A0A077Z0N5_TRITR Loading...

Protein ACL-5, isoform b

AlphaFold DB , UniProt , Accession A0A077Z0N5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 401 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
1M29.1Very low58.2Low236 Ų236125.5 Ų125.5100%1.16367%0.672SS**  097.50-94170.4177.700107.8F3M1-F3 PolarHBondContact O-N 3.45Å
2L35.9Very low60.5Low179 Ų179115.1 Ų115.194%0.93762%0.616SS**  trans-68113.4163-76.7159000104.8S4L2-S4 PolarHBondContact O-N 3.3Å
3F37.5Very low62.6Low199 Ų199108.8 Ų108.887%0.87359%0.587SS**  trans-49.4113.9166.5-90.2-96.4000106.5M1 G5M1-F3 PolarHBondContact O-N 3.45Å; F3-G5 PolarHBondContact O-N 3.47Å
4S43.8Very low64.5Low103 Ų103112 Ų11272%0.7259%0.593SS**  trans-63.394.9165.3177.50000104.8L2 T6L2-S4 PolarHBondContact O-N 3.3Å; S4-T6 PolarHBondContact O-N 2.92Å
5G51.2Low66.1Low77 Ų77111.9 Ų111.979%0.79458%0.581SS**  trans-75.451.6-165.800000113.4F3F3-G5 PolarHBondContact O-N 3.47Å
6T59.4Low67.6Low78 Ų78105.5 Ų105.548%0.47955%0.548SS..  trans-90.4117.7163.451.40000107.4S4 I8 E50S4-T6 PolarHBondContact O-N 2.92Å; T6-I8 PolarHBondContact O-N 3.26Å; T6-E50 WeakPolarHBondContact CA-OE1 3.21Å; T6-E50 WeakPolarHBondContact CB-OE1 3.46Å
7L62.1Low68.8Low149 Ų149102.7 Ų102.778%0.7854%0.54SS*.SBendtrans-58-31.1167.9-164.277.3000112.4I49 E50L7-I49 HydrophobicContact CD2-CG2 4.11Å; L7-E50 VanDerWaalsContact CA-OE1 3.27Å; L7-E50 WeakPolarHBondContact CA-OE1 3.25Å; L7-E50 HydrophobicContact CB-CG 4.4Å; L7-E50 WeakPolarHBondContact CB-OE1 3.42Å; L7-E50 PolarHBondContact N-OE1 3.36Å
8I75.8Confident70Confident44 Ų44103.3 Ų103.323%0.22654%0.535CS..SBendtrans-133.2144.8-179.960.5179.4000111.8T6 R10 E46 I49 E50T6-I8 PolarHBondContact O-N 3.26Å; I8-R10 PolarHBondContact O-N 3.16Å; I8-E46 HydrophobicContact CD1-CB 3.86Å; I8-E46 HydrophobicContact CD1-CG 3.92Å; I8-I49 HydrophobicContact CD1-CB 3.94Å; I8-I49 HydrophobicContact CD1-CD1 4.43Å; I8-I49 HydrophobicContact CD1-CG2 3.94Å; I8-I49 HydrophobicContact CG2-CG2 4.37Å; I8-E50 HydrophobicContact CD1-CG 4.15Å; I8-E50 VanDerWaalsContact CG1-CD 3.46Å; I8-E50 HydrophobicContact CG1-CG 3.8Å; I8-E50 PolarHBondContact N-OE1 2.99Å
9E77Confident71Confident145 Ų14598.3 Ų98.368%0.67851%0.508SS*.  trans-76.8120.9167.6-67-170.4165.200109.2E11E9-E11 HydrophobicContact CB-CG 4.04Å; E9-E11 PolarHBondContact O-N 3.09Å
10R82.5Confident71.8Confident60 Ų6094.9 Ų94.923%0.22649%0.49CS..  trans-76.553.9178.9-67.5-167.8177.3170.40.9113I8 K14 E46 E50 E52I8-R10 PolarHBondContact O-N 3.16Å; R10-K14 VanDerWaalsContact O-CG 3.28Å; R10-K14 WeakPolarHBondContact O-CG 3.49Å; R10-K14 PolarHBondContact O-N 3Å; R10-K14 VanDerWaalsContact O-N 3.17Å; R10-E46 WeakPolarHBondContact CA-OE2 3.47Å; R10-E50 IonicContact NE-OE2 3.08Å; R10-E50 PolarHBondContact NH2-O 3.07Å; R10-E52 IonicContact CZ-OE1 2.98Å; R10-E52 IonicContact NH1-OE1 2.87Å; R10-E52 PolarHBondContact NH1-OE1 3.42Å; R10-E52 IonicContact NH2-OE1 2.64Å; R10-E52 PolarHBondContact NH2-OE1 3.42Å
11E85.9Confident72.5Confident110 Ų11095.4 Ų95.451%0.51449%0.487SS..Hα-helixtrans-65.5-45.1-178.8-64.7-175.9145.600111.3E9 K14 R15 K42E9-E11 HydrophobicContact CB-CG 4.04Å; E9-E11 PolarHBondContact O-N 3.09Å; E11-K14 PolarHBondContact O-N 3.09Å; E11-R15 VanDerWaalsContact O-CB 3.28Å; E11-R15 WeakPolarHBondContact O-CB 3.46Å; E11-R15 PolarHBondContact O-N 3.02Å; E11-K42 IonicContact OE2-NZ 2.69Å
12A86.2Confident75.3Confident1 Ų191 Ų911%0.00846%0.464CS..Hα-helixtrans-68.5-40.3-177.500000111.1K14 R15 V16 K42 A43 E46A12-K14 VanDerWaalsContact C-N 3.32Å; A12-K14 PolarHBondContact O-N 3.13Å; A12-R15 WeakPolarHBondContact O-CB 3.38Å; A12-R15 PolarHBondContact O-N 3.36Å; A12-V16 WeakPolarHBondContact O-CB 3.43Å; A12-V16 VanDerWaalsContact O-CG2 3.29Å; A12-V16 WeakPolarHBondContact O-CG2 3.35Å; A12-V16 PolarHBondContact O-N 3.31Å; A12-K42 HydrophobicContact CB-CB 3.73Å; A12-K42 HydrophobicContact CB-CD 3.67Å; A12-K42 HydrophobicContact CB-CG 3.53Å; A12-A43 HydrophobicContact CB-CB 4.21Å; A12-E46 WeakPolarHBondContact CB-OE1 3.3Å; A12-E46 PolarHBondContact N-OE1 3.35Å; A12-E46 PolarHBondContact N-OE2 2.74Å
13S87.7Confident77.7Confident33 Ų3385.7 Ų85.723%0.23143%0.434CS..Hα-helixtrans-60.2-42.4175.6-550000112S17 E46S13-S17 WeakPolarHBondContact O-CB 3.47Å; S13-S17 PolarHBondContact O-N 3.4Å; S13-S17 VanDerWaalsContact O-N 3.07Å; S13-E46 WeakPolarHBondContact CB-OE2 3.43Å; S13-E46 PolarHBondContact N-OE2 2.85Å; S13-E46 PolarHBondContact OG-OE2 3.21Å
14K88.2Confident79.9Confident154 Ų15482.8 Ų82.867%0.6742%0.423SS*.Hα-helixtrans-66-42.2174.4-72.4173.3-175.7176.10111.5R10 E11 A12 S17 Y18R10-K14 VanDerWaalsContact O-CG 3.28Å; R10-K14 WeakPolarHBondContact O-CG 3.49Å; R10-K14 PolarHBondContact O-N 3Å; R10-K14 VanDerWaalsContact O-N 3.17Å; E11-K14 PolarHBondContact O-N 3.09Å; A12-K14 VanDerWaalsContact C-N 3.32Å; A12-K14 PolarHBondContact O-N 3.13Å; K14-S17 WeakPolarHBondContact O-CB 3.48Å; K14-S17 PolarHBondContact O-N 2.91Å; K14-Y18 WeakPolarHBondContact O-CB 3.35Å; K14-Y18 PolarHBondContact O-N 3.43Å
15R89.4Confident81.6Confident110 Ų11078.1 Ų78.142%0.41539%0.39SS..Hα-helixtrans-62.5-46178.5-168.5173.4-159.6-128.2-2112E11 A12 S17 Y18 K19 E35 D39E11-R15 VanDerWaalsContact O-CB 3.28Å; E11-R15 WeakPolarHBondContact O-CB 3.46Å; E11-R15 PolarHBondContact O-N 3.02Å; A12-R15 WeakPolarHBondContact O-CB 3.38Å; A12-R15 PolarHBondContact O-N 3.36Å; R15-S17 VanDerWaalsContact C-N 3.33Å; R15-S17 PolarHBondContact O-N 3.44Å; R15-Y18 PolarHBondContact O-N 3.24Å; R15-K19 HydrophobicContact CG-CD 4.29Å; R15-K19 WeakPolarHBondContact O-CB 3.46Å; R15-K19 WeakPolarHBondContact O-CG 3.49Å; R15-K19 PolarHBondContact O-N 3.04Å; R15-E35 IonicContact CZ-OE1 2.71Å; R15-E35 IonicContact NH1-OE1 3.71Å; R15-E35 PolarHBondContact NH1-OE1 3.45Å; R15-E35 IonicContact NH2-OE1 3.53Å; R15-E35 PolarHBondContact NH2-OE1 2.94Å; R15-D39 WeakPolarHBondContact CD-OD2 3.32Å; R15-D39 IonicContact CZ-OD2 2.79Å; R15-D39 IonicContact NE-OD2 3.13Å; R15-D39 IonicContact NH1-OD1 2.82Å; R15-D39 PolarHBondContact NH1-OD1 3.35Å; R15-D39 VanDerWaalsContact NH1-OD1 3.16Å; R15-D39 IonicContact NH1-OD2 4Å; R15-D39 PolarHBondContact NH1-OD2 3.04Å
16V89.3Confident82.9Confident10 Ų1078.8 Ų78.86%0.06138%0.383CS..Hα-helixtrans-59.4-45.1173.7169.40000110.5A12 K19 I20 D39 F40 A43A12-V16 WeakPolarHBondContact O-CB 3.43Å; A12-V16 VanDerWaalsContact O-CG2 3.29Å; A12-V16 WeakPolarHBondContact O-CG2 3.35Å; A12-V16 PolarHBondContact O-N 3.31Å; V16-K19 PolarHBondContact O-N 3.45Å; V16-I20 HydrophobicContact CG1-CD1 3.65Å; V16-I20 HydrophobicContact CG1-CG1 4.43Å; V16-I20 WeakPolarHBondContact O-CB 3.28Å; V16-I20 VanDerWaalsContact O-CG1 3.25Å; V16-I20 WeakPolarHBondContact O-CG1 3.49Å; V16-I20 PolarHBondContact O-N 3.47Å; V16-D39 HydrophobicContact CG2-CB 3.78Å; V16-F40 HydrophobicContact CG1-CD1 3.71Å; V16-F40 HydrophobicContact CG1-CE1 3.29Å; V16-F40 HydrophobicContact CG1-CZ 3.92Å; V16-F40 HydrophobicContact CG2-CD1 4.21Å; V16-F40 HydrophobicContact CG2-CE1 4.48Å; V16-A43 HydrophobicContact CG2-CB 3.98Å
17S88.2Confident83.8Confident58 Ų5877.5 Ų77.541%0.40639%0.385SS..Hα-helixtrans-61.1-47.6176.6-170.10000111.4S13 K14 R15 K19 I20 Y21S13-S17 WeakPolarHBondContact O-CB 3.47Å; S13-S17 PolarHBondContact O-N 3.4Å; S13-S17 VanDerWaalsContact O-N 3.07Å; K14-S17 WeakPolarHBondContact O-CB 3.48Å; K14-S17 PolarHBondContact O-N 2.91Å; R15-S17 VanDerWaalsContact C-N 3.33Å; R15-S17 PolarHBondContact O-N 3.44Å; S17-K19 PolarHBondContact O-N 2.95Å; S17-I20 PolarHBondContact O-N 3.32Å; S17-Y21 WeakPolarHBondContact O-CB 3.35Å; S17-Y21 WeakPolarHBondContact O-CD2 3.44Å; S17-Y21 PolarHBondContact O-N 3.12Å
18Y90.4Very high84.9Confident114 Ų11474.6 Ų74.645%0.44737%0.37SS..Hα-helixtrans-58.1-47.8176.9-178-103.1000111.6K14 R15 I20 Y21 E22 E23K14-Y18 WeakPolarHBondContact O-CB 3.35Å; K14-Y18 PolarHBondContact O-N 3.43Å; R15-Y18 PolarHBondContact O-N 3.24Å; Y18-I20 VanDerWaalsContact C-N 3.32Å; Y18-I20 PolarHBondContact O-N 3.21Å; Y18-Y21 PolarHBondContact O-N 2.73Å; Y18-E22 HydrophobicContact CD2-CB 3.65Å; Y18-E22 HydrophobicContact CD2-CG 4.28Å; Y18-E22 WeakPolarHBondContact CD2-OE2 3.43Å; Y18-E22 HydrophobicContact CE2-CB 3.64Å; Y18-E22 VanDerWaalsContact CE2-OE2 3.25Å; Y18-E22 WeakPolarHBondContact CE2-OE2 3.37Å; Y18-E22 HydrophobicContact CG-CB 4.43Å; Y18-E22 WeakPolarHBondContact O-CA 3.29Å; Y18-E22 PolarHBondContact O-N 3.44Å; Y18-E23 HydrophobicContact CD1-CB 3.91Å; Y18-E23 HydrophobicContact CD1-CG 4.37Å; Y18-E23 WeakPolarHBondContact CD1-OE2 3.42Å; Y18-E23 HydrophobicContact CE1-CB 3.69Å; Y18-E23 HydrophobicContact CE1-CG 3.85Å; Y18-E23 PolarHBondContact O-N 3.5Å
19K88.9Confident85.3Confident8 Ų873.1 Ų73.14%0.03536%0.363CS..Hα-helixtrans-57.5-40.3176.4-78.7175.9166-163.40113.4R15 V16 S17 E23 E35 D36 D39 R361R15-K19 HydrophobicContact CG-CD 4.29Å; R15-K19 WeakPolarHBondContact O-CB 3.46Å; R15-K19 WeakPolarHBondContact O-CG 3.49Å; R15-K19 PolarHBondContact O-N 3.04Å; V16-K19 PolarHBondContact O-N 3.45Å; S17-K19 PolarHBondContact O-N 2.95Å; K19-E23 WeakPolarHBondContact CG-OE2 3.35Å; K19-E35 IonicContact NZ-OE1 3.79Å; K19-E35 PolarHBondContact NZ-OE1 2.94Å; K19-E35 VanDerWaalsContact NZ-OE1 3.08Å; K19-D36 VanDerWaalsContact CD-OD1 3.3Å; K19-D36 WeakPolarHBondContact CD-OD1 3.46Å; K19-D36 WeakPolarHBondContact CE-OD1 3.42Å; K19-D36 IonicContact NZ-OD1 3.02Å; K19-D36 PolarHBondContact NZ-OD1 3.15Å; K19-D39 WeakPolarHBondContact CE-OD2 3.31Å; K19-D39 IonicContact NZ-OD2 3.96Å; K19-D39 PolarHBondContact NZ-OD2 3.12Å; K19-R361 WeakPolarHBondContact O-CD 3.43Å; K19-R361 PolarHBondContact O-NH1 3.44Å
20I86.8Confident85.7Confident29 Ų2971.1 Ų71.115%0.14936%0.36CS..Hα-helixtrans-77.7-36.5-177.6-67.7169.7000112V16 S17 Y18 F40 K357V16-I20 HydrophobicContact CG1-CD1 3.65Å; V16-I20 HydrophobicContact CG1-CG1 4.43Å; V16-I20 WeakPolarHBondContact O-CB 3.28Å; V16-I20 VanDerWaalsContact O-CG1 3.25Å; V16-I20 WeakPolarHBondContact O-CG1 3.49Å; V16-I20 PolarHBondContact O-N 3.47Å; S17-I20 PolarHBondContact O-N 3.32Å; Y18-I20 VanDerWaalsContact C-N 3.32Å; Y18-I20 PolarHBondContact O-N 3.21Å; I20-F40 HydrophobicContact CD1-CE1 3.96Å; I20-F40 HydrophobicContact CD1-CZ 3.88Å; I20-F40 HydrophobicContact CG1-CZ 4.43Å; I20-K357 HydrophobicContact CG2-CB 3.83Å; I20-K357 HydrophobicContact CG2-CD 4.28Å
21Y87.3Confident85.9Confident107 Ų10773.9 Ų73.942%0.4238%0.375SS..Hα-helixtrans-107.6-27.6-166.5-69.9-72.4000115.2S17 Y18 Q354 K357S17-Y21 WeakPolarHBondContact O-CB 3.35Å; S17-Y21 WeakPolarHBondContact O-CD2 3.44Å; S17-Y21 PolarHBondContact O-N 3.12Å; Y18-Y21 PolarHBondContact O-N 2.73Å; Y21-Q354 PolarHBondContact OH-NE2 2.71Å; Y21-Q354 PolarHBondContact OH-OE1 3.38Å; Y21-K357 HydrophobicContact CE1-CD 3.76Å; Y21-K357 VanDerWaalsContact CE1-NZ 3.27Å; Y21-K357 WeakPolarHBondContact OH-CD 3.49Å; Y21-K357 PolarHBondContact OH-NZ 2.85Å
22E87.9Confident85.9Confident144 Ų14469.2 Ų69.267%0.67335%0.354SS*.THydrogen-bonded Turntrans-127-34.2-166.2-63.8-177.5-165.400112.9Y18Y18-E22 HydrophobicContact CD2-CB 3.65Å; Y18-E22 HydrophobicContact CD2-CG 4.28Å; Y18-E22 WeakPolarHBondContact CD2-OE2 3.43Å; Y18-E22 HydrophobicContact CE2-CB 3.64Å; Y18-E22 VanDerWaalsContact CE2-OE2 3.25Å; Y18-E22 WeakPolarHBondContact CE2-OE2 3.37Å; Y18-E22 HydrophobicContact CG-CB 4.43Å; Y18-E22 WeakPolarHBondContact O-CA 3.29Å; Y18-E22 PolarHBondContact O-N 3.44Å
23E86.2Confident85.9Confident66 Ų6672.3 Ų72.331%0.30837%0.367SS..PPolyproline II helixtrans-87.2126.1-176.5-161.1-179.1161.300111.9Y18 K19 R361Y18-E23 HydrophobicContact CD1-CB 3.91Å; Y18-E23 HydrophobicContact CD1-CG 4.37Å; Y18-E23 WeakPolarHBondContact CD1-OE2 3.42Å; Y18-E23 HydrophobicContact CE1-CB 3.69Å; Y18-E23 HydrophobicContact CE1-CG 3.85Å; Y18-E23 PolarHBondContact O-N 3.5Å; K19-E23 WeakPolarHBondContact CG-OE2 3.35Å; E23-R361 PolarHBondContact O-NH1 3.33Å
24E83.3Confident86Confident139 Ų13977.1 Ų77.165%0.6538%0.384SS*.PPolyproline II helixtrans-77.9129.7164.8-62.8-155.913700109.5K364E24-K364 IonicContact OE1-NZ 4Å
25P80Confident86.1Confident4 Ų472 Ų723%0.02636%0.363CS..PPolyproline II helixtrans-69.4136-177.331.6-35.1000110.1R361 K364 M365P25-R361 HydrophobicContact CB-CG 4.28Å; P25-R361 HydrophobicContact CG-CG 4.17Å; P25-K364 HydrophobicContact CG-CB 4.29Å; P25-M365 HydrophobicContact CB-CE 4.48Å; P25-M365 HydrophobicContact CB-CG 3.33Å; P25-M365 HydrophobicContact CB-SD 3.65Å; P25-M365 HydrophobicContact CG-CG 3.38Å; P25-M365 HydrophobicContact CG-SD 4.33Å
26S77.7Confident86.1Confident92 Ų9266.9 Ų66.964%0.64334%0.344SS*.  trans-144.7129177.457.10000111.2I32S26-I32 VanDerWaalsContact O-CD1 3.3Å; S26-I32 WeakPolarHBondContact O-CD1 3.22Å
