145 Ų145131.2 Ų131.276%0.75966%0.659SS**SBendtrans-120.127.4-176.5-13783.7000113.1N1301N1301-L1304 PolarHBondContact O-N 3.15Å
1305S25.7Very low27.8Very low91 Ų91132.6 Ų132.664%0.63667%0.669SS**  trans-120.762.2179.367.20000111.7
1306T25.1Very low27.3Very low122 Ų122134.7 Ų134.775%0.74869%0.686SS**  trans-142.197.4151.4490000104.9
1307D28Very low26.7Very low169 Ų169139.3 Ų139.390%0.90471%0.711SS**  trans-179.1108.8146-84.3-17.7000106.7
1308S28Very low26.4Very low100 Ų100138.6 Ų138.670%0.69972%0.721SS**  trans-95.9159173.545.10000109.9
1309E25.9Very low26.3Very low174 Ų174136.3 Ų136.381%0.81373%0.725SS**  trans95.2135173.6-57-179.9176.400114.1
1310S23.7Very low26.1Very low92 Ų92138 Ų13864%0.64374%0.738SS**  cis-172.9150.4-11.7440000106.2
1311D24.3Very low26.1Very low150 Ų150134.7 Ų134.780%0.80273%0.728SS**  trans74.399.6159.5-54.6-19.6000120.2
1312E24.2Very low25.9Very low184 Ų184139 Ų13986%0.8674%0.743SS**  trans33.9100.4138.4-54.1-154.8162.500119
1313D22.9Very low25.8Very low160 Ų160139.2 Ų139.286%0.85675%0.748SS**  -160.7136.2125-99-31.4000110.5I1315D1313-I1315 PolarHBondContact O-N 3.29Å; D1313-I1315 VanDerWaalsContact O-N 3.12Å
1314F22.5Very low25.6Very low218 Ų218133 Ų13396%0.95673%0.734SS**  trans-48.6109.8-178.7-98.3-108.1000112.6
1315I21.9Very low25.5Very low157 Ų157133.6 Ų133.681%0.80574%0.738SS**  trans-131.5124.3158.8-59-178.7000109.9D1313D1313-I1315 PolarHBondContact O-N 3.29Å; D1313-I1315 VanDerWaalsContact O-N 3.12Å
1316S22.5Very low25.6Very low94 Ų94133.9 Ų133.966%0.65774%0.739SS**  trans-57.3141.6-179.342.50000113.2T1318S1316-T1318 PolarHBondContact O-N 3.19Å
1317V24Very low25.6Very low149 Ų149130.7 Ų130.790%0.90372%0.717SS**  trans-55.9100.9174.9179.50000109.7
1318T25.7Very low25.6Very low111 Ų111126.6 Ų126.668%0.68170%0.701SS**  trans-95.2132.9171.448.30000110.6S1316 E1320S1316-T1318 PolarHBondContact O-N 3.19Å; T1318-E1320 PolarHBondContact O-N 2.9Å
1319S29.6Very low25.7Very low111 Ų111128.9 Ų128.978%0.77671%0.705SS**  trans-73.374-166.2-53.40000114
1320E24.8Very low25.7Very low163 Ų163127.8 Ų127.876%0.76270%0.7SS**  trans-89.990162-76.4-168.2153.900109.9T1318T1318-E1320 PolarHBondContact O-N 2.9Å
1321E28.5Very low25.7Very low80 Ų80130.3 Ų130.337%0.37471%0.706SS.*  trans-163.4-0.4166.1-113.8167.9-177.100117.6R1297 N1301R1297-E1321 IonicContact CZ-OE2 2.75Å; R1297-E1321 IonicContact NE-OE2 3.58Å; R1297-E1321 PolarHBondContact NE-OE2 2.87Å; R1297-E1321 IonicContact NH2-OE2 3.55Å; R1297-E1321 PolarHBondContact NH2-OE2 2.93Å; N1301-E1321 PolarHBondContact ND2-OE1 2.96Å; N1301-E1321 PolarHBondContact OD1-OE1 2.83Å
1322K26Very low25.9Very low172 Ų172129.2 Ų129.275%0.74870%0.7SS**SBendtrans-102.5-4.8-179.2-89.3-175.4175.8-179.50116.6V1324K1322-V1324 VanDerWaalsContact C-N 3.27Å; K1322-V1324 PolarHBondContact O-N 3.07Å
1323A28.6Very low26Very low59 Ų59127.2 Ų127.249%0.48870%0.695SS.*THydrogen-bonded Turntrans-76.4-4.8-178.100000115
1324V26.8Very low26.3Very low91 Ų91125.9 Ų125.955%0.55269%0.687SS**THydrogen-bonded Turntrans-89.6-16.3-174.2-176.30000113.8K1322 C1326 N1327K1322-V1324 VanDerWaalsContact C-N 3.27Å; K1322-V1324 PolarHBondContact O-N 3.07Å; V1324-C1326 PolarHBondContact O-N 2.94Å; V1324-N1327 PolarHBondContact O-N 2.89Å; V1324-N1327 VanDerWaalsContact O-N 3.16Å
1325L27.5Very low26.5Very low159 Ų159121.2 Ų121.283%0.83268%0.676SS**THydrogen-bonded Turntrans-69.8-22.2175.4-158.472.7000112.8
1326C27.8Very low26.7Very low97 Ų97121.7 Ų121.766%0.65567%0.674SS**THydrogen-bonded Turntrans-88.6-12.7172.8-72.20000114V1324V1324-C1326 PolarHBondContact O-N 2.94Å