27G79.7Confident86.1Confident50 Ų5068.1 Ų68.152%0.51535%0.353SS..SBendtrans121.3-166-179.500000113.9L29G27-L29 PolarHBondContact O-N 3.34Å
28D84Confident86.4Confident89 Ų8969.6 Ų69.648%0.47636%0.356SS..  trans-65.5129.6-178.7171.635.8000112.1V30 H31 I32D28-V30 VanDerWaalsContact C-N 3.34Å; D28-V30 PolarHBondContact O-N 3.44Å; D28-V30 PolarHBondContact OD1-N 3.08Å; D28-H31 HydrophobicContact CB-CB 4.09Å; D28-H31 PolarHBondContact O-N 2.93Å; D28-H31 PolarHBondContact OD2-N 3.42Å; D28-H31 VanDerWaalsContact OD2-N 3.11Å; D28-I32 WeakPolarHBondContact O-CG1 3.38Å; D28-I32 PolarHBondContact O-N 3.48Å
29L84.7Confident86.4Confident13 Ų1365 Ų657%0.06834%0.338CS..Hα-helixtrans-61.4-39.9-179.2179.461.5000112.5G27 F33 I362 M365 L380G27-L29 PolarHBondContact O-N 3.34Å; L29-F33 VanDerWaalsContact O-CB 3.24Å; L29-F33 WeakPolarHBondContact O-CB 3.37Å; L29-F33 PolarHBondContact O-N 2.83Å; L29-I362 HydrophobicContact CD1-CG2 4.43Å; L29-M365 HydrophobicContact CB-CE 4.16Å; L29-M365 HydrophobicContact CD1-CB 3.81Å; L29-M365 HydrophobicContact CD1-CE 3.88Å; L29-M365 HydrophobicContact CD1-CG 4.46Å; L29-M365 HydrophobicContact CD1-SD 3.83Å; L29-L380 HydrophobicContact CD2-CD1 3.46Å; L29-L380 VanDerWaalsContact CD2-CD1 3.46Å; L29-L380 HydrophobicContact CD2-CD2 3.74Å; L29-L380 HydrophobicContact CD2-CG 4.22Å; L29-L380 HydrophobicContact CG-CD1 4.16Å
30V85.4Confident86.6Confident102 Ų10266.3 Ų66.362%0.61834%0.344SS*.Hα-helixtrans-68.7-46.1-179.3-179.40000110.1D28 F33 F34D28-V30 VanDerWaalsContact C-N 3.34Å; D28-V30 PolarHBondContact O-N 3.44Å; D28-V30 PolarHBondContact OD1-N 3.08Å; V30-F33 PolarHBondContact O-N 3.21Å; V30-F34 WeakPolarHBondContact O-CB 3.29Å; V30-F34 PolarHBondContact O-N 3.48Å; V30-F34 VanDerWaalsContact O-N 3.09Å
31H86.2Confident86.8Confident118 Ų11869.9 Ų69.955%0.54636%0.363SS..Hα-helixtrans-58.6-50.2176.3-172.9-80000112.1D28 F34 E35D28-H31 HydrophobicContact CB-CB 4.09Å; D28-H31 PolarHBondContact O-N 2.93Å; D28-H31 PolarHBondContact OD2-N 3.42Å; D28-H31 VanDerWaalsContact OD2-N 3.11Å; H31-F34 PolarHBondContact O-N 2.91Å; H31-E35 IonicContact CE1-OE2 3.94Å; H31-E35 IonicContact ND1-OE2 2.95Å; H31-E35 WeakPolarHBondContact O-CB 3.42Å; H31-E35 PolarHBondContact O-N 3.31Å
32I86.4Confident87.1Confident13 Ų1369.5 Ų69.57%0.06736%0.363CS..Hα-helixtrans-65.1-43.2-179-71.5170.9000111.4S26 D28 F34 E35 D36 M365S26-I32 VanDerWaalsContact O-CD1 3.3Å; S26-I32 WeakPolarHBondContact O-CD1 3.22Å; D28-I32 WeakPolarHBondContact O-CG1 3.38Å; D28-I32 PolarHBondContact O-N 3.48Å; I32-F34 VanDerWaalsContact C-N 3.28Å; I32-F34 PolarHBondContact O-N 3.32Å; I32-E35 PolarHBondContact O-N 3.08Å; I32-D36 VanDerWaalsContact O-CB 3.29Å; I32-D36 WeakPolarHBondContact O-CB 3.4Å; I32-D36 PolarHBondContact O-N 3.45Å; I32-M365 HydrophobicContact CB-CE 3.76Å; I32-M365 HydrophobicContact CB-SD 4.01Å; I32-M365 HydrophobicContact CD1-CE 3.21Å; I32-M365 HydrophobicContact CD1-SD 4.03Å; I32-M365 HydrophobicContact CG1-CE 3.97Å; I32-M365 HydrophobicContact CG2-CE 4.05Å; I32-M365 HydrophobicContact CG2-SD 3.61Å
33F87.1Confident87.2Confident66 Ų6662.6 Ų62.629%0.28933%0.331SS..Hα-helixtrans-60-40.9178.3178.2-95.8000111.9L29 V30 S37 I362 L387L29-F33 VanDerWaalsContact O-CB 3.24Å; L29-F33 WeakPolarHBondContact O-CB 3.37Å; L29-F33 PolarHBondContact O-N 2.83Å; V30-F33 PolarHBondContact O-N 3.21Å; F33-S37 VanDerWaalsContact O-CB 3.31Å; F33-S37 WeakPolarHBondContact O-CB 3.34Å; F33-S37 PolarHBondContact O-N 2.86Å; F33-S37 PolarHBondContact O-OG 3.11Å; F33-I362 HydrophobicContact CD2-CD1 4.19Å; F33-L387 HydrophobicContact CE1-CD1 4.21Å; F33-L387 HydrophobicContact CE2-CD1 4.41Å; F33-L387 HydrophobicContact CZ-CD1 3.59Å
34F88.6Confident87.4Confident134 Ų13459.9 Ų59.959%0.58832%0.321SS*.Hα-helixtrans-68-44.2176.7-173.3-100.8000111.8V30 H31 I32 S37 L38V30-F34 WeakPolarHBondContact O-CB 3.29Å; V30-F34 PolarHBondContact O-N 3.48Å; V30-F34 VanDerWaalsContact O-N 3.09Å; H31-F34 PolarHBondContact O-N 2.91Å; I32-F34 VanDerWaalsContact C-N 3.28Å; I32-F34 PolarHBondContact O-N 3.32Å; F34-S37 WeakPolarHBondContact O-CB 3.21Å; F34-S37 PolarHBondContact O-N 3.4Å; F34-L38 HydrophobicContact CD1-CD1 3.94Å; F34-L38 HydrophobicContact CD1-CG 4.43Å; F34-L38 HydrophobicContact CE1-CD1 3.48Å; F34-L38 VanDerWaalsContact CE1-CD1 3.48Å; F34-L38 HydrophobicContact CE1-CG 4.13Å; F34-L38 HydrophobicContact CZ-CD1 4.1Å; F34-L38 HydrophobicContact CZ-CG 4.4Å; F34-L38 WeakPolarHBondContact O-CG 3.49Å; F34-L38 PolarHBondContact O-N 2.84Å
35E89.8Confident87.7Confident46 Ų4658.8 Ų58.822%0.21532%0.317CS..Hα-helixtrans-62.3-48177.6-168.4-171.6151.900112R15 K19 H31 I32 S37 L38 D39R15-E35 IonicContact CZ-OE1 2.71Å; R15-E35 IonicContact NH1-OE1 3.71Å; R15-E35 PolarHBondContact NH1-OE1 3.45Å; R15-E35 IonicContact NH2-OE1 3.53Å; R15-E35 PolarHBondContact NH2-OE1 2.94Å; K19-E35 IonicContact NZ-OE1 3.79Å; K19-E35 PolarHBondContact NZ-OE1 2.94Å; K19-E35 VanDerWaalsContact NZ-OE1 3.08Å; H31-E35 IonicContact CE1-OE2 3.94Å; H31-E35 IonicContact ND1-OE2 2.95Å; H31-E35 WeakPolarHBondContact O-CB 3.42Å; H31-E35 PolarHBondContact O-N 3.31Å; I32-E35 PolarHBondContact O-N 3.08Å; E35-S37 VanDerWaalsContact C-N 3.29Å; E35-S37 PolarHBondContact O-N 3.25Å; E35-L38 PolarHBondContact O-N 3.28Å; E35-L38 VanDerWaalsContact O-N 3.16Å; E35-D39 PolarHBondContact O-N 3.49Å
36D90.5Very high88.1Confident3 Ų359 Ų592%0.01632%0.318CS..Hα-helixtrans-61.1-41.3177.2-75.14.1000110K19 I32 L38 D39 F40 Y358 R361K19-D36 VanDerWaalsContact CD-OD1 3.3Å; K19-D36 WeakPolarHBondContact CD-OD1 3.46Å; K19-D36 WeakPolarHBondContact CE-OD1 3.42Å; K19-D36 IonicContact NZ-OD1 3.02Å; K19-D36 PolarHBondContact NZ-OD1 3.15Å; I32-D36 VanDerWaalsContact O-CB 3.29Å; I32-D36 WeakPolarHBondContact O-CB 3.4Å; I32-D36 PolarHBondContact O-N 3.45Å; D36-L38 VanDerWaalsContact C-N 3.35Å; D36-L38 PolarHBondContact O-N 2.98Å; D36-D39 PolarHBondContact O-N 2.89Å; D36-F40 HydrophobicContact CB-CD2 4.45Å; D36-F40 HydrophobicContact CB-CE2 4.29Å; D36-F40 WeakPolarHBondContact O-CD2 3.45Å; D36-F40 PolarHBondContact O-N 3.46Å; D36-Y358 HydrophobicContact CB-CE2 4.03Å; D36-Y358 WeakPolarHBondContact CB-OH 3.16Å; D36-R361 IonicContact OD2-CZ 3.76Å; D36-R361 IonicContact OD2-NE 3.47Å; D36-R361 PolarHBondContact OD2-NE 2.75Å; D36-R361 VanDerWaalsContact OD2-NE 3.13Å; D36-R361 IonicContact OD2-NH2 3.07Å
37S89.9Confident88.4Confident36 Ų3656.5 Ų56.525%0.25230%0.303SS..Hα-helixtrans-59.6-42.7175.1-62.80000112.6F33 F34 E35 F40 I41F33-S37 VanDerWaalsContact O-CB 3.31Å; F33-S37 WeakPolarHBondContact O-CB 3.34Å; F33-S37 PolarHBondContact O-N 2.86Å; F33-S37 PolarHBondContact O-OG 3.11Å; F34-S37 WeakPolarHBondContact O-CB 3.21Å; F34-S37 PolarHBondContact O-N 3.4Å; E35-S37 VanDerWaalsContact C-N 3.29Å; E35-S37 PolarHBondContact O-N 3.25Å; S37-F40 PolarHBondContact O-N 3.45Å; S37-I41 VanDerWaalsContact O-CG1 3.25Å; S37-I41 WeakPolarHBondContact O-CG1 3.42Å; S37-I41 PolarHBondContact O-N 3.09Å
38L92.6Very high88.7Confident89 Ų8958.8 Ų58.847%0.46631%0.306SS..Hα-helixtrans-66.1-41.1175.5-70.9178.7000111.8F34 E35 D36 I41 K42F34-L38 HydrophobicContact CD1-CD1 3.94Å; F34-L38 HydrophobicContact CD1-CG 4.43Å; F34-L38 HydrophobicContact CE1-CD1 3.48Å; F34-L38 VanDerWaalsContact CE1-CD1 3.48Å; F34-L38 HydrophobicContact CE1-CG 4.13Å; F34-L38 HydrophobicContact CZ-CD1 4.1Å; F34-L38 HydrophobicContact CZ-CG 4.4Å; F34-L38 WeakPolarHBondContact O-CG 3.49Å; F34-L38 PolarHBondContact O-N 2.84Å; E35-L38 PolarHBondContact O-N 3.28Å; E35-L38 VanDerWaalsContact O-N 3.16Å; D36-L38 VanDerWaalsContact C-N 3.35Å; D36-L38 PolarHBondContact O-N 2.98Å; L38-I41 PolarHBondContact O-N 3.43Å; L38-K42 WeakPolarHBondContact O-CB 3.44Å; L38-K42 PolarHBondContact O-N 3.49Å
39D91.5Very high88.6Confident16 Ų1659.1 Ų59.19%0.08631%0.307CS..Hα-helixtrans-63.3-41.5175.9-77.8-21.5000111.4R15 V16 K19 E35 D36 K42 A43R15-D39 WeakPolarHBondContact CD-OD2 3.32Å; R15-D39 IonicContact CZ-OD2 2.79Å; R15-D39 IonicContact NE-OD2 3.13Å; R15-D39 IonicContact NH1-OD1 2.82Å; R15-D39 PolarHBondContact NH1-OD1 3.35Å; R15-D39 VanDerWaalsContact NH1-OD1 3.16Å; R15-D39 IonicContact NH1-OD2 4Å; R15-D39 PolarHBondContact NH1-OD2 3.04Å; V16-D39 HydrophobicContact CG2-CB 3.78Å; K19-D39 WeakPolarHBondContact CE-OD2 3.31Å; K19-D39 IonicContact NZ-OD2 3.96Å; K19-D39 PolarHBondContact NZ-OD2 3.12Å; E35-D39 PolarHBondContact O-N 3.49Å; D36-D39 PolarHBondContact O-N 2.89Å; D39-K42 PolarHBondContact O-N 2.95Å; D39-A43 WeakPolarHBondContact O-CB 3.4Å; D39-A43 PolarHBondContact O-N 2.8Å
40F92Very high88.2Confident36 Ų3659.8 Ų59.816%0.15831%0.31CS..Hα-helixtrans-63.6-42.2173.8-79.6-65.1000112.4V16 I20 D36 S37 G44 Y358 I401V16-F40 HydrophobicContact CG1-CD1 3.71Å; V16-F40 HydrophobicContact CG1-CE1 3.29Å; V16-F40 HydrophobicContact CG1-CZ 3.92Å; V16-F40 HydrophobicContact CG2-CD1 4.21Å; V16-F40 HydrophobicContact CG2-CE1 4.48Å; I20-F40 HydrophobicContact CD1-CE1 3.96Å; I20-F40 HydrophobicContact CD1-CZ 3.88Å; I20-F40 HydrophobicContact CG1-CZ 4.43Å; D36-F40 HydrophobicContact CB-CD2 4.45Å; D36-F40 HydrophobicContact CB-CE2 4.29Å; D36-F40 WeakPolarHBondContact O-CD2 3.45Å; D36-F40 PolarHBondContact O-N 3.46Å; S37-F40 PolarHBondContact O-N 3.45Å; F40-G44 PolarHBondContact O-N 2.98Å; F40-Y358 HydrophobicContact CE2-CD1 4.38Å; F40-Y358 AromaticContact CE2-CD2 3.66Å; F40-Y358 HydrophobicContact CE2-CD2 3.66Å; F40-Y358 HydrophobicContact CE2-CE1 4.2Å; F40-Y358 AromaticContact CE2-CE2 3.48Å; F40-Y358 HydrophobicContact CE2-CE2 3.48Å; F40-Y358 VanDerWaalsContact CE2-CE2 3.48Å; F40-Y358 HydrophobicContact CE2-CG 4.11Å; F40-Y358 AromaticContact CE2-CZ 3.74Å; F40-Y358 AromaticContact CZ-CD2 3.71Å; F40-Y358 HydrophobicContact CZ-CD2 3.71Å; F40-Y358 HydrophobicContact CZ-CE2 4.03Å; F40-Y358 HydrophobicContact CZ-CG 4.04Å; F40-I401 HydrophobicContact CD1-CG2 3.66Å; F40-I401 HydrophobicContact CE1-CG2 3.79Å
41I92.8Very high87.9Confident105 Ų10557.8 Ų57.854%0.53830%0.296SS..Hα-helixtrans-62.9-47176-69.7164.7000109.9S37 L38 G44 M45S37-I41 VanDerWaalsContact O-CG1 3.25Å; S37-I41 WeakPolarHBondContact O-CG1 3.42Å; S37-I41 PolarHBondContact O-N 3.09Å; L38-I41 PolarHBondContact O-N 3.43Å; I41-G44 PolarHBondContact O-N 2.63Å; I41-M45 HydrophobicContact CG2-SD 4.19Å; I41-M45 WeakPolarHBondContact O-CG 3.28Å; I41-M45 PolarHBondContact O-N 3.25Å
42K92.5Very high87.6Confident98 Ų9855.7 Ų55.743%0.42629%0.286SS..Hα-helixtrans-63.1-46.1178.6-173.3178165.3-168.10111.1E11 A12 L38 D39 G44 M45 E46E11-K42 IonicContact OE2-NZ 2.69Å; A12-K42 HydrophobicContact CB-CB 3.73Å; A12-K42 HydrophobicContact CB-CD 3.67Å; A12-K42 HydrophobicContact CB-CG 3.53Å; L38-K42 WeakPolarHBondContact O-CB 3.44Å; L38-K42 PolarHBondContact O-N 3.49Å; D39-K42 PolarHBondContact O-N 2.95Å; K42-G44 VanDerWaalsContact C-N 3.31Å; K42-G44 PolarHBondContact O-N 2.97Å; K42-M45 WeakPolarHBondContact O-CB 3.49Å; K42-M45 PolarHBondContact O-N 3.24Å; K42-M45 VanDerWaalsContact O-N 3.15Å; K42-E46 WeakPolarHBondContact O-CG 3.39Å; K42-E46 PolarHBondContact O-N 3.4Å
43A90.5Very high87.5Confident0 Ų055.9 Ų55.90%029%0.288CS..Hα-helixtrans-60.8-39.2174.700000112.1A12 V16 D39 E46 A47A12-A43 HydrophobicContact CB-CB 4.21Å; V16-A43 HydrophobicContact CG2-CB 3.98Å; D39-A43 WeakPolarHBondContact O-CB 3.4Å; D39-A43 PolarHBondContact O-N 2.8Å; A43-E46 PolarHBondContact O-N 2.89Å; A43-A47 WeakPolarHBondContact O-CB 3.48Å; A43-A47 PolarHBondContact O-N 3.44Å
44G89.7Confident87.3Confident9 Ų956.4 Ų56.49%0.09330%0.296CS..Hα-helixtrans-63.3-41.6173.400000112.6F40 I41 K42 A47 V48F40-G44 PolarHBondContact O-N 2.98Å; I41-G44 PolarHBondContact O-N 2.63Å; K42-G44 VanDerWaalsContact C-N 3.31Å; K42-G44 PolarHBondContact O-N 2.97Å; G44-A47 PolarHBondContact O-N 2.98Å; G44-V48 VanDerWaalsContact O-CG2 3.3Å; G44-V48 WeakPolarHBondContact O-CG2 3.49Å; G44-V48 PolarHBondContact O-N 2.92Å; G44-V48 VanDerWaalsContact O-N 3.14Å
45M89.9Confident87.1Confident115 Ų11552.4 Ų52.457%0.56729%0.285SS*.Hα-helixtrans-65.7-42.5173.8-69.6176.669.300111.8I41 K42 A47 V48 I49I41-M45 HydrophobicContact CG2-SD 4.19Å; I41-M45 WeakPolarHBondContact O-CG 3.28Å; I41-M45 PolarHBondContact O-N 3.25Å; K42-M45 WeakPolarHBondContact O-CB 3.49Å; K42-M45 PolarHBondContact O-N 3.24Å; K42-M45 VanDerWaalsContact O-N 3.15Å; M45-A47 VanDerWaalsContact C-N 3.33Å; M45-A47 PolarHBondContact O-N 2.72Å; M45-V48 PolarHBondContact O-N 3.36Å; M45-V48 VanDerWaalsContact O-N 3.16Å; M45-I49 VanDerWaalsContact O-CG1 3.3Å; M45-I49 WeakPolarHBondContact O-CG1 3.48Å; M45-I49 PolarHBondContact O-N 3.47Å
46E89.1Confident86.9Confident10 Ų1051.9 Ų51.95%0.04728%0.281CS..Hα-helixtrans-57-46.7174.8-71.8172.9-179.200111.1I8 R10 A12 S13 K42 A43 V48 I49 E50I8-E46 HydrophobicContact CD1-CB 3.86Å; I8-E46 HydrophobicContact CD1-CG 3.92Å; R10-E46 WeakPolarHBondContact CA-OE2 3.47Å; A12-E46 WeakPolarHBondContact CB-OE1 3.3Å; A12-E46 PolarHBondContact N-OE1 3.35Å; A12-E46 PolarHBondContact N-OE2 2.74Å; S13-E46 WeakPolarHBondContact CB-OE2 3.43Å; S13-E46 PolarHBondContact N-OE2 2.85Å; S13-E46 PolarHBondContact OG-OE2 3.21Å; K42-E46 WeakPolarHBondContact O-CG 3.39Å; K42-E46 PolarHBondContact O-N 3.4Å; A43-E46 PolarHBondContact O-N 2.89Å; E46-V48 VanDerWaalsContact C-N 3.27Å; E46-V48 PolarHBondContact O-N 3.32Å; E46-I49 PolarHBondContact O-N 3.41Å; E46-E50 PolarHBondContact O-N 3.01Å
47A84.6Confident86.7Confident39 Ų3952.5 Ų52.532%0.32228%0.284SS..Hα-helixtrans-65.1-27.8178.400000113.5A43 G44 M45A43-A47 WeakPolarHBondContact O-CB 3.48Å; A43-A47 PolarHBondContact O-N 3.44Å; G44-A47 PolarHBondContact O-N 2.98Å; M45-A47 VanDerWaalsContact C-N 3.33Å; M45-A47 PolarHBondContact O-N 2.72Å
48V84.6Confident86.4Confident97 Ų9752.8 Ų52.859%0.58829%0.286SS*.Hα-helixtrans-81.1-39.9176.3170.70000111.9G44 M45 E46 V399G44-V48 VanDerWaalsContact O-CG2 3.3Å; G44-V48 WeakPolarHBondContact O-CG2 3.49Å; G44-V48 PolarHBondContact O-N 2.92Å; G44-V48 VanDerWaalsContact O-N 3.14Å; M45-V48 PolarHBondContact O-N 3.36Å; M45-V48 VanDerWaalsContact O-N 3.16Å; E46-V48 VanDerWaalsContact C-N 3.27Å; E46-V48 PolarHBondContact O-N 3.32Å; V48-V399 HydrophobicContact CG2-CG2 4.31Å
49I82.1Confident85.8Confident96 Ų9651.4 Ų51.449%0.49228%0.283SS..Hα-helixtrans-67.5-42.1179.9-68.5165.2000110.4L7 I8 M45 E46L7-I49 HydrophobicContact CD2-CG2 4.11Å; I8-I49 HydrophobicContact CD1-CB 3.94Å; I8-I49 HydrophobicContact CD1-CD1 4.43Å; I8-I49 HydrophobicContact CD1-CG2 3.94Å; I8-I49 HydrophobicContact CG2-CG2 4.37Å; M45-I49 VanDerWaalsContact O-CG1 3.3Å; M45-I49 WeakPolarHBondContact O-CG1 3.48Å; M45-I49 PolarHBondContact O-N 3.47Å; E46-I49 PolarHBondContact O-N 3.41Å
50E76Confident85.1Confident27 Ų2752.1 Ų52.113%0.12629%0.292CS..THydrogen-bonded Turntrans-11668177.8-71.7-171.5168.900112.3T6 L7 I8 R10 E46 E52T6-E50 WeakPolarHBondContact CA-OE1 3.21Å; T6-E50 WeakPolarHBondContact CB-OE1 3.46Å; L7-E50 VanDerWaalsContact CA-OE1 3.27Å; L7-E50 WeakPolarHBondContact CA-OE1 3.25Å; L7-E50 HydrophobicContact CB-CG 4.4Å; L7-E50 WeakPolarHBondContact CB-OE1 3.42Å; L7-E50 PolarHBondContact N-OE1 3.36Å; I8-E50 HydrophobicContact CD1-CG 4.15Å; I8-E50 VanDerWaalsContact CG1-CD 3.46Å; I8-E50 HydrophobicContact CG1-CG 3.8Å; I8-E50 PolarHBondContact N-OE1 2.99Å; R10-E50 IonicContact NE-OE2 3.08Å; R10-E50 PolarHBondContact NH2-O 3.07Å; E46-E50 PolarHBondContact O-N 3.01Å; E50-E52 PolarHBondContact O-N 3.44Å; E50-E52 VanDerWaalsContact O-N 3.08Å
51D80.5Confident84.2Confident61 Ų6159.5 Ų59.533%0.32633%0.327SS..  trans-70.2108176.8-169.8-20.5000111.8V53 T54 S55D51-V53 VanDerWaalsContact C-N 3.29Å; D51-V53 PolarHBondContact O-N 3.34Å; D51-V53 WeakPolarHBondContact OD1-CA 3.43Å; D51-V53 PolarHBondContact OD1-N 3.45Å; D51-T54 PolarHBondContact OD1-N 3.22Å; D51-T54 WeakPolarHBondContact OD2-CB 3.15Å; D51-T54 PolarHBondContact OD2-OG1 3.41Å; D51-S55 WeakPolarHBondContact O-CB 3.18Å; D51-S55 PolarHBondContact O-OG 3.31Å
52E79.4Confident82.9Confident74 Ų7457.4 Ų57.435%0.34632%0.316SS..THydrogen-bonded Turntrans-70.7-21.2177.7-82.9173.8-157.700114.2R10 E50 R56R10-E52 IonicContact CZ-OE1 2.98Å; R10-E52 IonicContact NH1-OE1 2.87Å; R10-E52 PolarHBondContact NH1-OE1 3.42Å; R10-E52 IonicContact NH2-OE1 2.64Å; R10-E52 PolarHBondContact NH2-OE1 3.42Å; E50-E52 PolarHBondContact O-N 3.44Å; E50-E52 VanDerWaalsContact O-N 3.08Å; E52-R56 WeakPolarHBondContact O-CG 3.21Å; E52-R56 PolarHBondContact O-NE 3.29Å; E52-R56 VanDerWaalsContact O-NE 3.13Å
53V83.3Confident81.5Confident17 Ų1759.9 Ų59.910%0.10334%0.34CS..THydrogen-bonded Turntrans-105.7-55.7-167.6-177.70000110.9D51 S55 R56 F57 W337D51-V53 VanDerWaalsContact C-N 3.29Å; D51-V53 PolarHBondContact O-N 3.34Å; D51-V53 WeakPolarHBondContact OD1-CA 3.43Å; D51-V53 PolarHBondContact OD1-N 3.45Å; V53-S55 VanDerWaalsContact C-N 3.3Å; V53-S55 PolarHBondContact O-N 3.18Å; V53-R56 WeakPolarHBondContact O-CB 2.88Å; V53-R56 PolarHBondContact O-N 2.89Å; V53-R56 VanDerWaalsContact O-N 3.1Å; V53-F57 HydrophobicContact CG1-CE2 3.8Å; V53-F57 HydrophobicContact CG1-CZ 4.32Å; V53-W337 HydrophobicContact CG1-CB 4.44Å; V53-W337 HydrophobicContact CG2-CB 3.94Å; V53-W337 HydrophobicContact CG2-CD2 3.7Å; V53-W337 HydrophobicContact CG2-CG 3.37Å
54T83.4Confident80.5Confident76 Ų7663.7 Ų63.747%0.46636%0.363SS..G310 helixtrans-66.9-35-172.7-52.10000111.8D51 R56 F57D51-T54 PolarHBondContact OD1-N 3.22Å; D51-T54 WeakPolarHBondContact OD2-CB 3.15Å; D51-T54 PolarHBondContact OD2-OG1 3.41Å; T54-R56 PolarHBondContact O-N 3.47Å; T54-R56 VanDerWaalsContact O-N 3.13Å; T54-F57 PolarHBondContact O-N 2.88Å
55S83.9Confident79.4Confident51 Ų5167.6 Ų67.636%0.35738%0.375SS..G310 helixtrans-57.7-25.3175.7590000113D51 V53 F57 S58 N243D51-S55 WeakPolarHBondContact O-CB 3.18Å; D51-S55 PolarHBondContact O-OG 3.31Å; V53-S55 VanDerWaalsContact C-N 3.3Å; V53-S55 PolarHBondContact O-N 3.18Å; S55-F57 VanDerWaalsContact C-N 3.34Å; S55-S58 PolarHBondContact O-N 3.1Å; S55-S58 PolarHBondContact O-OG 2.97Å; S55-N243 PolarHBondContact O-ND2 3.19Å
56R86.2Confident78.4Confident34 Ų3462.7 Ų62.713%0.12835%0.351CS..G310 helixtrans-79.8-15.3179.5-46.5-59.5-178.4136.83.6113.7E52 V53 T54 V242 N243 T245 S246 M248 L335E52-R56 WeakPolarHBondContact O-CG 3.21Å; E52-R56 PolarHBondContact O-NE 3.29Å; E52-R56 VanDerWaalsContact O-NE 3.13Å; V53-R56 WeakPolarHBondContact O-CB 2.88Å; V53-R56 PolarHBondContact O-N 2.89Å; V53-R56 VanDerWaalsContact O-N 3.1Å; T54-R56 PolarHBondContact O-N 3.47Å; T54-R56 VanDerWaalsContact O-N 3.13Å; R56-V242 HydrophobicContact CB-CG1 3.86Å; R56-N243 WeakPolarHBondContact CA-ND2 3.37Å; R56-N243 WeakPolarHBondContact O-CB 3.43Å; R56-N243 PolarHBondContact O-N 3.44Å; R56-T245 VanDerWaalsContact CD-OG1 3.28Å; R56-T245 WeakPolarHBondContact CD-OG1 3.39Å; R56-T245 PolarHBondContact NH1-O 3.34Å; R56-T245 PolarHBondContact NH1-OG1 3.41Å; R56-S246 WeakPolarHBondContact CD-OG 3.01Å; R56-S246 VanDerWaalsContact NH1-CB 3.3Å; R56-S246 PolarHBondContact NH1-OG 3.3Å; R56-M248 HydrophobicContact CB-CE 3.45Å; R56-M248 VanDerWaalsContact CB-CE 3.45Å; R56-M248 HydrophobicContact CG-CE 3.79Å; R56-L335 HydrophobicContact CG-CD1 3.95Å
57F85.9Confident77.4Confident16 Ų1665.2 Ų65.27%0.0736%0.364CS..G310 helixtrans-96.75.1175.4-55.2-51.1000113.3V53 T54 S55 T240 V242 M248 F276 N278 K342V53-F57 HydrophobicContact CG1-CE2 3.8Å; V53-F57 HydrophobicContact CG1-CZ 4.32Å; T54-F57 PolarHBondContact O-N 2.88Å; S55-F57 VanDerWaalsContact C-N 3.34Å; F57-T240 HydrophobicContact CE1-CG2 4.19Å; F57-V242 HydrophobicContact CE1-CG2 4.31Å; F57-M248 HydrophobicContact CE1-CE 3.95Å; F57-M248 HydrophobicContact CZ-CE 3.88Å; F57-F276 VanDerWaalsContact C-CZ 3.48Å; F57-F276 VanDerWaalsContact O-CE1 3.28Å; F57-F276 WeakPolarHBondContact O-CE1 3.01Å; F57-F276 VanDerWaalsContact O-CZ 3.22Å; F57-F276 WeakPolarHBondContact O-CZ 3.08Å; F57-N278 PolarHBondContact O-ND2 3.3Å; F57-N278 VanDerWaalsContact O-ND2 3.12Å; F57-K342 HydrophobicContact CB-CD 4.34Å; F57-K342 HydrophobicContact CB-CG 4.23Å; F57-K342 HydrophobicContact CD1-CB 4Å; F57-K342 HydrophobicContact CD1-CD 3.67Å; F57-K342 HydrophobicContact CD1-CG 3.94Å; F57-K342 HydrophobicContact CD2-CB 3.88Å; F57-K342 HydrophobicContact CD2-CG 4.04Å; F57-K342 HydrophobicContact CE1-CB 3.85Å; F57-K342 HydrophobicContact CE1-CD 4.12Å; F57-K342 HydrophobicContact CE1-CG 4.3Å; F57-K342 HydrophobicContact CE2-CB 3.71Å; F57-K342 HydrophobicContact CE2-CG 4.39Å; F57-K342 HydrophobicContact CG-CB 4.02Å; F57-K342 HydrophobicContact CG-CD 3.99Å; F57-K342 HydrophobicContact CG-CG 3.81Å; F57-K342 HydrophobicContact CZ-CB 3.71Å
58S84.5Confident76.5Confident43 Ų4365 Ų6530%0.30136%0.358SS..SBendtrans-110.2155.6166.640.50000110.4S55 A60 N243S55-S58 PolarHBondContact O-N 3.1Å; S55-S58 PolarHBondContact O-OG 2.97Å; S58-A60 PolarHBondContact O-N 2.88Å; S58-N243 WeakPolarHBondContact O-CB 3.39Å; S58-N243 PolarHBondContact O-ND2 3.4Å
59S79.7Confident75.5Confident59 Ų5963.1 Ų63.141%0.41335%0.347SS..PPolyproline II helixtrans-48.3136.6169.9-64.10000110.5E61 D274S59-E61 PolarHBondContact O-N 3.07Å; S59-D274 WeakPolarHBondContact CB-OD2 3.35Å; S59-D274 PolarHBondContact OG-OD2 3.15Å
60A77.2Confident74.4Confident31 Ų3168 Ų6826%0.25636%0.359SS..PPolyproline II helixtrans-64.1123.217900000109.3S58 L62 T245S58-A60 PolarHBondContact O-N 2.88Å; A60-L62 PolarHBondContact O-N 3.19Å; A60-T245 HydrophobicContact CB-CG2 3.68Å
61E72.2Confident73.3Confident192 Ų19269.9 Ų69.990%0.89737%0.372SS*.PPolyproline II helixtrans-72.3120.3171.5-64.9-169.4166.800108.4S59S59-E61 PolarHBondContact O-N 3.07Å
62L66.4Low72.1Confident61 Ų6176.6 Ų76.632%0.31940%0.399SS..PPolyproline II helixtrans-82.2133.3174.3-63169.8000109.2A60 T64 N66 A270A60-L62 PolarHBondContact O-N 3.19Å; L62-T64 WeakPolarHBondContact CB-O 3.41Å; L62-T64 PolarHBondContact O-N 3.39Å; L62-N66 HydrophobicContact CD1-CB 3.84Å; L62-N66 VanDerWaalsContact CD1-ND2 3.28Å; L62-N66 WeakPolarHBondContact CD1-ND2 3.37Å; L62-A270 HydrophobicContact CD1-CB 4.01Å; L62-A270 VanDerWaalsContact CD1-O 3.29Å; L62-A270 WeakPolarHBondContact CD1-O 3.48Å; L62-A270 HydrophobicContact CD2-CB 3.61Å; L62-A270 HydrophobicContact CG-CB 4.22Å
63T62.5Low71Confident149 Ų14979.5 Ų79.591%0.91442%0.416SS*.SBendtrans-66.5-23170.654.90000111.9
64T69.6Low70Confident80 Ų8088.2 Ų88.249%0.49145%0.453SS..SBendtrans-102.9145.417951.90000111L62 N66L62-T64 WeakPolarHBondContact CB-O 3.41Å; L62-T64 PolarHBondContact O-N 3.39Å; T64-N66 PolarHBondContact O-N 2.89Å
65W66.6Low69.8Low92 Ų9287 Ų8735%0.34845%0.447SS..  trans-63.1131.1171-172.189.2000109.3L67 L78 V81W65-L67 HydrophobicContact CH2-CD2 4.14Å; W65-L67 HydrophobicContact CZ3-CD2 3.8Å; W65-L67 HydrophobicContact CZ3-CG 4.45Å; W65-L78 HydrophobicContact CD2-CD2 4.26Å; W65-L78 HydrophobicContact CZ2-CD2 4.45Å; W65-V81 HydrophobicContact CH2-CG1 3.93Å
66N70Confident69.7Low12 Ų1293.3 Ų93.36%0.06446%0.463CS..  trans-116.5168.5175.873.2-4.6000110.2L62 T64 L68 T69 A270L62-N66 HydrophobicContact CD1-CB 3.84Å; L62-N66 VanDerWaalsContact CD1-ND2 3.28Å; L62-N66 WeakPolarHBondContact CD1-ND2 3.37Å; T64-N66 PolarHBondContact O-N 2.89Å; N66-L68 PolarHBondContact O-N 3.42Å; N66-L68 PolarHBondContact OD1-N 2.76Å; N66-T69 VanDerWaalsContact CG-OG1 3.26Å; N66-T69 PolarHBondContact ND2-OG1 2.89Å; N66-T69 WeakPolarHBondContact OD1-CA 3.44Å; N66-T69 WeakPolarHBondContact OD1-CB 3.46Å; N66-T69 PolarHBondContact OD1-N 3.26Å; N66-T69 PolarHBondContact OD1-OG1 2.74Å; N66-A270 PolarHBondContact ND2-O 3.44Å
67L67Low69.6Low62 Ų6298.1 Ų98.133%0.32549%0.485SS..SBendtrans-74.74.1-175.8-61.2165.2000114.1W65 W295W65-L67 HydrophobicContact CH2-CD2 4.14Å; W65-L67 HydrophobicContact CZ3-CD2 3.8Å; W65-L67 HydrophobicContact CZ3-CG 4.45Å; L67-W295 HydrophobicContact CB-CD2 4.37Å; L67-W295 HydrophobicContact CB-CG 4.3Å; L67-W295 HydrophobicContact CB-CZ2 4.22Å; L67-W295 HydrophobicContact CD1-CD2 4.12Å; L67-W295 HydrophobicContact CD1-CG 4.34Å; L67-W295 HydrophobicContact CD1-CZ2 4.43Å; L67-W295 PolarHBondContact O-NE1 2.88Å
68L65.7Low69.5Low35 Ų35100.2 Ų100.218%0.18350%0.497CS..SBendtrans-114-40.3-177.5-68.4176.8000112.7N66 R70N66-L68 PolarHBondContact O-N 3.42Å; N66-L68 PolarHBondContact OD1-N 2.76Å; L68-R70 PolarHBondContact O-N 3.01Å
69T64.7Low69.4Low58 Ų58101 Ų10136%0.35650%0.503SS..  trans-79.4117.1-169.4-44.90000109.9N66 T71N66-T69 VanDerWaalsContact CG-OG1 3.26Å; N66-T69 PolarHBondContact ND2-OG1 2.89Å; N66-T69 WeakPolarHBondContact OD1-CA 3.44Å; N66-T69 WeakPolarHBondContact OD1-CB 3.46Å; N66-T69 PolarHBondContact OD1-N 3.26Å; N66-T69 PolarHBondContact OD1-OG1 2.74Å; T69-T71 HydrophobicContact CG2-CG2 3.55Å; T69-T71 PolarHBondContact O-N 2.91Å
70R58.1Low69.8Low198 Ų198102.9 Ų102.975%0.74751%0.507SS*.  trans-77.171.5161.1-171.3-178.3178.4-175.70.7108L68L68-R70 PolarHBondContact O-N 3.01Å
71T52.2Low70.2Confident67 Ų67105 Ų10541%0.41152%0.516SS..  trans-69.7155.8172.131.90000110.4T69 L73T69-T71 HydrophobicContact CG2-CG2 3.55Å; T69-T71 PolarHBondContact O-N 2.91Å; T71-L73 PolarHBondContact O-N 3.24Å
72K56.5Low70.8Confident201 Ų20198.5 Ų98.587%0.87448%0.484SS*.SBendtrans-62.16.6-172.1-62.2176.8178.21750115.5F74K72-F74 PolarHBondContact O-N 2.85Å
73L56.7Low71.9Confident136 Ų13698.5 Ų98.571%0.71249%0.487SS*.  trans-87.496.3-175.6-78.6156.3000110.5T71 S75T71-L73 PolarHBondContact O-N 3.24Å; L73-S75 PolarHBondContact O-N 2.87Å