1327N25.4Very low26.8Very low55 Ų55125.1 Ų125.129%0.29468%0.68SS.*G310 helixtrans-85.2-9.8-179.2-74.1-23.3000113.8R70 V1324 L1329 H1330R70-N1327 PolarHBondContact NH1-ND2 3.06Å; R70-N1327 PolarHBondContact NH1-OD1 2.97Å; V1324-N1327 PolarHBondContact O-N 2.89Å; V1324-N1327 VanDerWaalsContact O-N 3.16Å; N1327-L1329 PolarHBondContact O-N 2.82Å; N1327-H1330 PolarHBondContact O-N 3.07Å
1328S26.3Very low26.8Very low82 Ų82126.7 Ų126.757%0.57368%0.678SS**G310 helixtrans-69.3-8.2168.979.50000113.2
1329L30.1Very low26.7Very low149 Ų149125.8 Ų125.878%0.7867%0.672SS**G310 helixtrans-88.3-4.1170-74164.5000113.7N1327N1327-L1329 PolarHBondContact O-N 2.82Å
1330H26.1Very low26.4Very low151 Ų151125.6 Ų125.670%0.69967%0.668SS**SBendtrans-107.2-7.5-175.6-121.864.4000116.9N1327N1327-H1330 PolarHBondContact O-N 3.07Å
1331D24.8Very low26.4Very low145 Ų145123.1 Ų123.178%0.77566%0.659SS**SBendtrans-127.819.9179.2-82-33.6000115N1333D1331-N1333 VanDerWaalsContact C-N 3.27Å; D1331-N1333 PolarHBondContact O-N 2.96Å
1332N27.7Very low26.1Very low127 Ų127128.2 Ų128.268%0.67968%0.683SS**  trans-95.557.6164.5-73.9-35.9000110.3I1334N1332-I1334 PolarHBondContact O-N 3.44Å
1333N27Very low26.1Very low142 Ų142128.4 Ų128.476%0.75968%0.68SS**  trans-67.682.6156.1-86.3-28.7000107.4D1331 V1335D1331-N1333 VanDerWaalsContact C-N 3.27Å; D1331-N1333 PolarHBondContact O-N 2.96Å; N1333-V1335 PolarHBondContact O-N 3.07Å
1334I28Very low25.8Very low132 Ų132133.6 Ų133.668%0.67770%0.7SS**  trans-6776.4162.9-56.3173.5000106.1N1332 H1336N1332-I1334 PolarHBondContact O-N 3.44Å; I1334-H1336 PolarHBondContact O-N 3.46Å
1335V28.2Very low25.8Very low120 Ų120133.8 Ų133.873%0.72771%0.705SS**  trans-74108.5155.8177.90000104N1333 Q1337N1333-V1335 PolarHBondContact O-N 3.07Å; V1335-Q1337 PolarHBondContact O-N 3.23Å
1336H25.2Very low25.6Very low166 Ų166135.3 Ų135.377%0.76971%0.708SS**  trans-53.387164.8-77.9-82.4000108.5I1334 Q1338I1334-H1336 PolarHBondContact O-N 3.46Å; H1336-Q1338 PolarHBondContact O-N 2.96Å
1337Q24.4Very low25.4Very low166 Ų166135.7 Ų135.778%0.77671%0.712SS**  trans-64.498.1155.8-126.3176.54.800103.8V1335 V1339V1335-Q1337 PolarHBondContact O-N 3.23Å; Q1337-V1339 HydrophobicContact CB-CG2 4.23Å; Q1337-V1339 PolarHBondContact O-N 2.97Å
1338Q24.2Very low25.5Very low183 Ų183138.4 Ų138.486%0.85573%0.732SS**  trans-59.579.4153.1-78.6179.6-2100105.6H1336 P1340H1336-Q1338 PolarHBondContact O-N 2.96Å; Q1338-P1340 WeakPolarHBondContact O-CD 3.34Å
1339V24.7Very low25.4Very low91 Ų91139.7 Ų139.755%0.55274%0.741SS**  trans-61.2113.7156.9-179.80000102.8Q1337 L1341Q1337-V1339 HydrophobicContact CB-CG2 4.23Å; Q1337-V1339 PolarHBondContact O-N 2.97Å; V1339-L1341 PolarHBondContact O-N 2.67Å
1340P23.2Very low25.1Very low107 Ų107137.8 Ų137.870%0.69574%0.739SS**  trans-68.186.2170.128.9-27.5000105.2Q1338 H1342Q1338-P1340 WeakPolarHBondContact O-CD 3.34Å; P1340-H1342 VanDerWaalsContact C-N 3.33Å; P1340-H1342 PolarHBondContact O-N 2.89Å
1341L24.8Very low25Very low112 Ų112136.5 Ų136.559%0.58674%0.741SS**  trans-57.4106.2164.6-84.8151.7000104.8V1339 Y1343V1339-L1341 PolarHBondContact O-N 2.67Å; L1341-Y1343 HydrophobicContact CB-CD2 3.52Å; L1341-Y1343 HydrophobicContact CB-CE2 3.36Å; L1341-Y1343 HydrophobicContact CD1-CE2 3.77Å; L1341-Y1343 HydrophobicContact CD2-CE2 4.3Å; L1341-Y1343 HydrophobicContact CG-CE2 4Å; L1341-Y1343 PolarHBondContact O-N 3.02Å