74F61.8Low73.3Confident200 Ų20095.6 Ų95.688%0.87747%0.468SS*.  trans-69.542.8-170.4-111.5-95.6000115.5K72K72-F74 PolarHBondContact O-N 2.85Å
75S79Confident74.2Confident49 Ų4992.1 Ų92.134%0.34345%0.448SS..  trans-85.5129.8167.382.90000110.3L73 K77 L78 S79L73-S75 PolarHBondContact O-N 2.87Å; S75-K77 PolarHBondContact O-N 3.32Å; S75-L78 PolarHBondContact O-N 3.38Å; S75-L78 WeakPolarHBondContact OG-CB 3.33Å; S75-L78 WeakPolarHBondContact OG-CD1 3.49Å; S75-L78 WeakPolarHBondContact OG-CG 3.28Å; S75-L78 PolarHBondContact OG-N 3.31Å; S75-S79 PolarHBondContact O-N 2.74Å; S75-S79 VanDerWaalsContact O-N 3.09Å; S75-S79 PolarHBondContact O-OG 3.4Å; S75-S79 VanDerWaalsContact O-OG 3.12Å
76W82.1Confident75.4Confident184 Ų18490.1 Ų90.170%0.69744%0.444SS*.Hα-helixtrans-59.7-31.1178.170.2-93.8000112S79 L80W76-S79 WeakPolarHBondContact O-CB 3.34Å; W76-S79 PolarHBondContact O-N 2.94Å; W76-L80 HydrophobicContact CZ3-CD2 4.39Å; W76-L80 PolarHBondContact O-N 3Å
77K84.3Confident76.5Confident136 Ų13694.1 Ų94.159%0.59147%0.465SS*.Hα-helixtrans-61.9-49176-65.1-175.7-179.7-1800111.7S75 S79 L80 V81S75-K77 PolarHBondContact O-N 3.32Å; K77-S79 VanDerWaalsContact C-N 3.29Å; K77-S79 PolarHBondContact O-N 2.88Å; K77-L80 PolarHBondContact O-N 2.66Å; K77-V81 WeakPolarHBondContact O-CG2 3.38Å; K77-V81 PolarHBondContact O-N 2.99Å
78L82.6Confident77.8Confident60 Ų6095.2 Ų95.231%0.31447%0.467SS..Hα-helixtrans-65.8-34.9176.4-70.6172.9000111.6W65 S75 V81 W82W65-L78 HydrophobicContact CD2-CD2 4.26Å; W65-L78 HydrophobicContact CZ2-CD2 4.45Å; S75-L78 PolarHBondContact O-N 3.38Å; S75-L78 WeakPolarHBondContact OG-CB 3.33Å; S75-L78 WeakPolarHBondContact OG-CD1 3.49Å; S75-L78 WeakPolarHBondContact OG-CG 3.28Å; S75-L78 PolarHBondContact OG-N 3.31Å; L78-V81 PolarHBondContact O-N 3.31Å; L78-W82 WeakPolarHBondContact O-CB 3.41Å; L78-W82 PolarHBondContact O-N 3.41Å
79S82.9Confident79Confident60 Ų6094.6 Ų94.642%0.4246%0.462SS..Hα-helixtrans-64-41.2175.6-57.90000111.6S75 W76 K77 W82 T83S75-S79 PolarHBondContact O-N 2.74Å; S75-S79 VanDerWaalsContact O-N 3.09Å; S75-S79 PolarHBondContact O-OG 3.4Å; S75-S79 VanDerWaalsContact O-OG 3.12Å; W76-S79 WeakPolarHBondContact O-CB 3.34Å; W76-S79 PolarHBondContact O-N 2.94Å; K77-S79 VanDerWaalsContact C-N 3.29Å; K77-S79 PolarHBondContact O-N 2.88Å; S79-W82 PolarHBondContact O-N 3.45Å; S79-T83 WeakPolarHBondContact O-CB 3.45Å; S79-T83 PolarHBondContact O-N 3.14Å; S79-T83 PolarHBondContact O-OG1 2.94Å; S79-T83 VanDerWaalsContact O-OG1 3.08Å
80L87.1Confident80.4Confident98 Ų9897.5 Ų97.551%0.51347%0.468SS..Hα-helixtrans-62.7-48.7174.8-178.267000111.4W76 K77 W82 T83 V84W76-L80 HydrophobicContact CZ3-CD2 4.39Å; W76-L80 PolarHBondContact O-N 3Å; K77-L80 PolarHBondContact O-N 2.66Å; L80-W82 VanDerWaalsContact C-N 3.29Å; L80-W82 PolarHBondContact O-N 3.48Å; L80-T83 PolarHBondContact O-N 3.34Å; L80-V84 HydrophobicContact CD1-CG2 4.49Å; L80-V84 WeakPolarHBondContact O-CG2 3.4Å; L80-V84 PolarHBondContact O-N 3.29Å
81V86.3Confident82.2Confident74 Ų7492.2 Ų92.245%0.44846%0.46SS..Hα-helixtrans-59.2-42.7177.81750000110.9W65 K77 L78 G85W65-V81 HydrophobicContact CH2-CG1 3.93Å; K77-V81 WeakPolarHBondContact O-CG2 3.38Å; K77-V81 PolarHBondContact O-N 2.99Å; L78-V81 PolarHBondContact O-N 3.31Å; V81-G85 PolarHBondContact O-N 3.41Å
82W85.8Confident84.1Confident56 Ų5692 Ų9221%0.21246%0.459CS..Hα-helixtrans-63.5-43.9175.7179.489000112.3L78 S79 L80 G85 L86L78-W82 WeakPolarHBondContact O-CB 3.41Å; L78-W82 PolarHBondContact O-N 3.41Å; S79-W82 PolarHBondContact O-N 3.45Å; L80-W82 VanDerWaalsContact C-N 3.29Å; L80-W82 PolarHBondContact O-N 3.48Å; W82-G85 CarbonylContact O-C 3.54Å; W82-G85 PolarHBondContact O-N 2.86Å; W82-L86 HydrophobicContact CH2-CD2 3.78Å; W82-L86 HydrophobicContact CZ2-CD1 4.5Å; W82-L86 HydrophobicContact CZ2-CD2 4.47Å; W82-L86 HydrophobicContact CZ3-CD2 3.96Å; W82-L86 WeakPolarHBondContact O-CB 3.44Å; W82-L86 PolarHBondContact O-N 3.44Å
83T88.5Confident85.9Confident62 Ų6283.6 Ų83.638%0.3842%0.423SS..Hα-helixtrans-64.9-42.9178-64.60000111.5S79 L80 G85 L86 I87S79-T83 WeakPolarHBondContact O-CB 3.45Å; S79-T83 PolarHBondContact O-N 3.14Å; S79-T83 PolarHBondContact O-OG1 2.94Å; S79-T83 VanDerWaalsContact O-OG1 3.08Å; L80-T83 PolarHBondContact O-N 3.34Å; T83-G85 VanDerWaalsContact C-N 3.32Å; T83-G85 PolarHBondContact O-N 2.86Å; T83-L86 WeakPolarHBondContact O-CB 3.17Å; T83-L86 PolarHBondContact O-N 3.31Å; T83-I87 HydrophobicContact CG2-CD1 4.14Å; T83-I87 WeakPolarHBondContact O-CG1 3.39Å; T83-I87 PolarHBondContact O-N 3.29Å
84V91.2Very high87.6Confident87 Ų8779.8 Ų79.853%0.52740%0.401SS..Hα-helixtrans-60.5-44.6173.31720000110.3L80 L86 I87 F88L80-V84 HydrophobicContact CD1-CG2 4.49Å; L80-V84 WeakPolarHBondContact O-CG2 3.4Å; L80-V84 PolarHBondContact O-N 3.29Å; V84-L86 VanDerWaalsContact C-N 3.33Å; V84-L86 PolarHBondContact O-N 3.44Å; V84-I87 PolarHBondContact O-N 3.4Å; V84-F88 WeakPolarHBondContact O-CB 3.43Å; V84-F88 PolarHBondContact O-N 2.94Å
85G90.4Very high89.2Confident7 Ų773.2 Ų73.27%0.07238%0.378CS..Hα-helixtrans-61.1-39.2174.600000113V81 W82 T83 F88 R89V81-G85 PolarHBondContact O-N 3.41Å; W82-G85 CarbonylContact O-C 3.54Å; W82-G85 PolarHBondContact O-N 2.86Å; T83-G85 VanDerWaalsContact C-N 3.32Å; T83-G85 PolarHBondContact O-N 2.86Å; G85-F88 PolarHBondContact O-N 3.2Å; G85-R89 WeakPolarHBondContact O-CB 3.48Å; G85-R89 WeakPolarHBondContact O-CG 3.29Å; G85-R89 PolarHBondContact O-N 3.17Å
86L89.9Confident89.9Confident50 Ų5074.4 Ų74.426%0.26238%0.383SS..Hα-helixtrans-62.3-50174.6-176.372.6000110.9W82 T83 V84 F88 R89 Y90W82-L86 HydrophobicContact CH2-CD2 3.78Å; W82-L86 HydrophobicContact CZ2-CD1 4.5Å; W82-L86 HydrophobicContact CZ2-CD2 4.47Å; W82-L86 HydrophobicContact CZ3-CD2 3.96Å; W82-L86 WeakPolarHBondContact O-CB 3.44Å; W82-L86 PolarHBondContact O-N 3.44Å; T83-L86 WeakPolarHBondContact O-CB 3.17Å; T83-L86 PolarHBondContact O-N 3.31Å; V84-L86 VanDerWaalsContact C-N 3.33Å; V84-L86 PolarHBondContact O-N 3.44Å; L86-F88 VanDerWaalsContact C-N 3.32Å; L86-F88 PolarHBondContact O-N 3.14Å; L86-R89 VanDerWaalsContact CD1-NH2 3.29Å; L86-R89 PolarHBondContact O-N 3.19Å; L86-Y90 HydrophobicContact CD1-CD2 3.72Å; L86-Y90 HydrophobicContact CD1-CE2 3.46Å; L86-Y90 VanDerWaalsContact CD1-CE2 3.46Å; L86-Y90 HydrophobicContact CG-CD2 4.22Å; L86-Y90 HydrophobicContact CG-CE2 4.42Å; L86-Y90 WeakPolarHBondContact O-CD2 3.41Å; L86-Y90 PolarHBondContact O-N 2.86Å; L86-Y90 VanDerWaalsContact O-N 3.08Å
87I93.6Very high90.4Very high97 Ų9765.8 Ų65.850%0.49735%0.351SS..Hα-helixtrans-58-47.8177.6-66.8165.8000109.9T83 V84 R89 Y90 C91T83-I87 HydrophobicContact CG2-CD1 4.14Å; T83-I87 WeakPolarHBondContact O-CG1 3.39Å; T83-I87 PolarHBondContact O-N 3.29Å; V84-I87 PolarHBondContact O-N 3.4Å; I87-R89 PolarHBondContact O-N 3.16Å; I87-Y90 PolarHBondContact O-N 2.93Å; I87-C91 WeakPolarHBondContact O-CB 3.44Å; I87-C91 PolarHBondContact O-N 3.48Å; I87-C91 PolarHBondContact O-SG 3.18Å
88F93.8Very high90.8Very high85 Ų8561.4 Ų61.437%0.37334%0.337SS..Hα-helixtrans-60.2-43.6178.8-175.9-99.5000112.7V84 G85 L86 Y90 V92 L93 W295V84-F88 WeakPolarHBondContact O-CB 3.43Å; V84-F88 PolarHBondContact O-N 2.94Å; G85-F88 PolarHBondContact O-N 3.2Å; L86-F88 VanDerWaalsContact C-N 3.32Å; L86-F88 PolarHBondContact O-N 3.14Å; F88-Y90 PolarHBondContact O-N 2.87Å; F88-V92 HydrophobicContact CD2-CB 4.01Å; F88-V92 HydrophobicContact CD2-CG1 4.49Å; F88-V92 HydrophobicContact CD2-CG2 3.84Å; F88-V92 HydrophobicContact CE2-CB 3.91Å; F88-V92 HydrophobicContact CE2-CG1 3.89Å; F88-V92 HydrophobicContact CE2-CG2 3.99Å; F88-V92 HydrophobicContact CZ-CB 4.33Å; F88-V92 HydrophobicContact CZ-CG1 4.11Å; F88-V92 WeakPolarHBondContact O-CA 3.35Å; F88-V92 VanDerWaalsContact O-CB 3.29Å; F88-V92 WeakPolarHBondContact O-CB 3.44Å; F88-V92 PolarHBondContact O-N 3.34Å; F88-L93 HydrophobicContact CD1-CD1 4.17Å; F88-L93 HydrophobicContact CD1-CD2 4.46Å; F88-L93 HydrophobicContact CD1-CG 3.96Å; F88-L93 HydrophobicContact CE1-CD1 3.99Å; F88-L93 HydrophobicContact CE1-CD2 3.66Å; F88-L93 HydrophobicContact CE1-CG 3.64Å; F88-L93 HydrophobicContact CZ-CD2 4.17Å; F88-L93 HydrophobicContact CZ-CG 4.49Å; F88-L93 PolarHBondContact O-N 3.15Å; F88-L93 VanDerWaalsContact O-N 3.15Å; F88-W295 HydrophobicContact CD1-CE3 4.24Å; F88-W295 AromaticContact CD1-CH2 3.68Å; F88-W295 HydrophobicContact CD1-CH2 3.68Å; F88-W295 AromaticContact CD1-CZ3 3.39Å; F88-W295 HydrophobicContact CD1-CZ3 3.39Å; F88-W295 HydrophobicContact CE1-CE3 4.3Å; F88-W295 HydrophobicContact CE1-CH2 4.34Å; F88-W295 AromaticContact CE1-CZ3 3.61Å; F88-W295 HydrophobicContact CE1-CZ3 3.61Å; F88-W295 HydrophobicContact CG-CH2 4.4Å; F88-W295 HydrophobicContact CG-CZ3 4.45Å
89R92.7Very high91.3Very high21 Ų2163 Ų638%0.07935%0.346CS..Iπ-helixtrans-61.6-43.2178.7-73.7179.5-45.7126.5-14.1112.3G85 L86 I87 L93 F94 T293 W295G85-R89 WeakPolarHBondContact O-CB 3.48Å; G85-R89 WeakPolarHBondContact O-CG 3.29Å; G85-R89 PolarHBondContact O-N 3.17Å; L86-R89 VanDerWaalsContact CD1-NH2 3.29Å; L86-R89 PolarHBondContact O-N 3.19Å; I87-R89 PolarHBondContact O-N 3.16Å; R89-L93 HydrophobicContact CG-CD1 4.08Å; R89-L93 PolarHBondContact O-N 3.11Å; R89-F94 WeakPolarHBondContact O-CB 3.4Å; R89-F94 PolarHBondContact O-N 3.43Å; R89-T293 WeakPolarHBondContact CD-O 3.38Å; R89-T293 PolarHBondContact NH1-O 2.86Å; R89-W295 HydrophobicContact CG-CD2 4.29Å; R89-W295 HydrophobicContact CG-CZ2 4.33Å
90Y93Very high91.7Very high120 Ų12061.7 Ų61.747%0.47134%0.335SS..Iπ-helixtrans-86.4-31.4-175.2-80-94.3000113.8L86 I87 F88 P95 T293L86-Y90 HydrophobicContact CD1-CD2 3.72Å; L86-Y90 HydrophobicContact CD1-CE2 3.46Å; L86-Y90 VanDerWaalsContact CD1-CE2 3.46Å; L86-Y90 HydrophobicContact CG-CD2 4.22Å; L86-Y90 HydrophobicContact CG-CE2 4.42Å; L86-Y90 WeakPolarHBondContact O-CD2 3.41Å; L86-Y90 PolarHBondContact O-N 2.86Å; L86-Y90 VanDerWaalsContact O-N 3.08Å; I87-Y90 PolarHBondContact O-N 2.93Å; F88-Y90 PolarHBondContact O-N 2.87Å; Y90-P95 VanDerWaalsContact O-CD 3.25Å; Y90-P95 WeakPolarHBondContact O-CD 3.08Å; Y90-T293 HydrophobicContact CD1-CG2 4.28Å; Y90-T293 HydrophobicContact CE1-CG2 3.78Å; Y90-T293 HydrophobicContact CE2-CG2 4.3Å
91C95Very high91.8Very high86 Ų8659.8 Ų59.858%0.58133%0.325SS*.Iπ-helixtrans-92.7-21.7-178.3-61.40000113.4I87I87-C91 WeakPolarHBondContact O-CB 3.44Å; I87-C91 PolarHBondContact O-N 3.48Å; I87-C91 PolarHBondContact O-SG 3.18Å
92V93.7Very high92.1Very high64 Ų6460.2 Ų60.239%0.38833%0.328SS..Iπ-helixtrans-120.2-60.1-177-173.90000111.8F88 T96F88-V92 HydrophobicContact CD2-CB 4.01Å; F88-V92 HydrophobicContact CD2-CG1 4.49Å; F88-V92 HydrophobicContact CD2-CG2 3.84Å; F88-V92 HydrophobicContact CE2-CB 3.91Å; F88-V92 HydrophobicContact CE2-CG1 3.89Å; F88-V92 HydrophobicContact CE2-CG2 3.99Å; F88-V92 HydrophobicContact CZ-CB 4.33Å; F88-V92 HydrophobicContact CZ-CG1 4.11Å; F88-V92 WeakPolarHBondContact O-CA 3.35Å; F88-V92 VanDerWaalsContact O-CB 3.29Å; F88-V92 WeakPolarHBondContact O-CB 3.44Å; F88-V92 PolarHBondContact O-N 3.34Å; V92-T96 WeakPolarHBondContact O-CB 3.33Å; V92-T96 WeakPolarHBondContact O-CG2 3.3Å; V92-T96 PolarHBondContact O-N 3.32Å; V92-T96 VanDerWaalsContact O-N 3.11Å; V92-T96 PolarHBondContact O-OG1 3.44Å
93L92.7Very high92.2Very high23 Ų2361 Ų6112%0.1234%0.336CS..Iπ-helixtrans-66.4-45.4-174.9-61.3-174.3000112.6F88 R89 T96 K97 W295F88-L93 HydrophobicContact CD1-CD1 4.17Å; F88-L93 HydrophobicContact CD1-CD2 4.46Å; F88-L93 HydrophobicContact CD1-CG 3.96Å; F88-L93 HydrophobicContact CE1-CD1 3.99Å; F88-L93 HydrophobicContact CE1-CD2 3.66Å; F88-L93 HydrophobicContact CE1-CG 3.64Å; F88-L93 HydrophobicContact CZ-CD2 4.17Å; F88-L93 HydrophobicContact CZ-CG 4.49Å; F88-L93 PolarHBondContact O-N 3.15Å; F88-L93 VanDerWaalsContact O-N 3.15Å; R89-L93 HydrophobicContact CG-CD1 4.08Å; R89-L93 PolarHBondContact O-N 3.11Å; L93-T96 WeakPolarHBondContact CA-OG1 3.22Å; L93-T96 PolarHBondContact O-N 3.28Å; L93-T96 PolarHBondContact O-OG1 3.36Å; L93-K97 WeakPolarHBondContact O-CB 3.39Å; L93-K97 WeakPolarHBondContact O-CD 3.38Å; L93-K97 WeakPolarHBondContact O-CG 3.16Å; L93-K97 PolarHBondContact O-N 3.13Å; L93-W295 HydrophobicContact CD1-CD2 4.43Å; L93-W295 HydrophobicContact CD1-CE3 3.99Å
94F94.2Very high92.3Very high57 Ų5758.5 Ų58.525%0.2532%0.319CS..Hα-helixtrans-63.5-50.2-178.7178.7-95.8000112.3R89 T96 K97 C98 M289 M292 T293R89-F94 WeakPolarHBondContact O-CB 3.4Å; R89-F94 PolarHBondContact O-N 3.43Å; F94-T96 PolarHBondContact O-N 3.39Å; F94-K97 PolarHBondContact O-N 3Å; F94-C98 PolarHBondContact O-N 3.4Å; F94-C98 PolarHBondContact O-SG 2.91Å; F94-C98 VanDerWaalsContact O-SG 3.35Å; F94-M289 HydrophobicContact CE2-SD 3.86Å; F94-M289 HydrophobicContact CZ-SD 4.25Å; F94-M292 HydrophobicContact CD2-CB 3.83Å; F94-M292 HydrophobicContact CE2-CB 3.93Å; F94-T293 HydrophobicContact CB-CG2 4.36Å; F94-T293 HydrophobicContact CD2-CG2 3.74Å; F94-T293 HydrophobicContact CE2-CG2 4.45Å; F94-T293 HydrophobicContact CG-CG2 4.32Å