1342H21.7Very low25.1Very low186 Ų186138.3 Ų138.386%0.86174%0.743SS**  trans-61.675.4168.4-95.2-81.6000108P1340 N1344P1340-H1342 VanDerWaalsContact C-N 3.33Å; P1340-H1342 PolarHBondContact O-N 2.89Å; H1342-N1344 PolarHBondContact O-N 3.41Å; H1342-N1344 VanDerWaalsContact O-N 3.08Å
1343Y25.2Very low25Very low176 Ų176139.5 Ų139.569%0.6975%0.749SS**  trans-7597.8169.4-81.4-74000107.5L1341 S1345L1341-Y1343 HydrophobicContact CB-CD2 3.52Å; L1341-Y1343 HydrophobicContact CB-CE2 3.36Å; L1341-Y1343 HydrophobicContact CD1-CE2 3.77Å; L1341-Y1343 HydrophobicContact CD2-CE2 4.3Å; L1341-Y1343 HydrophobicContact CG-CE2 4Å; L1341-Y1343 PolarHBondContact O-N 3.02Å; Y1343-S1345 PolarHBondContact O-N 2.97Å
1344N23Very low25Very low169 Ų169138.5 Ų138.590%0.90475%0.749SS**  trans-65.778.2155.6-96.9-11.8000107.9H1342H1342-N1344 PolarHBondContact O-N 3.41Å; H1342-N1344 VanDerWaalsContact O-N 3.08Å
1345S26.1Very low24.9Very low95 Ų95138.2 Ų138.266%0.66475%0.752SS**  trans-96.990.3172520000109.3Y1343 S1347Y1343-S1345 PolarHBondContact O-N 2.97Å; S1345-S1347 VanDerWaalsContact C-N 3.33Å; S1345-S1347 PolarHBondContact O-N 3.31Å
1346Q23.4Very low24.9Very low190 Ų190136.5 Ų136.589%0.88874%0.744SS**  trans-6698.5155.6-74.6-178.6-10.800107.2P1348Q1346-P1348 VanDerWaalsContact O-CD 3.28Å; Q1346-P1348 WeakPolarHBondContact O-CD 3.43Å
1347S24.6Very low25.4Very low106 Ų106136.3 Ų136.374%0.74174%0.741SS**  trans-81.9113170.455.20000109.4S1345 S1349S1345-S1347 VanDerWaalsContact C-N 3.33Å; S1345-S1347 PolarHBondContact O-N 3.31Å; S1347-S1349 PolarHBondContact O-N 3.4Å
1348P26.3Very low25.7Very low111 Ų111131.3 Ų131.372%0.72172%0.724SS**  trans-75.2124.7159.130.6-27.4000107.4Q1346 C1350Q1346-P1348 VanDerWaalsContact O-CD 3.28Å; Q1346-P1348 WeakPolarHBondContact O-CD 3.43Å; P1348-C1350 PolarHBondContact O-N 3.26Å
1349S24.8Very low26.1Very low110 Ų110126 Ų12677%0.76971%0.712SS**  trans-64.290.1175.450.10000110.4S1347 V1351S1347-S1349 PolarHBondContact O-N 3.4Å; S1349-V1351 PolarHBondContact O-N 2.89Å; S1349-V1351 VanDerWaalsContact O-N 3.11Å
1350C23.3Very low26.5Very low109 Ų109127.8 Ų127.874%0.73672%0.717SS**  trans-74.196.6162.3-75.90000108.3P1348 F1352P1348-C1350 PolarHBondContact O-N 3.26Å; C1350-F1352 PolarHBondContact O-N 2.91Å; C1350-F1352 VanDerWaalsContact O-N 3.1Å
1351V24.9Very low27Very low123 Ų123129.3 Ų129.375%0.74572%0.715SS**  trans-61.2107.8162.91770000106.3S1349 D1353S1349-V1351 PolarHBondContact O-N 2.89Å; S1349-V1351 VanDerWaalsContact O-N 3.11Å; V1351-D1353 PolarHBondContact O-N 3.3Å
1352F26.3Very low27.3Very low183 Ų183132.1 Ų132.180%0.80372%0.722SS**  trans-61109167.6-86.7-92.2000107.3C1350 T1354C1350-F1352 PolarHBondContact O-N 2.91Å; C1350-F1352 VanDerWaalsContact O-N 3.1Å; F1352-T1354 PolarHBondContact O-N 3.12Å
1353D25.1Very low27.9Very low153 Ų153128 Ų12882%0.81871%0.714SS**  trans-5995.7159.1-91.5-26.6000107.1V1351 V1355V1351-D1353 PolarHBondContact O-N 3.3Å; D1353-V1355 PolarHBondContact O-N 2.9Å
1354T27.7Very low28.3Very low121 Ų121124.8 Ų124.874%0.74271%0.713SS**  trans-60105.8169.444.30000107F1352 P1356F1352-T1354 PolarHBondContact O-N 3.12Å; T1354-P1356 WeakPolarHBondContact O-CD 3.27Å
1355V26.1Very low28.6Very low125 Ų125121.7 Ų121.776%0.75870%0.696SS**  trans-48.5111.3163.1178.30000106.7D1353 K1357D1353-V1355 PolarHBondContact O-N 2.9Å; V1355-K1357 PolarHBondContact O-N 2.91Å; V1355-K1357 VanDerWaalsContact O-N 3.15Å
1356P28Very low28.8Very low85 Ų85126.7 Ų126.755%0.55271%0.706SS**  trans-69.7121.7-174.524.8-29000107.8T1354 S1358 A1359T1354-P1356 WeakPolarHBondContact O-CD 3.27Å; P1356-S1358 PolarHBondContact O-N 3.14Å; P1356-S1358 PolarHBondContact O-OG 3.2Å; P1356-A1359 PolarHBondContact O-N 3.28Å; P1356-A1359 VanDerWaalsContact O-N 3.08Å