95P94.6Very high92Very high62 Ų6257.3 Ų57.340%0.40332%0.315SS..Hα-helixtrans-61.6-40.8176.2-27.137.3000113.7Y90 K97 C98 N99Y90-P95 VanDerWaalsContact O-CD 3.25Å; Y90-P95 WeakPolarHBondContact O-CD 3.08Å; P95-K97 VanDerWaalsContact C-N 3.34Å; P95-K97 PolarHBondContact O-N 3.33Å; P95-C98 PolarHBondContact O-N 3.36Å; P95-N99 PolarHBondContact O-N 2.85Å
96T93Very high91.9Very high73 Ų7361.6 Ų61.645%0.44834%0.335SS..Hα-helixtrans-62.5-42176.950.20000111.7V92 L93 F94 N99 T100V92-T96 WeakPolarHBondContact O-CB 3.33Å; V92-T96 WeakPolarHBondContact O-CG2 3.3Å; V92-T96 PolarHBondContact O-N 3.32Å; V92-T96 VanDerWaalsContact O-N 3.11Å; V92-T96 PolarHBondContact O-OG1 3.44Å; L93-T96 WeakPolarHBondContact CA-OG1 3.22Å; L93-T96 PolarHBondContact O-N 3.28Å; L93-T96 PolarHBondContact O-OG1 3.36Å; F94-T96 PolarHBondContact O-N 3.39Å; T96-N99 WeakPolarHBondContact O-CB 3.38Å; T96-N99 PolarHBondContact O-N 3.24Å; T96-T100 PolarHBondContact O-N 3.36Å
97K93.8Very high91.6Very high3 Ų362 Ų621%0.01334%0.337CS..Hα-helixtrans-66.4-41.2174.6-69.8169.3171.8-178.10112.4L93 F94 P95 N99 T100 L101 A140 S142 M291 M292 S294L93-K97 WeakPolarHBondContact O-CB 3.39Å; L93-K97 WeakPolarHBondContact O-CD 3.38Å; L93-K97 WeakPolarHBondContact O-CG 3.16Å; L93-K97 PolarHBondContact O-N 3.13Å; F94-K97 PolarHBondContact O-N 3Å; P95-K97 VanDerWaalsContact C-N 3.34Å; P95-K97 PolarHBondContact O-N 3.33Å; K97-N99 VanDerWaalsContact C-N 3.27Å; K97-N99 PolarHBondContact O-N 3.44Å; K97-T100 WeakPolarHBondContact CA-OG1 3.33Å; K97-T100 PolarHBondContact O-N 3.24Å; K97-T100 VanDerWaalsContact O-N 3.12Å; K97-T100 PolarHBondContact O-OG1 3.32Å; K97-L101 PolarHBondContact O-N 3.33Å; K97-L101 VanDerWaalsContact O-N 3.09Å; K97-A140 VanDerWaalsContact CB-O 3.29Å; K97-A140 WeakPolarHBondContact CB-O 3.4Å; K97-A140 WeakPolarHBondContact CD-O 3.43Å; K97-A140 WeakPolarHBondContact CG-O 3.39Å; K97-S142 WeakPolarHBondContact CE-OG 3.22Å; K97-M291 PolarHBondContact NZ-O 3.26Å; K97-M292 HydrophobicContact CB-CE 3.46Å; K97-M292 VanDerWaalsContact CB-CE 3.46Å; K97-M292 HydrophobicContact CB-SD 4.23Å; K97-M292 WeakPolarHBondContact CD-O 3.44Å; K97-M292 PolarHBondContact NZ-O 3.46Å; K97-S294 PolarHBondContact NZ-O 2.87Å
98C93.2Very high91.1Very high44 Ų4460.8 Ų60.830%0.29733%0.331SS..Hα-helixtrans-56.9-42.6171.8-72.70000111.5F94 P95 T100 L101 V102F94-C98 PolarHBondContact O-N 3.4Å; F94-C98 PolarHBondContact O-SG 2.91Å; F94-C98 VanDerWaalsContact O-SG 3.35Å; P95-C98 PolarHBondContact O-N 3.36Å; C98-T100 PolarHBondContact O-N 3.1Å; C98-L101 WeakPolarHBondContact O-CB 3.42Å; C98-L101 PolarHBondContact O-N 3.4Å; C98-L101 VanDerWaalsContact O-N 3.16Å; C98-V102 WeakPolarHBondContact O-CG2 3.43Å; C98-V102 PolarHBondContact O-N 2.9Å; C98-V102 VanDerWaalsContact O-N 3.09Å
99N91.9Very high90.6Very high94 Ų9461.5 Ų61.550%0.50334%0.338SS..Hα-helixtrans-62.4-40175.5-170.944.1000112.2P95 T96 K97 L101 V102 I103P95-N99 PolarHBondContact O-N 2.85Å; T96-N99 WeakPolarHBondContact O-CB 3.38Å; T96-N99 PolarHBondContact O-N 3.24Å; K97-N99 VanDerWaalsContact C-N 3.27Å; K97-N99 PolarHBondContact O-N 3.44Å; N99-L101 VanDerWaalsContact C-N 3.29Å; N99-L101 PolarHBondContact O-N 2.93Å; N99-V102 WeakPolarHBondContact O-CB 3.44Å; N99-V102 PolarHBondContact O-N 3.47Å; N99-V102 VanDerWaalsContact O-N 3.13Å; N99-I103 WeakPolarHBondContact O-CG1 3.3Å; N99-I103 PolarHBondContact O-N 3.46Å
100T91Very high90.2Very high32 Ų3264 Ų6420%0.19636%0.358CS..Hα-helixtrans-62.1-34.4174.361.40000113.1T96 K97 C98 I103 L104 A140T96-T100 PolarHBondContact O-N 3.36Å; K97-T100 WeakPolarHBondContact CA-OG1 3.33Å; K97-T100 PolarHBondContact O-N 3.24Å; K97-T100 VanDerWaalsContact O-N 3.12Å; K97-T100 PolarHBondContact O-OG1 3.32Å; C98-T100 PolarHBondContact O-N 3.1Å; T100-I103 PolarHBondContact O-N 3.12Å; T100-L104 WeakPolarHBondContact O-CB 3.5Å; T100-L104 PolarHBondContact O-N 3.24Å; T100-A140 VanDerWaalsContact OG1-CA 3.31Å; T100-A140 WeakPolarHBondContact OG1-CA 3.35Å; T100-A140 VanDerWaalsContact OG1-CB 3.32Å; T100-A140 WeakPolarHBondContact OG1-CB 3.46Å
101L90.4Very high89.6Confident59 Ų5959.2 Ų59.231%0.30934%0.342SS..Hα-helixtrans-69.1-33.8174.2-67.7177.3000112.4K97 C98 N99 L104 S105 L137 A140 M292K97-L101 PolarHBondContact O-N 3.33Å; K97-L101 VanDerWaalsContact O-N 3.09Å; C98-L101 WeakPolarHBondContact O-CB 3.42Å; C98-L101 PolarHBondContact O-N 3.4Å; C98-L101 VanDerWaalsContact O-N 3.16Å; N99-L101 VanDerWaalsContact C-N 3.29Å; N99-L101 PolarHBondContact O-N 2.93Å; L101-L104 HydrophobicContact CD2-CD2 4.31Å; L101-L104 PolarHBondContact O-N 2.9Å; L101-S105 PolarHBondContact O-N 2.95Å; L101-S105 PolarHBondContact O-OG 3.38Å; L101-L137 HydrophobicContact CD2-CD2 4.11Å; L101-A140 HydrophobicContact CD2-CB 3.5Å; L101-A140 HydrophobicContact CG-CB 3.83Å; L101-M292 HydrophobicContact CD1-CE 3.52Å; L101-M292 HydrophobicContact CD1-SD 4.1Å; L101-M292 HydrophobicContact CG-CE 4.28Å
102V91Very high88.7Confident83 Ų8359.1 Ų59.150%0.50334%0.339SS..Hα-helixtrans-65.2-46.6173.2174.70000110.3C98 N99 L104 S105 I106C98-V102 WeakPolarHBondContact O-CG2 3.43Å; C98-V102 PolarHBondContact O-N 2.9Å; C98-V102 VanDerWaalsContact O-N 3.09Å; N99-V102 WeakPolarHBondContact O-CB 3.44Å; N99-V102 PolarHBondContact O-N 3.47Å; N99-V102 VanDerWaalsContact O-N 3.13Å; V102-L104 VanDerWaalsContact C-N 3.33Å; V102-L104 PolarHBondContact O-N 2.93Å; V102-S105 WeakPolarHBondContact O-CB 3.29Å; V102-S105 PolarHBondContact O-N 2.9Å; V102-S105 VanDerWaalsContact O-N 3.09Å; V102-I106 HydrophobicContact CG1-CD1 4.22Å; V102-I106 WeakPolarHBondContact O-CG1 3.05Å; V102-I106 PolarHBondContact O-N 3.32Å
103I89.5Confident88Confident73 Ų7360.7 Ų60.737%0.37434%0.344SS..Hα-helixtrans-58.7-45.4176-65.6167000110.9N99 T100 S105 I106 I107N99-I103 WeakPolarHBondContact O-CG1 3.3Å; N99-I103 PolarHBondContact O-N 3.46Å; T100-I103 PolarHBondContact O-N 3.12Å; I103-S105 VanDerWaalsContact C-N 3.3Å; I103-S105 PolarHBondContact O-N 3.09Å; I103-I106 PolarHBondContact O-N 3.23Å; I103-I107 HydrophobicContact CG2-CD1 3.89Å; I103-I107 WeakPolarHBondContact O-CG1 3.22Å; I103-I107 PolarHBondContact O-N 2.97Å
104L88.9Confident87.3Confident8 Ų862.6 Ų62.64%0.04236%0.359CS..Hα-helixtrans-57-44.2174.3170.964.8000111.9T100 L101 V102 I106 I107 L108 C133 L136 L137T100-L104 WeakPolarHBondContact O-CB 3.5Å; T100-L104 PolarHBondContact O-N 3.24Å; L101-L104 HydrophobicContact CD2-CD2 4.31Å; L101-L104 PolarHBondContact O-N 2.9Å; V102-L104 VanDerWaalsContact C-N 3.33Å; V102-L104 PolarHBondContact O-N 2.93Å; L104-I106 VanDerWaalsContact C-N 3.32Å; L104-I106 PolarHBondContact O-N 2.89Å; L104-I107 PolarHBondContact O-N 3Å; L104-L108 HydrophobicContact CD1-CD1 4.07Å; L104-L108 HydrophobicContact CD1-CG 4.14Å; L104-L108 HydrophobicContact CG-CD1 4.02Å; L104-L108 WeakPolarHBondContact O-CB 3.45Å; L104-L108 WeakPolarHBondContact O-CG 3.49Å; L104-L108 PolarHBondContact O-N 3.33Å; L104-C133 HydrophobicContact CD1-CB 3.86Å; L104-L136 HydrophobicContact CB-CB 4.34Å; L104-L136 HydrophobicContact CB-CD1 4.47Å; L104-L136 HydrophobicContact CD1-CB 4.03Å; L104-L136 HydrophobicContact CD1-CD1 4.11Å; L104-L137 HydrophobicContact CD2-CD1 4.45Å; L104-L137 HydrophobicContact CD2-CD2 3.31Å; L104-L137 HydrophobicContact CD2-CG 3.47Å; L104-L137 VanDerWaalsContact CD2-CG 3.47Å
105S85.4Confident86.3Confident62 Ų6261.3 Ų61.343%0.43436%0.357SS..Hα-helixtrans-61.9-40.8179.3-58.10000111.5L101 V102 I103 L108 I109L101-S105 PolarHBondContact O-N 2.95Å; L101-S105 PolarHBondContact O-OG 3.38Å; V102-S105 WeakPolarHBondContact O-CB 3.29Å; V102-S105 PolarHBondContact O-N 2.9Å; V102-S105 VanDerWaalsContact O-N 3.09Å; I103-S105 VanDerWaalsContact C-N 3.3Å; I103-S105 PolarHBondContact O-N 3.09Å; S105-L108 PolarHBondContact O-N 3.45Å; S105-I109 WeakPolarHBondContact O-CD1 3.37Å; S105-I109 VanDerWaalsContact O-CG1 3.28Å; S105-I109 WeakPolarHBondContact O-CG1 3.11Å; S105-I109 PolarHBondContact O-N 2.74Å
106I88Confident85.2Confident97 Ų9765.2 Ų65.250%0.49737%0.37SS..Hα-helixtrans-62.6-47.8174.5-64.4165.8000110.6V102 I103 L104 L108 I109 C110V102-I106 HydrophobicContact CG1-CD1 4.22Å; V102-I106 WeakPolarHBondContact O-CG1 3.05Å; V102-I106 PolarHBondContact O-N 3.32Å; I103-I106 PolarHBondContact O-N 3.23Å; L104-I106 VanDerWaalsContact C-N 3.32Å; L104-I106 PolarHBondContact O-N 2.89Å; I106-L108 VanDerWaalsContact C-N 3.32Å; I106-L108 PolarHBondContact O-N 3.31Å; I106-I109 PolarHBondContact O-N 3.36Å; I106-C110 PolarHBondContact O-N 3.22Å; I106-C110 PolarHBondContact O-SG 2.89Å
107I84.5Confident84.2Confident60 Ų6068.5 Ų68.531%0.30838%0.383SS..Hα-helixtrans-60.6-42178.9-70.5167.3000111.3I103 L104 C110 S111 L136I103-I107 HydrophobicContact CG2-CD1 3.89Å; I103-I107 WeakPolarHBondContact O-CG1 3.22Å; I103-I107 PolarHBondContact O-N 2.97Å; L104-I107 PolarHBondContact O-N 3Å; I107-C110 PolarHBondContact O-N 2.87Å; I107-S111 VanDerWaalsContact O-CB 3.28Å; I107-S111 WeakPolarHBondContact O-CB 3Å; I107-S111 PolarHBondContact O-N 3.42Å; I107-S111 PolarHBondContact O-OG 2.85Å; I107-L136 HydrophobicContact CD1-CD1 3.44Å; I107-L136 VanDerWaalsContact CD1-CD1 3.44Å
108L83Confident83Confident70 Ų7072 Ų7237%0.36640%0.402SS..Hα-helixtrans-60.5-49.3176.1-77.9169.2000111L104 S105 I106 C110 S111 T112 C133L104-L108 HydrophobicContact CD1-CD1 4.07Å; L104-L108 HydrophobicContact CD1-CG 4.14Å; L104-L108 HydrophobicContact CG-CD1 4.02Å; L104-L108 WeakPolarHBondContact O-CB 3.45Å; L104-L108 WeakPolarHBondContact O-CG 3.49Å; L104-L108 PolarHBondContact O-N 3.33Å; S105-L108 PolarHBondContact O-N 3.45Å; I106-L108 VanDerWaalsContact C-N 3.32Å; I106-L108 PolarHBondContact O-N 3.31Å; L108-C110 PolarHBondContact O-N 3.34Å; L108-S111 PolarHBondContact O-N 3.46Å; L108-S111 PolarHBondContact O-OG 3.45Å; L108-T112 WeakPolarHBondContact O-CG2 3.39Å; L108-T112 PolarHBondContact O-N 2.86Å; L108-T112 PolarHBondContact O-OG1 3.41Å; L108-C133 HydrophobicContact CD2-CB 4.43Å; L108-C133 WeakPolarHBondContact CD2-SG 3.28Å
109I83.7Confident81.7Confident101 Ų10175.9 Ų75.952%0.51842%0.419SS..Hα-helixtrans-57.9-51.1177.1-66.7163.7000110.5S105 I106 S111 T112 L113S105-I109 WeakPolarHBondContact O-CD1 3.37Å; S105-I109 VanDerWaalsContact O-CG1 3.28Å; S105-I109 WeakPolarHBondContact O-CG1 3.11Å; S105-I109 PolarHBondContact O-N 2.74Å; I106-I109 PolarHBondContact O-N 3.36Å; I109-S111 VanDerWaalsContact C-N 3.3Å; I109-S111 PolarHBondContact O-N 3.5Å; I109-T112 PolarHBondContact O-N 3Å; I109-T112 PolarHBondContact O-OG1 3.41Å; I109-L113 HydrophobicContact CG2-CD1 4.13Å; I109-L113 WeakPolarHBondContact O-CG 3.22Å; I109-L113 PolarHBondContact O-N 3.42Å; I109-L113 VanDerWaalsContact O-N 3.12Å
110C84.7Confident80.3Confident73 Ų7382.5 Ų82.549%0.49344%0.437SS..Hα-helixtrans-58.7-40.4177.8-67.30000112.6I106 I107 L108 L113 C114I106-C110 PolarHBondContact O-N 3.22Å; I106-C110 PolarHBondContact O-SG 2.89Å; I107-C110 PolarHBondContact O-N 2.87Å; L108-C110 PolarHBondContact O-N 3.34Å; C110-L113 PolarHBondContact O-N 3.45Å; C110-C114 WeakPolarHBondContact O-CB 3.42Å; C110-C114 PolarHBondContact O-N 2.86Å
111S79.8Confident79.1Confident20 Ų2086.9 Ų86.914%0.1445%0.453CS..Hα-helixtrans-67.7-36.5179.675.70000112.7I107 L108 I109 C114 S115I107-S111 VanDerWaalsContact O-CB 3.28Å; I107-S111 WeakPolarHBondContact O-CB 3Å; I107-S111 PolarHBondContact O-N 3.42Å; I107-S111 PolarHBondContact O-OG 2.85Å; L108-S111 PolarHBondContact O-N 3.46Å; L108-S111 PolarHBondContact O-OG 3.45Å; I109-S111 VanDerWaalsContact C-N 3.3Å; I109-S111 PolarHBondContact O-N 3.5Å; S111-C114 PolarHBondContact O-N 3Å; S111-S115 VanDerWaalsContact O-CB 3.3Å; S111-S115 WeakPolarHBondContact O-CB 3.28Å; S111-S115 PolarHBondContact O-N 2.96Å; S111-S115 PolarHBondContact O-OG 2.93Å
112T76.4Confident78.4Confident83 Ų8389.7 Ų89.751%0.50946%0.463SS..Hα-helixtrans-67.6-41.7176.258.70000111.8L108 I109 S115 Q116L108-T112 WeakPolarHBondContact O-CG2 3.39Å; L108-T112 PolarHBondContact O-N 2.86Å; L108-T112 PolarHBondContact O-OG1 3.41Å; I109-T112 PolarHBondContact O-N 3Å; I109-T112 PolarHBondContact O-OG1 3.41Å; T112-S115 PolarHBondContact O-N 3.44Å; T112-Q116 PolarHBondContact O-N 3.46Å
113L78.7Confident77.7Confident97 Ų9794.4 Ų94.451%0.50847%0.472SS..Hα-helixtrans-63.6-45.6174.5-67.6170.2000111.5I109 C110 S115 Q116I109-L113 HydrophobicContact CG2-CD1 4.13Å; I109-L113 WeakPolarHBondContact O-CG 3.22Å; I109-L113 PolarHBondContact O-N 3.42Å; I109-L113 VanDerWaalsContact O-N 3.12Å; C110-L113 PolarHBondContact O-N 3.45Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 3.1Å; L113-Q116 PolarHBondContact O-N 3.39Å