1357K34.7Very low29Very low161 Ų161127.4 Ų127.470%0.771%0.706SS**THydrogen-bonded Turntrans-49.8-9.9177.3-79.4-174.7173.5-174.30114.6V1355 A1359 I1360 E1361V1355-K1357 PolarHBondContact O-N 2.91Å; V1355-K1357 VanDerWaalsContact O-N 3.15Å; K1357-A1359 PolarHBondContact O-N 3.38Å; K1357-A1359 VanDerWaalsContact O-N 3.13Å; K1357-I1360 PolarHBondContact O-N 3.07Å; K1357-E1361 PolarHBondContact O-N 2.84Å
1358S30.7Very low29.1Very low61 Ų61132.3 Ų132.343%0.42771%0.708SS.*Hα-helixtrans-57.6-17.8168.257.20000114.6P1356 K1362P1356-S1358 PolarHBondContact O-N 3.14Å; P1356-S1358 PolarHBondContact O-OG 3.2Å; S1358-K1362 PolarHBondContact O-N 2.84Å
1359A33Very low29Very low73 Ų73133.1 Ų133.160%0.60371%0.712SS**Hα-helixtrans-74.2-27171.900000113.1P1356 K1357P1356-A1359 PolarHBondContact O-N 3.28Å; P1356-A1359 VanDerWaalsContact O-N 3.08Å; K1357-A1359 PolarHBondContact O-N 3.38Å; K1357-A1359 VanDerWaalsContact O-N 3.13Å
1360I34.6Very low29Very low128 Ų128133.2 Ų133.266%0.65671%0.713SS**Hα-helixtrans-86.5-29.1175.1-61.4175.2000110.5K1357 S1363K1357-I1360 PolarHBondContact O-N 3.07Å; I1360-S1363 PolarHBondContact O-OG 2.72Å; I1360-S1363 VanDerWaalsContact O-OG 3.09Å
1361E31.7Very low29.1Very low138 Ų138133.3 Ų133.365%0.64571%0.714SS**Hα-helixtrans-80.6-21.7178.5-77.6-177.1155.900114.7K1357 S1363 V1364 N1365K1357-E1361 PolarHBondContact O-N 2.84Å; E1361-S1363 VanDerWaalsContact C-N 3.35Å; E1361-S1363 PolarHBondContact O-N 3.29Å; E1361-V1364 PolarHBondContact O-N 3.22Å; E1361-N1365 PolarHBondContact O-N 2.52Å
1362K32Very low29Very low171 Ų171134.7 Ų134.774%0.74372%0.723SS**Hα-helixtrans-76.8-15.6177.6-81-175.7178.8177.70114.5S1358S1358-K1362 PolarHBondContact O-N 2.84Å
1363S34.3Very low29Very low99 Ų99130.7 Ų130.769%0.69272%0.718SS**Hα-helixtrans-80.8-20.8168.259.80000112.5I1360 E1361I1360-S1363 PolarHBondContact O-OG 2.72Å; I1360-S1363 VanDerWaalsContact O-OG 3.09Å; E1361-S1363 VanDerWaalsContact C-N 3.35Å; E1361-S1363 PolarHBondContact O-N 3.29Å
1364V33.8Very low29.1Very low109 Ų109128.7 Ų128.766%0.66172%0.716SS**Hα-helixtrans-87.9-29-179.1179.80000112.6E1361E1361-V1364 PolarHBondContact O-N 3.22Å
1365N29.7Very low28.9Very low104 Ų104131.5 Ų131.556%0.55672%0.72SS**THydrogen-bonded Turntrans-94.212.1-173-104.6-13.7000117.2E1361E1361-N1365 PolarHBondContact O-N 2.52Å
1366K29Very low28.9Very low200 Ų200132.7 Ų132.787%0.8772%0.722SS**THydrogen-bonded Turntrans-99.716.4175-118.2-179.3-176.6-177.60115.9
1367K29.4Very low28.6Very low206 Ų206139.6 Ų139.690%0.89674%0.737SS**  trans-126.229.9169.4-82.4-172.6176.4-179.90114
1368R25.4Very low28.2Very low208 Ų208140.1 Ų140.179%0.78574%0.742SS**  trans-100.480.6166.7-93.5-176.3169175.6-2.3110.3
1369T24.9Very low27.8Very low129 Ų129142 Ų14279%0.79176%0.755SS**SBendtrans-153.6123150.148.30000109
1370S24.8Very low27.3Very low112 Ų112147.8 Ų147.878%0.78377%0.767SS**  trans58.591.7160.966.20000119.3
1371S24.8Very low26.9Very low110 Ų110149.5 Ų149.577%0.76978%0.777SS**  trans-159.180.7131.253.70000110.2S1373S1371-S1373 PolarHBondContact O-N 2.81Å; S1371-S1373 VanDerWaalsContact O-N 3.15Å
1372T23.8Very low26.6Very low153 Ų153148.2 Ų148.294%0.93978%0.779SS**  trans-63.599.5150.735.40000107.8
1373S26.2Very low26.2Very low99 Ų99145.9 Ų145.969%0.69278%0.779SS**  trans-133.4105.6159.266.60000109S1371S1371-S1373 PolarHBondContact O-N 2.81Å; S1371-S1373 VanDerWaalsContact O-N 3.15Å
1374S25.9Very low25.7Very low110 Ų110153.2 Ų153.277%0.76979%0.792SS**  trans-17132.7164.547.90000116.9N1376S1374-N1376 PolarHBondContact O-N 3.45Å
1375H24.1Very low25.3Very low181 Ų181153 Ų15384%0.83880%0.796SS**  trans-20.6119149.4-77-61.7000114.5
1376N25.4Very low25.1Very low149 Ų149156.2 Ų156.280%0.79781%0.812SS**  trans-121.6103.1145.5-96.4-14.2000108.4S1374 H1378S1374-N1376 PolarHBondContact O-N 3.45Å; N1376-H1378 PolarHBondContact O-N 2.54Å
1377R21.5Very low24.9Very low231 Ų231155.8 Ų155.887%0.87281%0.813SS**  trans-61.7111.9159.7-80.3175.3168.7172.4-4107.4
1378H26.9Very low24.7Very low172 Ų172151 Ų15180%0.79681%0.805SS**  trans-131.3101.2149.9-86.3-65.9000108.5N1376N1376-H1378 PolarHBondContact O-N 2.54Å
1379S22.6Very low24.6Very low100 Ų100151 Ų15170%0.69981%0.811SS**  trans-58.5135.4162.946.90000110.5
1380F23.3Very low24.6Very low194 Ų194149.8 Ų149.885%0.85181%0.808SS**  trans31.7109147.6-76.7-91000117.5
1381N26Very low24.6Very low164 Ų164151.8 Ų151.888%0.87781%0.808SS**  trans-148.7108.1136.5-96-19.7000110.1
1382T24Very low24.6Very low112 Ų112155.9 Ų155.969%0.68781%0.812SS**  trans-12.5143.1152.613.50000119.1
1383T24Very low24.6Very low122 Ų122157 Ų15775%0.74881%0.806SS**  trans66.296.2143.953.50000119.7
1384R24.4Very low24.5Very low252 Ų252158.8 Ų158.895%0.95181%0.808SS**  trans-122.390.9131.5-92.7-174.9173.7176.6-1.9107.8L1386R1384-L1386 PolarHBondContact O-N 2.92Å
1385S25.5Very low24.4Very low106 Ų106160 Ų16074%0.74181%0.811SS**  trans-65.7120.2168.552.60000108.7E1387S1385-E1387 PolarHBondContact O-N 2.97Å
1386L25.4Very low24.4Very low170 Ų170156 Ų15689%0.8979%0.791SS**  trans-60123.6164.4-81.7143.7000108.6R1384 S1388R1384-L1386 PolarHBondContact O-N 2.92Å; L1386-S1388 PolarHBondContact O-N 2.86Å
1387E23.8Very low24.3Very low192 Ų192158.3 Ų158.390%0.89779%0.794SS**  trans-59.397.5173.2-71.6173.1147.800109.8S1385 K1389S1385-E1387 PolarHBondContact O-N 2.97Å; E1387-K1389 PolarHBondContact O-N 3.43Å
1388S25.3Very low24.3Very low106 Ų106155 Ų15574%0.74179%0.789SS**  trans-67.3114.5161.553.50000108L1386 S1390L1386-S1388 PolarHBondContact O-N 2.86Å; S1388-S1390 VanDerWaalsContact C-N 3.28Å; S1388-S1390 PolarHBondContact O-N 3Å
1389K24.9Very low24.2Very low208 Ų208154.1 Ų154.190%0.90479%0.79SS**  trans-57.491169.4-76.9177.6176.2174.10109.3E1387 I1391E1387-K1389 PolarHBondContact O-N 3.43Å; K1389-I1391 PolarHBondContact O-N 3.25Å
1390S23.6Very low24.2Very low103 Ų103155.6 Ų155.672%0.7280%0.795SS**  trans-68.8113.4169.455.70000108.5S1388 K1392S1388-S1390 VanDerWaalsContact C-N 3.28Å; S1388-S1390 PolarHBondContact O-N 3Å; S1390-K1392 PolarHBondContact O-N 2.91Å
1391I25.9Very low24.2Very low153 Ų153151.7 Ų151.779%0.78579%0.789SS**  trans-49.9125.2164.5-67.7166.8000107.5K1389 H1393K1389-I1391 PolarHBondContact O-N 3.25Å; I1391-H1393 PolarHBondContact O-N 3.36Å
1392K23.2Very low24.1Very low196 Ų196155.7 Ų155.785%0.85279%0.792SS**  trans-60.592.4-178.4-71.6178.2176178.80109.8S1390 N1394S1390-K1392 PolarHBondContact O-N 2.91Å; K1392-N1394 PolarHBondContact O-N 3.21Å
1393H24.5Very low24.1Very low177 Ų177159.1 Ų159.182%0.81980%0.8SS**  trans-65.5112.2157.9-92.4-75.6000107.4I1391 T1395I1391-H1393 PolarHBondContact O-N 3.36Å; H1393-T1395 PolarHBondContact O-N 2.69Å
1394N23.6Very low24Very low136 Ų136162 Ų16273%0.72781%0.805SS**  trans-57.1106.4167.8-86.4-27.2000108.1K1392 F1396K1392-N1394 PolarHBondContact O-N 3.21Å; N1394-F1396 PolarHBondContact O-N 3.44Å
1395T23.9Very low23.9Very low136 Ų136156.1 Ų156.183%0.83480%0.797SS**  trans-57.996169.440.10000109.5H1393 K1397H1393-T1395 PolarHBondContact O-N 2.69Å; T1395-K1397 PolarHBondContact O-N 3Å