114C78.3Confident77.2Confident63 Ų6397.2 Ų97.243%0.42648%0.484SS..Hα-helixtrans-64.4-37.5177.8-172.30000112.4C110 S111 Q116 I117 L118C110-C114 WeakPolarHBondContact O-CB 3.42Å; C110-C114 PolarHBondContact O-N 2.86Å; S111-C114 PolarHBondContact O-N 3Å; C114-Q116 VanDerWaalsContact C-N 3.29Å; C114-Q116 PolarHBondContact O-N 2.98Å; C114-I117 WeakPolarHBondContact O-CB 3.47Å; C114-I117 PolarHBondContact O-N 3.35Å; C114-L118 PolarHBondContact O-N 2.8Å
115S72.9Confident76.8Confident30 Ų3099.1 Ų99.121%0.2149%0.493CS..Hα-helixtrans-67.4-26.4179.5-61.80000113.7S111 T112 L113 I117S111-S115 VanDerWaalsContact O-CB 3.3Å; S111-S115 WeakPolarHBondContact O-CB 3.28Å; S111-S115 PolarHBondContact O-N 2.96Å; S111-S115 PolarHBondContact O-OG 2.93Å; T112-S115 PolarHBondContact O-N 3.44Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 3.1Å; S115-I117 PolarHBondContact O-N 3.08Å
116Q71.7Confident76.6Confident144 Ų14496.9 Ų96.967%0.67348%0.478SS*.Hα-helixtrans-66.4-28.5172.4-71.9178-27.500111.9T112 L113 C114T112-Q116 PolarHBondContact O-N 3.46Å; L113-Q116 PolarHBondContact O-N 3.39Å; C114-Q116 VanDerWaalsContact C-N 3.29Å; C114-Q116 PolarHBondContact O-N 2.98Å
117I72.3Confident76.5Confident142 Ų14296.4 Ų96.473%0.72847%0.47SS*.Hα-helixtrans-86.9-38179.8-57.6169.3000110.6C114 S115 L119C114-I117 WeakPolarHBondContact O-CB 3.47Å; C114-I117 PolarHBondContact O-N 3.35Å; S115-I117 PolarHBondContact O-N 3.08Å; I117-L119 PolarHBondContact O-N 3.04Å
118L68.5Low76.5Confident76 Ų76100.1 Ų100.140%0.39848%0.484SS..  trans-102.752.3-169.2-139.679.6000114.3C114 R120 F121 L125C114-L118 PolarHBondContact O-N 2.8Å; L118-R120 PolarHBondContact O-N 2.9Å; L118-R120 VanDerWaalsContact O-N 3.13Å; L118-F121 PolarHBondContact O-N 2.98Å; L118-L125 HydrophobicContact CB-CD2 4.44Å; L118-L125 HydrophobicContact CD2-CD2 4.08Å
119L64.9Low76.6Confident127 Ų12798.2 Ų98.267%0.66548%0.475SS*.G310 helixtrans-53.2-34.8-178.3-79.8148.3000114I117 F121 K122I117-L119 PolarHBondContact O-N 3.04Å; L119-F121 PolarHBondContact O-N 2.74Å; L119-K122 WeakPolarHBondContact O-CB 3.26Å; L119-K122 PolarHBondContact O-N 2.97Å
120R62.3Low76.8Confident233 Ų23393.8 Ų93.888%0.87945%0.453SS*.G310 helixtrans-68.7-28.3-170.3-157.8174.1-176169.70.7114.2L118L118-R120 PolarHBondContact O-N 2.9Å; L118-R120 VanDerWaalsContact O-N 3.13Å
121F66.5Low77Confident123 Ų12392 Ų9254%0.53944%0.438SS..G310 helixtrans-113.917.6-179.7-64.8-74.9000113.1L118 L119 R123 Q124 L125L118-F121 PolarHBondContact O-N 2.98Å; L119-F121 PolarHBondContact O-N 2.74Å; F121-R123 VanDerWaalsContact C-N 3.3Å; F121-R123 PolarHBondContact O-N 3.45Å; F121-R123 VanDerWaalsContact O-N 3.11Å; F121-Q124 PolarHBondContact O-N 3.01Å; F121-L125 WeakPolarHBondContact O-CB 3.43Å; F121-L125 PolarHBondContact O-N 3.11Å
122K75.6Confident77.5Confident119 Ų11994.8 Ų94.852%0.51745%0.451SS..Hα-helixtrans-50.8-42.8-167.7-172.1177.7179-1780113.8L119 S126L119-K122 WeakPolarHBondContact O-CB 3.26Å; L119-K122 PolarHBondContact O-N 2.97Å; K122-S126 WeakPolarHBondContact O-CB 3.4Å; K122-S126 PolarHBondContact O-N 3.37Å
123R76.5Confident78.1Confident182 Ų18291.4 Ų91.469%0.68743%0.43SS*.Hα-helixtrans-68.7-52.2-178.7-73.7-173.5175.4-179.5-0.6113.4F121 L125 S126 R127F121-R123 VanDerWaalsContact C-N 3.3Å; F121-R123 PolarHBondContact O-N 3.45Å; F121-R123 VanDerWaalsContact O-N 3.11Å; R123-L125 VanDerWaalsContact C-N 3.32Å; R123-L125 PolarHBondContact O-N 3.03Å; R123-S126 WeakPolarHBondContact O-CB 3.43Å; R123-S126 PolarHBondContact O-N 3.09Å; R123-R127 WeakPolarHBondContact O-CG 3.47Å; R123-R127 PolarHBondContact O-N 2.81Å
124Q78.3Confident78.8Confident132 Ų13288.2 Ų88.262%0.61741%0.412SS*.Hα-helixtrans-64.9-39.4-179.6-69.4-172.8-2.600111.5F121 R127 K128F121-Q124 PolarHBondContact O-N 3.01Å; Q124-R127 PolarHBondContact O-N 3.26Å; Q124-K128 WeakPolarHBondContact O-CG 3.33Å; Q124-K128 PolarHBondContact O-N 2.81Å; Q124-K128 VanDerWaalsContact O-N 3.08Å
125L80.5Confident79.5Confident47 Ų4791.4 Ų91.425%0.24642%0.415CS..Hα-helixtrans-63.3-47.3174.1-176.861.1000110.9L118 F121 R123 R127 K128 V129L118-L125 HydrophobicContact CB-CD2 4.44Å; L118-L125 HydrophobicContact CD2-CD2 4.08Å; F121-L125 WeakPolarHBondContact O-CB 3.43Å; F121-L125 PolarHBondContact O-N 3.11Å; R123-L125 VanDerWaalsContact C-N 3.32Å; R123-L125 PolarHBondContact O-N 3.03Å; L125-R127 VanDerWaalsContact C-N 3.3Å; L125-R127 PolarHBondContact O-N 3.21Å; L125-K128 PolarHBondContact O-N 3.05Å; L125-V129 HydrophobicContact CD1-CG2 4.1Å; L125-V129 HydrophobicContact CG-CG2 4.26Å; L125-V129 WeakPolarHBondContact O-CB 3.34Å; L125-V129 VanDerWaalsContact O-CG2 3.29Å; L125-V129 WeakPolarHBondContact O-CG2 3.44Å; L125-V129 PolarHBondContact O-N 3.37Å
126S81.3Confident80.4Confident16 Ų1691.9 Ų91.911%0.11242%0.415CS..Hα-helixtrans-54.4-45.4176.1-178.20000111.9K122 R123 V129 S130K122-S126 WeakPolarHBondContact O-CB 3.4Å; K122-S126 PolarHBondContact O-N 3.37Å; R123-S126 WeakPolarHBondContact O-CB 3.43Å; R123-S126 PolarHBondContact O-N 3.09Å; S126-V129 PolarHBondContact O-N 2.83Å; S126-S130 VanDerWaalsContact O-CB 3.26Å; S126-S130 WeakPolarHBondContact O-CB 3.34Å; S126-S130 PolarHBondContact O-N 2.85Å; S126-S130 PolarHBondContact O-OG 3.41Å
127R85.4Confident81.4Confident87 Ų8788 Ų8833%0.32840%0.398SS..Hα-helixtrans-63.4-45.8177.6-71.4178.368.5150.13112.3R123 Q124 L125 S130 L131 E201 L231R123-R127 WeakPolarHBondContact O-CG 3.47Å; R123-R127 PolarHBondContact O-N 2.81Å; Q124-R127 PolarHBondContact O-N 3.26Å; L125-R127 VanDerWaalsContact C-N 3.3Å; L125-R127 PolarHBondContact O-N 3.21Å; R127-S130 PolarHBondContact O-N 3.06Å; R127-L131 WeakPolarHBondContact O-CG 3.49Å; R127-L131 PolarHBondContact O-N 2.55Å; R127-E201 WeakPolarHBondContact CG-OE1 3.46Å; R127-L231 VanDerWaalsContact CZ-CD2 3.41Å
128K85.8Confident82.4Confident138 Ų13881.8 Ų81.860%0.637%0.367SS*.Hα-helixtrans-62.8-45.1177.5-73.5-178.5179.9-179.90111.7Q124 L125 L131 I132Q124-K128 WeakPolarHBondContact O-CG 3.33Å; Q124-K128 PolarHBondContact O-N 2.81Å; Q124-K128 VanDerWaalsContact O-N 3.08Å; L125-K128 PolarHBondContact O-N 3.05Å; K128-L131 PolarHBondContact O-N 3.28Å; K128-I132 WeakPolarHBondContact O-CG1 3.07Å; K128-I132 PolarHBondContact O-N 3.49Å; K128-I132 VanDerWaalsContact O-N 3.1Å
129V85Confident83.5Confident29 Ų2983.3 Ų83.318%0.17637%0.371CS..Hα-helixtrans-62-44.7176.3170.80000110.4L125 S126 L131 I132 C133L125-V129 HydrophobicContact CD1-CG2 4.1Å; L125-V129 HydrophobicContact CG-CG2 4.26Å; L125-V129 WeakPolarHBondContact O-CB 3.34Å; L125-V129 VanDerWaalsContact O-CG2 3.29Å; L125-V129 WeakPolarHBondContact O-CG2 3.44Å; L125-V129 PolarHBondContact O-N 3.37Å; S126-V129 PolarHBondContact O-N 2.83Å; V129-L131 PolarHBondContact O-N 2.76Å; V129-I132 PolarHBondContact O-N 3.2Å; V129-C133 PolarHBondContact O-N 3.04Å; V129-C133 PolarHBondContact O-SG 3.09Å
130S87.2Confident84.7Confident8 Ų877.3 Ų77.36%0.05634%0.34CS..Hα-helixtrans-58.5-46.4177.8-62.30000111.4S126 R127 I132 C133 Y134S126-S130 VanDerWaalsContact O-CB 3.26Å; S126-S130 WeakPolarHBondContact O-CB 3.34Å; S126-S130 PolarHBondContact O-N 2.85Å; S126-S130 PolarHBondContact O-OG 3.41Å; R127-S130 PolarHBondContact O-N 3.06Å; S130-I132 VanDerWaalsContact C-N 3.35Å; S130-I132 PolarHBondContact O-N 3.37Å; S130-C133 WeakPolarHBondContact O-CB 3.29Å; S130-C133 PolarHBondContact O-N 2.88Å; S130-C133 VanDerWaalsContact O-N 3.15Å; S130-Y134 WeakPolarHBondContact O-CD2 3.35Å; S130-Y134 PolarHBondContact O-N 2.65Å
131L90.3Very high86Confident35 Ų3567 Ų6718%0.18330%0.304CS..Hα-helixtrans-59.1-43.4175.7-71.2172.1000112.4R127 K128 V129 C133 Y134 R135 A174R127-L131 WeakPolarHBondContact O-CG 3.49Å; R127-L131 PolarHBondContact O-N 2.55Å; K128-L131 PolarHBondContact O-N 3.28Å; V129-L131 PolarHBondContact O-N 2.76Å; L131-C133 VanDerWaalsContact C-N 3.33Å; L131-Y134 PolarHBondContact O-N 2.99Å; L131-R135 WeakPolarHBondContact O-CB 3.42Å; L131-R135 WeakPolarHBondContact O-CD 3.06Å; L131-R135 WeakPolarHBondContact O-CG 3.48Å; L131-R135 PolarHBondContact O-N 2.58Å; L131-A174 WeakPolarHBondContact CD2-O 3.1Å
132I89.5Confident87.3Confident80 Ų8062.5 Ų62.541%0.4129%0.288SS..Hα-helixtrans-61.8-44.4176-67165.4000110.1K128 V129 S130 R135 L136K128-I132 WeakPolarHBondContact O-CG1 3.07Å; K128-I132 PolarHBondContact O-N 3.49Å; K128-I132 VanDerWaalsContact O-N 3.1Å; V129-I132 PolarHBondContact O-N 3.2Å; S130-I132 VanDerWaalsContact C-N 3.35Å; S130-I132 PolarHBondContact O-N 3.37Å; I132-R135 PolarHBondContact O-N 3.36Å; I132-L136 HydrophobicContact CG2-CD1 3.97Å; I132-L136 HydrophobicContact CG2-CG 4.45Å; I132-L136 WeakPolarHBondContact O-CG 3.2Å; I132-L136 PolarHBondContact O-N 2.94Å
133C89.5Confident88.1Confident11 Ų1157.4 Ų57.47%0.07427%0.269CS..Hα-helixtrans-62.8-45.3179-65.30000112L104 L108 V129 S130 L131 R135 L136 L137L104-C133 HydrophobicContact CD1-CB 3.86Å; L108-C133 HydrophobicContact CD2-CB 4.43Å; L108-C133 WeakPolarHBondContact CD2-SG 3.28Å; V129-C133 PolarHBondContact O-N 3.04Å; V129-C133 PolarHBondContact O-SG 3.09Å; S130-C133 WeakPolarHBondContact O-CB 3.29Å; S130-C133 PolarHBondContact O-N 2.88Å; S130-C133 VanDerWaalsContact O-N 3.15Å; L131-C133 VanDerWaalsContact C-N 3.33Å; C133-R135 VanDerWaalsContact C-N 3.34Å; C133-R135 PolarHBondContact O-N 2.96Å; C133-L136 PolarHBondContact O-N 2.55Å; C133-L137 WeakPolarHBondContact O-CB 3.03Å; C133-L137 WeakPolarHBondContact O-CG 3Å; C133-L137 PolarHBondContact O-N 3.45Å
134Y91.9Very high89Confident31 Ų3151.1 Ų51.112%0.12226%0.256CS..Hα-helixtrans-63.6-38.3176.2-66.7-52.1000112.2S130 L131 L137 L138 L171 A174S130-Y134 WeakPolarHBondContact O-CD2 3.35Å; S130-Y134 PolarHBondContact O-N 2.65Å; L131-Y134 PolarHBondContact O-N 2.99Å; Y134-L137 HydrophobicContact CD1-CD1 4.35Å; Y134-L137 PolarHBondContact O-N 3.41Å; Y134-L138 VanDerWaalsContact O-CB 3.3Å; Y134-L138 WeakPolarHBondContact O-CB 3.44Å; Y134-L138 PolarHBondContact O-N 3.42Å; Y134-L171 HydrophobicContact CD1-CD1 3.79Å; Y134-L171 HydrophobicContact CG-CD1 4.38Å; Y134-L171 WeakPolarHBondContact O-CD1 3.45Å; Y134-A174 HydrophobicContact CD1-CB 3.88Å; Y134-A174 HydrophobicContact CD2-CB 3.63Å; Y134-A174 VanDerWaalsContact CD2-O 3.28Å; Y134-A174 WeakPolarHBondContact CD2-O 3.36Å; Y134-A174 HydrophobicContact CE1-CB 4.09Å; Y134-A174 HydrophobicContact CE2-CB 3.86Å; Y134-A174 HydrophobicContact CG-CB 3.66Å
135R93.6Very high89.9Confident129 Ų12946.1 Ų46.149%0.48723%0.234SC..Hα-helixtrans-65.3-40.3174.8-72.1168.5-174.9179.5-0.2112.4L131 I132 C133 L138 Q139 S175L131-R135 WeakPolarHBondContact O-CB 3.42Å; L131-R135 WeakPolarHBondContact O-CD 3.06Å; L131-R135 WeakPolarHBondContact O-CG 3.48Å; L131-R135 PolarHBondContact O-N 2.58Å; I132-R135 PolarHBondContact O-N 3.36Å; C133-R135 VanDerWaalsContact C-N 3.34Å; C133-R135 PolarHBondContact O-N 2.96Å; R135-L138 PolarHBondContact O-N 2.85Å; R135-Q139 WeakPolarHBondContact O-CB 3.38Å; R135-Q139 PolarHBondContact O-N 3.07Å; R135-S175 PolarHBondContact NE-O 2.9Å
136L91.7Very high90.7Very high41 Ų4147.3 Ų47.322%0.21524%0.243CC..Hα-helixtrans-69.8-38.4176.3-70.7173.3000112.3L104 I107 I132 C133 L138 Q139 A140L104-L136 HydrophobicContact CB-CB 4.34Å; L104-L136 HydrophobicContact CB-CD1 4.47Å; L104-L136 HydrophobicContact CD1-CB 4.03Å; L104-L136 HydrophobicContact CD1-CD1 4.11Å; I107-L136 HydrophobicContact CD1-CD1 3.44Å; I107-L136 VanDerWaalsContact CD1-CD1 3.44Å; I132-L136 HydrophobicContact CG2-CD1 3.97Å; I132-L136 HydrophobicContact CG2-CG 4.45Å; I132-L136 WeakPolarHBondContact O-CG 3.2Å; I132-L136 PolarHBondContact O-N 2.94Å; C133-L136 PolarHBondContact O-N 2.55Å; L136-L138 VanDerWaalsContact C-N 3.34Å; L136-Q139 PolarHBondContact O-N 3.03Å; L136-A140 WeakPolarHBondContact O-CB 3.44Å; L136-A140 PolarHBondContact O-N 3.17Å
137L92.2Very high91.5Very high61 Ų6147.9 Ų47.932%0.31924%0.244SC..Hα-helixtrans-62-42.3171.9-79.5172.4000111.7L101 L104 C133 Y134 A140 C141 L171L101-L137 HydrophobicContact CD2-CD2 4.11Å; L104-L137 HydrophobicContact CD2-CD1 4.45Å; L104-L137 HydrophobicContact CD2-CD2 3.31Å; L104-L137 HydrophobicContact CD2-CG 3.47Å; L104-L137 VanDerWaalsContact CD2-CG 3.47Å; C133-L137 WeakPolarHBondContact O-CB 3.03Å; C133-L137 WeakPolarHBondContact O-CG 3Å; C133-L137 PolarHBondContact O-N 3.45Å; Y134-L137 HydrophobicContact CD1-CD1 4.35Å; Y134-L137 PolarHBondContact O-N 3.41Å; L137-A140 WeakPolarHBondContact O-CB 3.24Å; L137-A140 PolarHBondContact O-N 3.28Å; L137-C141 PolarHBondContact O-N 3.48Å; L137-C141 PolarHBondContact O-SG 2.86Å; L137-L171 HydrophobicContact CB-CD1 3.65Å; L137-L171 HydrophobicContact CB-CD2 4.02Å; L137-L171 HydrophobicContact CB-CG 4.48Å; L137-L171 HydrophobicContact CD1-CD1 4.2Å
138L93.5Very high92.1Very high13 Ų1346.4 Ų46.47%0.06824%0.241CC..Hα-helixtrans-64.1-43.1174.9-179.464.2000110.8Y134 R135 L136 A140 C141 S142 G143 V145 L171 I172 L297Y134-L138 VanDerWaalsContact O-CB 3.3Å; Y134-L138 WeakPolarHBondContact O-CB 3.44Å; Y134-L138 PolarHBondContact O-N 3.42Å; R135-L138 PolarHBondContact O-N 2.85Å; L136-L138 VanDerWaalsContact C-N 3.34Å; L138-A140 VanDerWaalsContact C-N 3.3Å; L138-A140 PolarHBondContact O-N 2.98Å; L138-C141 CarbonylContact O-C 3.47Å; L138-C141 WeakPolarHBondContact O-CA 3.18Å; L138-C141 WeakPolarHBondContact O-CB 3.43Å; L138-C141 PolarHBondContact O-N 3.29Å; L138-S142 PolarHBondContact O-N 3.12Å; L138-G143 WeakPolarHBondContact O-CA 3.28Å; L138-G143 PolarHBondContact O-N 3.12Å; L138-V145 HydrophobicContact CD1-CG2 4.12Å; L138-V145 HydrophobicContact CD2-CB 4.49Å; L138-V145 HydrophobicContact CD2-CG2 3.68Å; L138-V145 HydrophobicContact CG-CG2 4.4Å; L138-L171 HydrophobicContact CB-CG 4.43Å; L138-I172 HydrophobicContact CD1-CG1 3.85Å; L138-L297 HydrophobicContact CD1-CD2 4.47Å
139Q92Very high92.7Very high107 Ų10743.7 Ų43.750%0.523%0.233SC..Hα-helixtrans-62.2-36.2175.1-173.36421.600112.3R135 L136 C141 S142R135-Q139 WeakPolarHBondContact O-CB 3.38Å; R135-Q139 PolarHBondContact O-N 3.07Å; L136-Q139 PolarHBondContact O-N 3.03Å; Q139-C141 PolarHBondContact O-N 2.94Å; Q139-S142 WeakPolarHBondContact O-CA 3.18Å; Q139-S142 PolarHBondContact O-N 3.19Å
140A90.9Very high93.2Very high1 Ų148.7 Ų48.71%0.00825%0.249CC..Hα-helixtrans-63.9-20.8173.500000112.6K97 T100 L101 L136 L137 L138 S142 M292K97-A140 VanDerWaalsContact CB-O 3.29Å; K97-A140 WeakPolarHBondContact CB-O 3.4Å; K97-A140 WeakPolarHBondContact CD-O 3.43Å; K97-A140 WeakPolarHBondContact CG-O 3.39Å; T100-A140 VanDerWaalsContact OG1-CA 3.31Å; T100-A140 WeakPolarHBondContact OG1-CA 3.35Å; T100-A140 VanDerWaalsContact OG1-CB 3.32Å; T100-A140 WeakPolarHBondContact OG1-CB 3.46Å; L101-A140 HydrophobicContact CD2-CB 3.5Å; L101-A140 HydrophobicContact CG-CB 3.83Å; L136-A140 WeakPolarHBondContact O-CB 3.44Å; L136-A140 PolarHBondContact O-N 3.17Å; L137-A140 WeakPolarHBondContact O-CB 3.24Å; L137-A140 PolarHBondContact O-N 3.28Å; L138-A140 VanDerWaalsContact C-N 3.3Å; L138-A140 PolarHBondContact O-N 2.98Å; A140-S142 VanDerWaalsContact C-N 3.34Å; A140-M292 VanDerWaalsContact O-SD 3.35Å
141C89.4Confident93.7Very high17 Ų1754.3 Ų54.312%0.11527%0.274CS..THydrogen-bonded Turntrans-92.17.4170.5-58.10000112.8L137 L138 Q139 G143L137-C141 PolarHBondContact O-N 3.48Å; L137-C141 PolarHBondContact O-SG 2.86Å; L138-C141 CarbonylContact O-C 3.47Å; L138-C141 WeakPolarHBondContact O-CA 3.18Å; L138-C141 WeakPolarHBondContact O-CB 3.43Å; L138-C141 PolarHBondContact O-N 3.29Å; Q139-C141 PolarHBondContact O-N 2.94Å; C141-G143 PolarHBondContact O-N 3.44Å
142S92.6Very high94Very high29 Ų2954.2 Ų54.220%0.20327%0.274CS..THydrogen-bonded Turntrans50.243.1-166.5-65.60000111.6K97 L138 Q139 A140 A144 W295 A296 L297K97-S142 WeakPolarHBondContact CE-OG 3.22Å; L138-S142 PolarHBondContact O-N 3.12Å; Q139-S142 WeakPolarHBondContact O-CA 3.18Å; Q139-S142 PolarHBondContact O-N 3.19Å; A140-S142 VanDerWaalsContact C-N 3.34Å; S142-A144 PolarHBondContact O-N 3.12Å; S142-W295 WeakPolarHBondContact CB-O 3.39Å; S142-A296 WeakPolarHBondContact O-CA 3.4Å; S142-A296 WeakPolarHBondContact O-CB 3.21Å; S142-L297 PolarHBondContact O-N 3.39Å
143G93.5Very high94.3Very high11 Ų1151.2 Ų51.211%0.11326%0.26CS..EExtended strand (participates in β ladder)trans-74.4116.8-179.400000112.2L138 C141 L297L138-G143 WeakPolarHBondContact O-CA 3.28Å; L138-G143 PolarHBondContact O-N 3.12Å; C141-G143 PolarHBondContact O-N 3.44Å; G143-L297 CarbonylContact C-O 3.57Å; G143-L297 VanDerWaalsContact CA-O 3.29Å; G143-L297 WeakPolarHBondContact CA-O 3.49Å
144A94.7Very high94.6Very high51 Ų5151 Ų5142%0.42126%0.259SS..EExtended strand (participates in β ladder)trans-112.2105172.300000108.5S142 L297 V298 C299S142-A144 PolarHBondContact O-N 3.12Å; A144-L297 PolarHBondContact N-O 2.79Å; A144-V298 HydrophobicContact CB-CG2 4.3Å; A144-V298 WeakPolarHBondContact O-CA 3.5Å; A144-C299 PolarHBondContact O-N 2.99Å; A144-C299 VanDerWaalsContact O-N 3.09Å
145V96.9Very high94.7Very high26 Ų2655.1 Ų55.116%0.15828%0.278CS..EExtended strand (participates in β ladder)trans-116.6126.4-172.5-174.40000110.8L138 F147 I172 C299 V301L138-V145 HydrophobicContact CD1-CG2 4.12Å; L138-V145 HydrophobicContact CD2-CB 4.49Å; L138-V145 HydrophobicContact CD2-CG2 3.68Å; L138-V145 HydrophobicContact CG-CG2 4.4Å; V145-F147 HydrophobicContact CB-CD2 4.49Å; V145-F147 HydrophobicContact CB-CE2 3.84Å; V145-F147 HydrophobicContact CB-CZ 4.03Å; V145-F147 HydrophobicContact CG1-CD1 4.23Å; V145-F147 HydrophobicContact CG1-CD2 4.01Å; V145-F147 HydrophobicContact CG1-CE1 3.79Å; V145-F147 HydrophobicContact CG1-CE2 3.55Å; V145-F147 HydrophobicContact CG1-CG 4.32Å; V145-F147 HydrophobicContact CG1-CZ 3.42Å; V145-F147 VanDerWaalsContact CG1-CZ 3.42Å; V145-I172 HydrophobicContact CG1-CG2 3.94Å; V145-I172 HydrophobicContact CG2-CG1 4.15Å; V145-I172 HydrophobicContact CG2-CG2 4.17Å; V145-C299 WeakPolarHBondContact CA-O 3.47Å; V145-V301 HydrophobicContact CG1-CB 4.43Å; V145-V301 HydrophobicContact CG1-CG2 3.65Å
146T97.7Very high94.6Very high72 Ų7252 Ų5244%0.44227%0.274SS..EExtended strand (participates in β ladder)trans-100.4116.6172.3-52.90000109.3H148 C299 D300 V301T146-H148 WeakPolarHBondContact CG2-NE2 3.05Å; T146-C299 PolarHBondContact N-O 3.41Å; T146-D300 WeakPolarHBondContact CB-OD1 3.35Å; T146-D300 WeakPolarHBondContact O-CA 3.38Å; T146-V301 PolarHBondContact O-N 3.22Å
147F98Very high94.5Very high29 Ų2951.3 Ų51.313%0.12728%0.277CS..EExtended strand (participates in β ladder)trans-100.3120.6179.1-65-82.7000110.9V145 R150 S175 N176 V301 Y303V145-F147 HydrophobicContact CB-CD2 4.49Å; V145-F147 HydrophobicContact CB-CE2 3.84Å; V145-F147 HydrophobicContact CB-CZ 4.03Å; V145-F147 HydrophobicContact CG1-CD1 4.23Å; V145-F147 HydrophobicContact CG1-CD2 4.01Å; V145-F147 HydrophobicContact CG1-CE1 3.79Å; V145-F147 HydrophobicContact CG1-CE2 3.55Å; V145-F147 HydrophobicContact CG1-CG 4.32Å; V145-F147 HydrophobicContact CG1-CZ 3.42Å; V145-F147 VanDerWaalsContact CG1-CZ 3.42Å; F147-R150 HydrophobicContact CB-CG 3.97Å; F147-R150 VanDerWaalsContact CB-NE 3.35Å; F147-S175 WeakPolarHBondContact CZ-OG 3.49Å; F147-N176 HydrophobicContact CD1-CB 3.88Å; F147-N176 HydrophobicContact CD2-CB 4.29Å; F147-N176 HydrophobicContact CE1-CB 3.49Å; F147-N176 VanDerWaalsContact CE1-CB 3.49Å; F147-N176 HydrophobicContact CE2-CB 3.94Å; F147-N176 HydrophobicContact CG-CB 4.27Å; F147-N176 HydrophobicContact CZ-CB 3.53Å; F147-V301 HydrophobicContact CD1-CB 3.71Å; F147-V301 HydrophobicContact CD1-CG1 3.85Å; F147-V301 HydrophobicContact CD1-CG2 4.2Å; F147-V301 HydrophobicContact CE1-CB 4.05Å; F147-V301 HydrophobicContact CE1-CG1 4.12Å; F147-V301 HydrophobicContact CE1-CG2 4.04Å; F147-Y303 HydrophobicContact CB-CE2 4.34Å; F147-Y303 AromaticContact CD1-CE2 3.72Å; F147-Y303 HydrophobicContact CD1-CE2 3.72Å; F147-Y303 HydrophobicContact CG-CE2 4.45Å
148H98.2Very high94.4Very high56 Ų5648.5 Ų48.526%0.25926%0.263SS..EExtended strand (participates in β ladder)trans-103.9141.9178.7-55.3-83.5000110.7T146 R150 D300 V301 W302 Y303T146-H148 WeakPolarHBondContact CG2-NE2 3.05Å; H148-R150 PolarHBondContact O-N 3.02Å; H148-D300 IonicContact CD2-OD1 3.75Å; H148-D300 IonicContact CE1-OD1 2.72Å; H148-D300 IonicContact NE2-OD1 3.63Å; H148-D300 PolarHBondContact NE2-OD1 3.39Å; H148-V301 PolarHBondContact N-O 2.87Å; H148-W302 VanDerWaalsContact CB-CD1 3.43Å; H148-W302 HydrophobicContact CB-CG 4.07Å; H148-W302 AromaticContact CD2-CD1 3.68Å; H148-W302 AromaticContact CD2-CE2 3.61Å; H148-W302 AromaticContact CD2-NE1 3.35Å; H148-W302 PolarHBondContact CD2-NE1 3.41Å; H148-W302 AromaticContact CG-CD1 3.61Å; H148-W302 AromaticContact CG-NE1 3.52Å; H148-W302 AromaticContact NE2-CE2 3.99Å; H148-W302 AromaticContact NE2-NE1 3.85Å; H148-Y303 WeakPolarHBondContact O-CD2 3.5Å; H148-Y303 PolarHBondContact O-N 3.3Å; H148-Y303 VanDerWaalsContact O-N 3.14Å
149N97.7Very high94.5Very high81 Ų8147.9 Ų47.943%0.43326%0.259SS..  trans5843.6173.3-53.8-20.3000114.9E151 N152 Y303N149-E151 VanDerWaalsContact CA-OE1 3.27Å; N149-E151 WeakPolarHBondContact CA-OE1 3.34Å; N149-E151 VanDerWaalsContact CA-OE2 3.22Å; N149-E151 WeakPolarHBondContact CA-OE2 3.36Å; N149-E151 VanDerWaalsContact CB-OE1 3.29Å; N149-E151 WeakPolarHBondContact CB-OE1 3.39Å; N149-E151 PolarHBondContact O-N 2.88Å; N149-N152 PolarHBondContact O-N 3.5Å; N149-Y303 WeakPolarHBondContact CB-O 3.39Å; N149-Y303 VanDerWaalsContact O-CB 3.3Å; N149-Y303 WeakPolarHBondContact O-CB 3.46Å
150R96.6Very high94.8Very high134 Ų13442.8 Ų42.851%0.50624%0.236SC..G310 helixtrans-56.6-22-173.8-61.6-175.7-168.7-161.71.7114.4F147 H148 N152 A153 N176 Y303F147-R150 HydrophobicContact CB-CG 3.97Å; F147-R150 VanDerWaalsContact CB-NE 3.35Å; H148-R150 PolarHBondContact O-N 3.02Å; R150-N152 PolarHBondContact O-N 3.39Å; R150-A153 WeakPolarHBondContact O-CB 3.43Å; R150-A153 PolarHBondContact O-N 2.95Å; R150-A153 VanDerWaalsContact O-N 3.08Å; R150-N176 PolarHBondContact NH1-OD1 2.86Å; R150-Y303 HydrophobicContact CG-CD2 4.48Å; R150-Y303 HydrophobicContact CG-CE2 4.4Å
151E96.6Very high95.1Very high126 Ų12642.7 Ų42.759%0.58924%0.235SC*.G310 helixtrans-58.7-25.9173.668.1-73.6169.500113.5N149 A153N149-E151 VanDerWaalsContact CA-OE1 3.27Å; N149-E151 WeakPolarHBondContact CA-OE1 3.34Å; N149-E151 VanDerWaalsContact CA-OE2 3.22Å; N149-E151 WeakPolarHBondContact CA-OE2 3.36Å; N149-E151 VanDerWaalsContact CB-OE1 3.29Å; N149-E151 WeakPolarHBondContact CB-OE1 3.39Å; N149-E151 PolarHBondContact O-N 2.88Å; E151-A153 VanDerWaalsContact C-N 3.32Å
152N97.5Very high95.5Very high33 Ų3341.9 Ų41.918%0.17623%0.23CC..G310 helixtrans-88.96.5177.4-62.2-44.9000113.5N149 R150 Y303 L304N149-N152 PolarHBondContact O-N 3.5Å; R150-N152 PolarHBondContact O-N 3.39Å; N152-Y303 PolarHBondContact ND2-O 3.09Å; N152-L304 WeakPolarHBondContact CB-O 3.26Å
153A96.5Very high95.7Very high16 Ų1640.6 Ų40.613%0.13222%0.22CC..  trans-58.2148.1177.800000112.1R150 E151 Y303R150-A153 WeakPolarHBondContact O-CB 3.43Å; R150-A153 PolarHBondContact O-N 2.95Å; R150-A153 VanDerWaalsContact O-N 3.08Å; E151-A153 VanDerWaalsContact C-N 3.32Å; A153-Y303 HydrophobicContact CB-CD1 4.15Å; A153-Y303 HydrophobicContact CB-CE1 4.17Å; A153-Y303 HydrophobicContact CB-CG 4.47Å
154A95.6Very high95.8Very high6 Ų641.4 Ų41.45%0.0522%0.221CC..  trans-60.5139.9-175.800000112.9C160 N177 Y179 P232 Y262A154-C160 HydrophobicContact CB-CB 3.74Å; A154-N177 PolarHBondContact O-ND2 3.4Å; A154-Y179 HydrophobicContact CB-CE1 3.88Å; A154-P232 HydrophobicContact CB-CB 3.78Å; A154-P232 HydrophobicContact CB-CG 4.13Å; A154-Y262 HydrophobicContact CB-CD1 4.3Å; A154-Y262 HydrophobicContact CB-CD2 4.06Å; A154-Y262 HydrophobicContact CB-CG 3.78Å
155K93Very high95.8Very high119 Ų11939 Ų3952%0.51720%0.202SC..  trans-111.6155.4-178.3-58.8179.4-175.5176.10110.5G158 P232 Y262K155-G158 PolarHBondContact O-N 2.96Å; K155-G158 VanDerWaalsContact O-N 3.12Å; K155-P232 WeakPolarHBondContact O-CB 3.35Å; K155-Y262 HydrophobicContact CG-CE1 4.4Å
156P91.4Very high95.7Very high63 Ų6337.8 Ų37.841%0.40919%0.194SC..THydrogen-bonded Turntrans-47.4141.2172.2-3037.6000112.6G158 K228 K230P156-G158 VanDerWaalsContact C-N 3.32Å; P156-K228 VanDerWaalsContact CB-O 3.32Å; P156-K228 WeakPolarHBondContact CB-O 3.41Å; P156-K230 WeakPolarHBondContact CB-O 3.13Å
157G89.2Confident95.4Very high26 Ų2636.3 Ų36.327%0.26819%0.186SC..THydrogen-bonded Turntrans77.112.2-17300000115.4V225G157-V225 VanDerWaalsContact CA-O 3.26Å; G157-V225 WeakPolarHBondContact CA-O 2.97Å; G157-V225 WeakPolarHBondContact O-CG1 3.49Å
158G91.6Very high95.1Very high2 Ų235.5 Ų35.52%0.02118%0.183CC..  trans-122.6166.2175.400000113.6K155 P156 P232 I233K155-G158 PolarHBondContact O-N 2.96Å; K155-G158 VanDerWaalsContact O-N 3.12Å; P156-G158 VanDerWaalsContact C-N 3.32Å; G158-P232 WeakPolarHBondContact O-CA 3.12Å; G158-I233 PolarHBondContact O-N 2.92Å; G158-I233 VanDerWaalsContact O-N 3.1Å