1396F24.2Very low23.8Very low96 Ų96156.7 Ų156.742%0.42180%0.798SS.*  trans-64.6120.5152.9-94.5-125.3000107.8S503 L504 N1394 E1398S503-F1396 WeakPolarHBondContact O-CE1 3.46Å; S503-F1396 VanDerWaalsContact O-CZ 3.27Å; S503-F1396 WeakPolarHBondContact O-CZ 3.12Å; S503-F1396 WeakPolarHBondContact OG-CD1 3.06Å; S503-F1396 WeakPolarHBondContact OG-CE1 3.18Å; L504-F1396 HydrophobicContact CB-CD1 4.13Å; L504-F1396 HydrophobicContact CB-CD2 4.27Å; L504-F1396 HydrophobicContact CB-CE1 3.37Å; L504-F1396 HydrophobicContact CB-CE2 3.46Å; L504-F1396 VanDerWaalsContact CB-CE2 3.46Å; L504-F1396 HydrophobicContact CB-CZ 2.98Å; L504-F1396 HydrophobicContact CD1-CB 4.32Å; L504-F1396 HydrophobicContact CD1-CD1 3.42Å; L504-F1396 VanDerWaalsContact CD1-CD1 3.42Å; L504-F1396 HydrophobicContact CD1-CD2 3.5Å; L504-F1396 HydrophobicContact CD1-CE1 3.6Å; L504-F1396 HydrophobicContact CD1-CE2 3.6Å; L504-F1396 HydrophobicContact CD1-CG 3.43Å; L504-F1396 VanDerWaalsContact CD1-CG 3.43Å; L504-F1396 HydrophobicContact CD1-CZ 3.71Å; L504-F1396 HydrophobicContact CG-CD1 4.39Å; L504-F1396 HydrophobicContact CG-CD2 4.44Å; L504-F1396 HydrophobicContact CG-CE1 4.09Å; L504-F1396 HydrophobicContact CG-CE2 4.06Å; L504-F1396 HydrophobicContact CG-CZ 3.94Å; N1394-F1396 PolarHBondContact O-N 3.44Å; F1396-E1398 VanDerWaalsContact C-N 3.26Å; F1396-E1398 PolarHBondContact O-N 3.45Å
1397K22.8Very low23.8Very low199 Ų199154.9 Ų154.987%0.86579%0.794SS**  trans-71.684.9167.8-78178.5172.8177.90108.1T1395T1395-K1397 PolarHBondContact O-N 3Å
1398E23.5Very low23.8Very low161 Ų161149.9 Ų149.975%0.75279%0.786SS**  trans-80.3118.2160.1-84.3-176.8156.100108.6F1396 T1400F1396-E1398 VanDerWaalsContact C-N 3.26Å; F1396-E1398 PolarHBondContact O-N 3.45Å; E1398-T1400 PolarHBondContact O-N 3.05Å
1399N23.5Very low23.8Very low154 Ų154153.4 Ų153.482%0.82479%0.79SS**  trans-57.9102170.3-78.6-33.1000108.6P1401N1399-P1401 WeakPolarHBondContact O-CD 3.35Å
1400T21.9Very low23.6Very low131 Ų131152.7 Ų152.780%0.80479%0.79SS**  trans-49.1109.8164.828.70000109.4E1398E1398-T1400 PolarHBondContact O-N 3.05Å
1401P24.3Very low23.7Very low112 Ų112152 Ų15273%0.72778%0.781SS**  trans-65.9136.6160.90.517.3000105.8N1399 Q1403N1399-P1401 WeakPolarHBondContact O-CD 3.35Å; P1401-Q1403 PolarHBondContact O-N 2.96Å
1402R23.6Very low23.6Very low248 Ų248152.2 Ų152.294%0.93678%0.783SS**  trans-45.1102.5176.9-73.6173.7170.6173.3-3.4109.8Q1404R1402-Q1404 PolarHBondContact O-N 2.8Å
1403Q23.3Very low23.7Very low184 Ų184149 Ų14986%0.8677%0.771SS**  trans-58.5104.9163.2-83.5177.1-19.200106.4P1401 T1405P1401-Q1403 PolarHBondContact O-N 2.96Å; Q1403-T1405 PolarHBondContact O-N 3.24Å
1404Q23.5Very low23.9Very low183 Ų183147.3 Ų147.386%0.85577%0.773SS**PPolyproline II helixtrans-54.8118.4153.7-78176.7-1400105.6R1402R1402-Q1404 PolarHBondContact O-N 2.8Å
1405T22.5Very low23.8Very low128 Ų128142.6 Ų142.679%0.78576%0.756SS**PPolyproline II helixtrans-46.3124.4173.818.50000108.9Q1403 V1407Q1403-T1405 PolarHBondContact O-N 3.24Å; T1405-V1407 PolarHBondContact O-N 3.11Å
1406P23Very low24Very low117 Ų117143 Ų14376%0.7676%0.759SS**PPolyproline II helixtrans-59.6130.5178.424.7-30.8000107.6A1408P1406-A1408 PolarHBondContact O-N 3.13Å
1407V24.9Very low24Very low133 Ų133145.7 Ų145.781%0.80678%0.777SS**  trans-51.4108.6168.2176.40000105.9T1405 H1409T1405-V1407 PolarHBondContact O-N 3.11Å; V1407-H1409 PolarHBondContact O-N 3.01Å
1408A24.3Very low24Very low87 Ų87142 Ų14272%0.71977%0.771SS**  trans-57.3107175.400000107P1406 Q1410P1406-A1408 PolarHBondContact O-N 3.13Å; A1408-Q1410 PolarHBondContact O-N 3.03Å
1409H24.1Very low24.1Very low180 Ų180140.2 Ų140.283%0.83377%0.773SS**  trans-48.7115.6165.9-81.1-82.6000106.7V1407 T1411V1407-H1409 PolarHBondContact O-N 3.01Å; H1409-T1411 PolarHBondContact O-N 2.87Å
1410Q22.6Very low24.1Very low192 Ų192139.5 Ų139.590%0.89777%0.774SS**  trans-56.6104.6178.1-79.6176.7-22.900107.8A1408 L1412A1408-Q1410 PolarHBondContact O-N 3.03Å; Q1410-L1412 PolarHBondContact O-N 3.21Å
1411T24.2Very low24.1Very low89 Ų89145.4 Ų145.455%0.54678%0.782SS.*  trans-53.3123.2165310000108H1409 E1413H1409-T1411 PolarHBondContact O-N 2.87Å; T1411-E1413 PolarHBondContact O-N 3.47Å
1412L25.2Very low24.1Very low157 Ų157151.4 Ų151.482%0.82279%0.79SS**  trans-7460.6168.7-134.7145.4000107.8Q1410 V1414Q1410-L1412 PolarHBondContact O-N 3.21Å; L1412-V1414 PolarHBondContact O-N 3.46Å; L1412-V1414 VanDerWaalsContact O-N 3.09Å
1413E23.8Very low24.2Very low129 Ų129144.5 Ų144.560%0.60379%0.786SS**  trans-67.2108.3167.5-80.8-173.5173.200106.5T1411 G1415T1411-E1413 PolarHBondContact O-N 3.47Å; E1413-G1415 PolarHBondContact O-N 3.45Å
1414V28.7Very low24.3Very low141 Ų141144.2 Ų144.286%0.85579%0.785SS**  trans-67.859.4156.4-172.10000107.4L1412L1412-V1414 PolarHBondContact O-N 3.46Å; L1412-V1414 VanDerWaalsContact O-N 3.09Å
1415G23.2Very low24.4Very low37 Ų37147.4 Ų147.438%0.38179%0.789SS.*  trans-88.9136.1173.900000108E1413 L1417E1413-G1415 PolarHBondContact O-N 3.45Å; G1415-L1417 PolarHBondContact O-N 3.08Å
1416V26.2Very low24.6Very low146 Ų146149.2 Ų149.289%0.88579%0.792SS**  trans-59.285.6169.2179.70000108.1
1417L25.2Very low24.8Very low152 Ų152155.3 Ų155.380%0.79680%0.8SS**  trans-92.9100.6-179.2-83163.2000109.7G1415G1415-L1417 PolarHBondContact O-N 3.08Å
1418T22.3Very low24.8Very low121 Ų121154 Ų15474%0.74280%0.796SS**  trans-60.7136.9158.215.70000110.1T1420T1418-T1420 PolarHBondContact O-N 2.87Å
1419P24.9Very low24.9Very low123 Ų123158.8 Ų158.880%0.79980%0.804SS**  trans-81.1117.4-162.531.2-33.6000112.3
1420T23.7Very low25.2Very low139 Ų139156 Ų15685%0.85381%0.805SS**  trans-100109.7163.545.40000110.2T1418 R1422T1418-T1420 PolarHBondContact O-N 2.87Å; T1420-R1422 PolarHBondContact O-N 3.03Å
1421R23.4Very low25.3Very low255 Ų255150.3 Ų150.396%0.96280%0.798SS**  trans-56121.1175-71.8176.3171.9178.4-3.1111.1
1422R23.8Very low25.5Very low238 Ų238152.2 Ų152.290%0.89881%0.812SS**  trans-117.7117.2163.2-149.9175.1-170.6173.31.3108.4T1420T1420-R1422 PolarHBondContact O-N 3.03Å
1423A24.6Very low25.7Very low103 Ų103154.1 Ų154.185%0.85181%0.813SS**  trans-81111.8-178.800000109.8
1424E27.3Very low25.9Very low178 Ų178154.1 Ų154.183%0.83283%0.825SS**  trans-94.6125.3169.8-78.5-177.4163.200110.4I1426E1424-I1426 PolarHBondContact O-N 3.46Å
1425R24.6Very low26Very low251 Ų251155.6 Ų155.695%0.94783%0.827SS**  trans-67.8106.4176.1-81.8177.3173.5-178.1-2.6109.4R1427R1425-R1427 PolarHBondContact O-N 3.37Å
1426I27.8Very low26.1Very low166 Ų166158.6 Ų158.685%0.85184%0.842SS**  trans-70.4114.1169.8-63170.8000108.5E1424E1424-I1426 PolarHBondContact O-N 3.46Å
1427R25.8Very low26.3Very low245 Ų245157.5 Ų157.593%0.92584%0.838SS**  trans-82114.6169.4-151.4175.7-169.8177.21.3107.5R1425R1425-R1427 PolarHBondContact O-N 3.37Å
1428S25.1Very low26.5Very low104 Ų104157.4 Ų157.473%0.72784%0.838SS**  trans-63.3120.2-178.952.50000113.2
1429Q26.6Very low26.7Very low188 Ų188157 Ų15788%0.87984%0.84SS**  trans-140.8126.3149.3-75-165-6.500110.4
1430S29.5Very low27Very low121 Ų121157.3 Ų157.385%0.84684%0.839SS**  trans51.199.116755.70000118.3
1431G26.3Very low27.2Very low73 Ų73157.5 Ų157.575%0.75384%0.835SS**PPolyproline II helixtrans-65.9148.1176.100000114.4
1432P28.4Very low27.4Very low129 Ų129153.5 Ų153.584%0.83883%0.832SS**PPolyproline II helixtrans-78.8136.6179.931.9-32000111
1433K28.2Very low27.5Very low198 Ų198150.9 Ų150.986%0.86183%0.83SS**PPolyproline II helixtrans-65.2138.2171.2-82.1177.5174.71760110.2
1434P28.6Very low27.6Very low129 Ų129151.1 Ų151.184%0.83883%0.825SS**PPolyproline II helixtrans-77.6123.9-17430.8-32.3000111.3
1435L29.8Very low27.5Very low172 Ų172149.8 Ų149.890%0.90182%0.824SS**PPolyproline II helixtrans-78.7120.5169.1-83.1151.9000109.4
1436S26.8Very low27.8Very low100 Ų100143.3 Ų143.370%0.69982%0.815SS**PPolyproline II helixtrans-68.3148.5174.151.20000112
1437P30.6Very low27.8Very low122 Ų122145.1 Ų145.179%0.79282%0.817SS**PPolyproline II helixtrans-86.3117.1-167.633.6-30.2000111.2
1438N28.5Very low28Very low151 Ų151139.2 Ų139.281%0.80781%0.81SS**  trans-95.7108.9162.6-83.2-10.7000108.7V1440N1438-V1440 PolarHBondContact O-N 3.2Å
1439S27Very low28Very low111 Ų111140 Ų14078%0.77682%0.815SS**  trans-60113168.247.70000110
1440V30Very low28.2Very low130 Ų130135 Ų13579%0.78881%0.806SS**  trans-99.8110.9167.7178.20000107.1N1438 L1442N1438-V1440 PolarHBondContact O-N 3.2Å; V1440-L1442 PolarHBondContact O-N 3.07Å
1441D28.4Very low28Very low144 Ų144135.5 Ų135.577%0.7780%0.804SS**  trans-60.2122.8177-80.1-42.3000111.3Q1443D1441-Q1443 PolarHBondContact O-N 3.05Å; D1441-Q1443 VanDerWaalsContact O-N 3.07Å
1442L27.2Very low27.9Very low170 Ų170142.9 Ų142.989%0.8981%0.811SS**  trans-72.987.8170.8-88.2134.7000109.6V1440 S1444V1440-L1442 PolarHBondContact O-N 3.07Å; L1442-S1444 PolarHBondContact O-N 2.98Å
1443Q26Very low27.8Very low184 Ų184151 Ų15186%0.8683%0.827SS**  trans-73.8111.8160.1-85.6-177.8-14.700109.1D1441D1441-Q1443 PolarHBondContact O-N 3.05Å; D1441-Q1443 VanDerWaalsContact O-N 3.07Å
1444S26.5Very low27.8Very low108 Ų108148.7 Ų148.776%0.75583%0.825SS**  trans-91.3104176.236.80000108.7L1442L1442-S1444 PolarHBondContact O-N 2.98Å
1445D26.3Very low27.8Very low149 Ų149149.7 Ų149.780%0.79783%0.825SS**PPolyproline II helixtrans-75.4132.6169-83.1-32.8000110.2
1446P31.4Very low27.7Very low116 Ų116148.4 Ų148.475%0.75382%0.82SS**PPolyproline II helixtrans-80.7129.3-16930.8-32.7000112
1447F27.3Very low27.7Very low204 Ų204151.3 Ų151.390%0.89583%0.828SS**PPolyproline II helixtrans-62.7125.2172.9-83-94.8000111.3S1449F1447-S1449 PolarHBondContact O-N 3.42Å
1448P30.4Very low27.5Very low120 Ų120153.1 Ų153.178%0.77983%0.83SS**PPolyproline II helixtrans-76.6121.8173.230.1-29.8000109.6A1450P1448-A1450 PolarHBondContact O-N 2.84Å
1449S25.1Very low27.5Very low120 Ų120153.3 Ų153.384%0.83983%0.831SS**  trans-63.2111.7172.851.70000110.6F1447F1447-S1449 PolarHBondContact O-N 3.42Å
1450A29.2Very low27.5Very low83 Ų83156.3 Ų156.369%0.68684%0.835SS**  trans-113.5114.917100000109.9P1448P1448-A1450 PolarHBondContact O-N 2.84Å
1451T25.9Very low27.3Very low132 Ų132158.3 Ų158.381%0.8184%0.839SS**  trans-61.8132.9178.2-34.70000110.9
1452Y25.5Very low27.2Very low229 Ų229159.5 Ų159.590%0.89885%0.845SS**  trans-61.1129.2177.9-79.6-97.9000111.6
1453Y26Very low27.2Very low299 Ų299158.5 Ų158.5100%1.17384%0.84SS**  trans-125.60154-96.2-76.6000108.8

Retrieved 1,453 of 1,453 residues in 1239.7 ms (Link to these results)

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