159I95.6Very high95Very high0 Ų032.9 Ų32.90%017%0.17CC..EExtended strand (participates in β ladder)trans-112.9121.4172.8-55.5-179000109.3V161 V225 I233 I235 V257 C258 I261 Y262I159-V161 HydrophobicContact CG2-CG2 4.09Å; I159-V225 HydrophobicContact CD1-CG2 4.21Å; I159-V225 HydrophobicContact CG1-CG2 3.95Å; I159-I233 CarbonylContact C-O 3.55Å; I159-I233 WeakPolarHBondContact CA-O 3.18Å; I159-I233 HydrophobicContact CG1-CB 4.31Å; I159-I235 HydrophobicContact CD1-CD1 4.39Å; I159-I235 HydrophobicContact CG2-CB 4.24Å; I159-I235 HydrophobicContact CG2-CD1 3.78Å; I159-I235 HydrophobicContact CG2-CG1 3.9Å; I159-V257 HydrophobicContact CD1-CB 4.24Å; I159-V257 HydrophobicContact CD1-CG1 4.23Å; I159-C258 HydrophobicContact CD1-CB 3.57Å; I159-C258 HydrophobicContact CG1-CB 3.83Å; I159-I261 HydrophobicContact CB-CD1 3.82Å; I159-I261 HydrophobicContact CG2-CD1 4.26Å; I159-I261 WeakPolarHBondContact O-CA 3.35Å; I159-Y262 PolarHBondContact O-N 3.16Å
160C97.3Very high94.9Very high0 Ų029.8 Ų29.80%016%0.156CC..EExtended strand (participates in β ladder)trans-81.3126.2168.4-168.40000109.6A154 Y179 I233 L234 I235 Y262 V264A154-C160 HydrophobicContact CB-CB 3.74Å; C160-Y179 HydrophobicContact CB-CD1 4.01Å; C160-Y179 HydrophobicContact CB-CE1 3.58Å; C160-I233 WeakPolarHBondContact CB-O 3.37Å; C160-I233 PolarHBondContact N-O 3.12Å; C160-L234 HydrophobicContact CB-CD1 3.98Å; C160-I235 PolarHBondContact O-N 2.81Å; C160-Y262 WeakPolarHBondContact CA-O 3.47Å; C160-V264 VanDerWaalsContact SG-CG2 3.53Å
161V97.4Very high94.8Very high0 Ų024.7 Ų24.70%014%0.139CC..EExtended strand (participates in β ladder)trans-120.8128.4179.8165.40000109.4I159 I235 P237 F250 F255 I261 Y262 P263 V264 V322 I326I159-V161 HydrophobicContact CG2-CG2 4.09Å; V161-I235 WeakPolarHBondContact CA-O 3.34Å; V161-P237 HydrophobicContact CG1-CG 3.49Å; V161-P237 VanDerWaalsContact CG1-CG 3.49Å; V161-F250 HydrophobicContact CG1-CD2 4.26Å; V161-F250 HydrophobicContact CG1-CE2 3.58Å; V161-F250 HydrophobicContact CG1-CZ 4.08Å; V161-F255 HydrophobicContact CG1-CZ 4.14Å; V161-F255 HydrophobicContact CG2-CZ 4.23Å; V161-I261 HydrophobicContact CB-CG2 3.74Å; V161-I261 HydrophobicContact CG2-CD1 4.26Å; V161-I261 HydrophobicContact CG2-CG2 3.63Å; V161-Y262 PolarHBondContact N-O 3.14Å; V161-P263 CarbonylContact O-C 3.55Å; V161-P263 WeakPolarHBondContact O-CA 3.49Å; V161-V264 PolarHBondContact O-N 3.45Å; V161-V322 HydrophobicContact CG1-CG1 4.22Å; V161-I326 HydrophobicContact CG1-CD1 3.91Å; V161-I326 WeakPolarHBondContact O-CD1 3.19Å
162A97.7Very high94.8Very high0 Ų018.7 Ų18.70%011%0.111CC..EExtended strand (participates in β ladder)trans-134.3158.6176.900000112.4L173 I235 F236 V264 I266A162-L173 HydrophobicContact CB-CD1 4.1Å; A162-I235 PolarHBondContact N-O 3.23Å; A162-F236 HydrophobicContact CB-CD1 4.16Å; A162-F236 HydrophobicContact CB-CE1 3.88Å; A162-V264 VanDerWaalsContact CA-O 3.28Å; A162-V264 WeakPolarHBondContact CA-O 3.46Å; A162-V264 HydrophobicContact CB-CB 4.16Å; A162-I266 HydrophobicContact CB-CD1 4.18Å
163N97Very high94.8Very high1 Ų117.1 Ų17.11%0.00510%0.102CC..  trans-65.7154.9165.162.8-68.8000110.7E238 N244 V247 I266 I326 L332N163-E238 WeakPolarHBondContact CA-OE1 2.9Å; N163-E238 WeakPolarHBondContact CB-OE1 3.47Å; N163-N244 PolarHBondContact ND2-ND2 2.96Å; N163-V247 HydrophobicContact CB-CG1 4.35Å; N163-V247 HydrophobicContact CB-CG2 4.04Å; N163-I266 PolarHBondContact ND2-O 2.94Å; N163-I266 PolarHBondContact OD1-N 3.47Å; N163-I326 HydrophobicContact CB-CG2 4.04Å; N163-L332 HydrophobicContact CB-CD1 4.39Å
164H95.9Very high94.7Very high28 Ų2816.7 Ų16.713%0.1310%0.098CC..  trans-126.5112.2-168.1-160.732.8000114.4S166 D169 F236 E238 T240 C241 V242H164-S166 PolarHBondContact CE1-O 3.34Å; H164-D169 WeakPolarHBondContact CA-OD2 3.5Å; H164-D169 IonicContact CE1-OD2 2.76Å; H164-D169 IonicContact CG-OD2 3.51Å; H164-D169 IonicContact ND1-OD2 3.7Å; H164-D169 PolarHBondContact ND1-OD2 3.27Å; H164-F236 HydrophobicContact CB-CB 3.8Å; H164-F236 HydrophobicContact CB-CD1 3.83Å; H164-F236 HydrophobicContact CB-CG 4.05Å; H164-F236 AromaticContact CE1-CD2 3.94Å; H164-F236 AromaticContact CE1-CG 3.94Å; H164-F236 AromaticContact CG-CD1 3.76Å; H164-F236 AromaticContact CG-CG 3.66Å; H164-F236 AromaticContact ND1-CD1 3.49Å; H164-F236 WeakPolarHBondContact ND1-CD1 3.21Å; H164-F236 AromaticContact ND1-CD2 3.95Å; H164-F236 AromaticContact ND1-CE1 3.88Å; H164-F236 AromaticContact ND1-CG 3.53Å; H164-E238 PolarHBondContact N-OE1 3.08Å; H164-T240 PolarHBondContact CD2-O 2.63Å; H164-C241 PolarHBondContact NE2-SG 3.24Å; H164-V242 PolarHBondContact O-N 3.44Å
165T94.8Very high94.6Very high2 Ų216.6 Ų16.61%0.01210%0.097CC..SBendtrans-103.7-42178.8-48.60000112.8D169 C241 V242 N244 Y268 A275 F276 W277T165-D169 PolarHBondContact N-OD2 2.64Å; T165-C241 WeakPolarHBondContact O-CB 3.26Å; T165-V242 VanDerWaalsContact CA-O 3.24Å; T165-V242 WeakPolarHBondContact CA-O 3.3Å; T165-N244 HydrophobicContact CG2-CB 3.81Å; T165-N244 WeakPolarHBondContact OG1-CB 3.45Å; T165-N244 PolarHBondContact OG1-ND2 2.92Å; T165-Y268 HydrophobicContact CG2-CD2 4.02Å; T165-Y268 HydrophobicContact CG2-CE2 3.95Å; T165-A275 HydrophobicContact CG2-CB 4.04Å; T165-F276 HydrophobicContact CG2-CB 4.36Å; T165-W277 PolarHBondContact O-N 3.5Å
166S93.6Very high94.7Very high0 Ų012.2 Ų12.20%08%0.08CC..  trans-168.1173.417969.40000112H164 I168 D169 A275 Y287H164-S166 PolarHBondContact CE1-O 3.34Å; S166-I168 PolarHBondContact O-N 3.02Å; S166-I168 PolarHBondContact OG-N 3.17Å; S166-D169 PolarHBondContact N-OD2 2.62Å; S166-D169 WeakPolarHBondContact O-CB 3.38Å; S166-D169 PolarHBondContact O-N 3.2Å; S166-A275 WeakPolarHBondContact CB-O 3.42Å; S166-A275 PolarHBondContact OG-O 2.88Å; S166-Y287 WeakPolarHBondContact CB-OH 3.47Å; S166-Y287 PolarHBondContact OG-OH 3.41Å
167P91.5Very high94.9Very high41 Ų4110.6 Ų10.627%0.2667%0.068SC..THydrogen-bonded Turntrans-58-17.1175.7-27.337.4000114.2D169 A170 W277 Y284P167-D169 VanDerWaalsContact C-N 3.26Å; P167-D169 PolarHBondContact O-N 3.12Å; P167-A170 PolarHBondContact O-N 2.98Å; P167-W277 VanDerWaalsContact CD-CE3 3.48Å; P167-W277 HydrophobicContact CG-CE3 3.55Å; P167-W277 HydrophobicContact CG-CZ3 3.63Å; P167-Y284 HydrophobicContact CB-CE2 4.35Å; P167-Y284 HydrophobicContact CG-CE2 4.18Å
168I93.2Very high95Very high12 Ų129.6 Ų9.66%0.0626%0.057CC..Hα-helixtrans-71.9-22.1178-56.2178.6000111.9S166 A170 L171 I172 Y287 M291 L297S166-I168 PolarHBondContact O-N 3.02Å; S166-I168 PolarHBondContact OG-N 3.17Å; I168-A170 PolarHBondContact O-N 2.74Å; I168-L171 HydrophobicContact CG2-CB 4.33Å; I168-L171 HydrophobicContact CG2-CD2 4.33Å; I168-L171 CarbonylContact O-C 3.59Å; I168-L171 WeakPolarHBondContact O-CA 3.48Å; I168-L171 WeakPolarHBondContact O-CB 3.37Å; I168-L171 PolarHBondContact O-N 2.97Å; I168-I172 HydrophobicContact CG2-CD1 3.91Å; I168-I172 HydrophobicContact CG2-CG1 4.14Å; I168-I172 PolarHBondContact O-N 2.87Å; I168-Y287 HydrophobicContact CD1-CE1 3.81Å; I168-Y287 WeakPolarHBondContact CD1-OH 3.45Å; I168-Y287 HydrophobicContact CG1-CE1 3.99Å; I168-M291 HydrophobicContact CD1-CB 4.4Å; I168-M291 HydrophobicContact CD1-CG 3.58Å; I168-M291 HydrophobicContact CD1-SD 3.49Å; I168-M291 WeakPolarHBondContact CD1-SD 3.3Å; I168-L297 HydrophobicContact CB-CD2 4.41Å; I168-L297 HydrophobicContact CD1-CD2 4.33Å; I168-L297 HydrophobicContact CG2-CD2 3.37Å
169D96.1Very high95.2Very high0 Ų09.9 Ų9.90%06%0.057CC..Hα-helixtrans-54.2-40.7174-56.5-28.5000111.1H164 T165 S166 P167 I172 L173 F236 I266 Y268H164-D169 WeakPolarHBondContact CA-OD2 3.5Å; H164-D169 IonicContact CE1-OD2 2.76Å; H164-D169 IonicContact CG-OD2 3.51Å; H164-D169 IonicContact ND1-OD2 3.7Å; H164-D169 PolarHBondContact ND1-OD2 3.27Å; T165-D169 PolarHBondContact N-OD2 2.64Å; S166-D169 PolarHBondContact N-OD2 2.62Å; S166-D169 WeakPolarHBondContact O-CB 3.38Å; S166-D169 PolarHBondContact O-N 3.2Å; P167-D169 VanDerWaalsContact C-N 3.26Å; P167-D169 PolarHBondContact O-N 3.12Å; D169-I172 PolarHBondContact O-N 3.36Å; D169-L173 WeakPolarHBondContact O-CG 3.4Å; D169-L173 PolarHBondContact O-N 2.69Å; D169-L173 VanDerWaalsContact O-N 3.07Å; D169-F236 HydrophobicContact CB-CE1 3.58Å; D169-F236 HydrophobicContact CB-CZ 3.61Å; D169-I266 HydrophobicContact CB-CD1 3.88Å; D169-Y268 VanDerWaalsContact OD1-CE2 3.26Å; D169-Y268 WeakPolarHBondContact OD1-CE2 3.48Å; D169-Y268 PolarHBondContact OD1-OH 3.07Å
170A95Very high95.1Very high16 Ų169.9 Ų9.913%0.1326%0.057CC..Hα-helixtrans-63.9-42176.300000111.6P167 I168 A174 L181 L234 F236P167-A170 PolarHBondContact O-N 2.98Å; I168-A170 PolarHBondContact O-N 2.74Å; A170-A174 WeakPolarHBondContact O-CB 3.45Å; A170-A174 PolarHBondContact O-N 2.98Å; A170-L181 HydrophobicContact CB-CD2 3.99Å; A170-L234 HydrophobicContact CB-CD2 4.25Å; A170-F236 HydrophobicContact CB-CE2 4.14Å; A170-F236 HydrophobicContact CB-CZ 4.31Å
171L94.6Very high94.9Very high28 Ų2811.5 Ų11.515%0.1477%0.066CC..Hα-helixtrans-64.3-43.8177.1173.661.7000111.9Y134 L137 L138 I168 A174 S175Y134-L171 HydrophobicContact CD1-CD1 3.79Å; Y134-L171 HydrophobicContact CG-CD1 4.38Å; Y134-L171 WeakPolarHBondContact O-CD1 3.45Å; L137-L171 HydrophobicContact CB-CD1 3.65Å; L137-L171 HydrophobicContact CB-CD2 4.02Å; L137-L171 HydrophobicContact CB-CG 4.48Å; L137-L171 HydrophobicContact CD1-CD1 4.2Å; L138-L171 HydrophobicContact CB-CG 4.43Å; I168-L171 HydrophobicContact CG2-CB 4.33Å; I168-L171 HydrophobicContact CG2-CD2 4.33Å; I168-L171 CarbonylContact O-C 3.59Å; I168-L171 WeakPolarHBondContact O-CA 3.48Å; I168-L171 WeakPolarHBondContact O-CB 3.37Å; I168-L171 PolarHBondContact O-N 2.97Å; L171-A174 PolarHBondContact O-N 2.85Å; L171-S175 PolarHBondContact O-N 3.34Å
172I96.4Very high94.6Very high0 Ų013.7 Ų13.70%08%0.079CC..Hα-helixtrans-58.4-51.6177.6-77.5157.3000110.2L138 V145 I168 D169 A174 S175 Y268 L297 V301L138-I172 HydrophobicContact CD1-CG1 3.85Å; V145-I172 HydrophobicContact CG1-CG2 3.94Å; V145-I172 HydrophobicContact CG2-CG1 4.15Å; V145-I172 HydrophobicContact CG2-CG2 4.17Å; I168-I172 HydrophobicContact CG2-CD1 3.91Å; I168-I172 HydrophobicContact CG2-CG1 4.14Å; I168-I172 PolarHBondContact O-N 2.87Å; D169-I172 PolarHBondContact O-N 3.36Å; I172-A174 VanDerWaalsContact C-N 3.35Å; I172-A174 PolarHBondContact O-N 3.4Å; I172-S175 WeakPolarHBondContact O-CB 3.49Å; I172-S175 PolarHBondContact O-N 3.25Å; I172-S175 PolarHBondContact O-OG 2.96Å; I172-Y268 HydrophobicContact CD1-CE1 3.51Å; I172-Y268 WeakPolarHBondContact CD1-OH 3.3Å; I172-L297 HydrophobicContact CD1-CD2 3.96Å; I172-L297 HydrophobicContact CG1-CD2 4.48Å; I172-V301 HydrophobicContact CG2-CG2 3.58Å
173L97.1Very high94.1Very high0 Ų014.8 Ų14.80%09%0.09CC..Hα-helixtrans-64.5-42.6178.3-63.2-179.8000111.2A162 D169 S175 N176 N177 Y179 L234 V264 I266 V301A162-L173 HydrophobicContact CB-CD1 4.1Å; D169-L173 WeakPolarHBondContact O-CG 3.4Å; D169-L173 PolarHBondContact O-N 2.69Å; D169-L173 VanDerWaalsContact O-N 3.07Å; L173-S175 PolarHBondContact O-N 2.85Å; L173-S175 VanDerWaalsContact O-N 3.17Å; L173-N176 PolarHBondContact O-N 3.06Å; L173-N176 VanDerWaalsContact O-N 3.12Å; L173-N177 PolarHBondContact O-N 2.86Å; L173-N177 VanDerWaalsContact O-N 3.12Å; L173-Y179 HydrophobicContact CB-CD2 4.34Å; L173-Y179 HydrophobicContact CB-CE2 3.8Å; L173-Y179 WeakPolarHBondContact O-CE2 3.17Å; L173-L234 HydrophobicContact CB-CD2 4.27Å; L173-L234 HydrophobicContact CD1-CD1 3.54Å; L173-L234 HydrophobicContact CD1-CD2 3.92Å; L173-L234 HydrophobicContact CD1-CG 4.4Å; L173-V264 HydrophobicContact CD2-CG1 3.74Å; L173-I266 HydrophobicContact CD1-CD1 4.11Å; L173-I266 HydrophobicContact CD2-CD1 4.18Å; L173-I266 HydrophobicContact CD2-CG1 4.46Å; L173-I266 HydrophobicContact CG-CD1 4.07Å; L173-V301 HydrophobicContact CD2-CG1 3.71Å
174A94.7Very high93.6Very high6 Ų617.5 Ų17.55%0.0510%0.103CC..Hα-helixtrans-61.9-21.7179.100000114L131 Y134 A170 L171 I172 N176 N177L131-A174 WeakPolarHBondContact CD2-O 3.1Å; Y134-A174 HydrophobicContact CD1-CB 3.88Å; Y134-A174 HydrophobicContact CD2-CB 3.63Å; Y134-A174 VanDerWaalsContact CD2-O 3.28Å; Y134-A174 WeakPolarHBondContact CD2-O 3.36Å; Y134-A174 HydrophobicContact CE1-CB 4.09Å; Y134-A174 HydrophobicContact CE2-CB 3.86Å; Y134-A174 HydrophobicContact CG-CB 3.66Å; A170-A174 WeakPolarHBondContact O-CB 3.45Å; A170-A174 PolarHBondContact O-N 2.98Å; L171-A174 PolarHBondContact O-N 2.85Å; I172-A174 VanDerWaalsContact C-N 3.35Å; I172-A174 PolarHBondContact O-N 3.4Å; A174-N176 VanDerWaalsContact C-N 3.32Å; A174-N177 CarbonylContact C-O 3.52Å; A174-N177 WeakPolarHBondContact CA-O 3.18Å
175S94.3Very high93.2Very high4 Ų420.7 Ų20.73%0.02812%0.117CC..THydrogen-bonded Turntrans-73-22.1177.377.40000113.8R135 F147 L171 I172 L173R135-S175 PolarHBondContact NE-O 2.9Å; F147-S175 WeakPolarHBondContact CZ-OG 3.49Å; L171-S175 PolarHBondContact O-N 3.34Å; I172-S175 WeakPolarHBondContact O-CB 3.49Å; I172-S175 PolarHBondContact O-N 3.25Å; I172-S175 PolarHBondContact O-OG 2.96Å; L173-S175 PolarHBondContact O-N 2.85Å; L173-S175 VanDerWaalsContact O-N 3.17Å
176N95Very high92.6Very high28 Ų2824.4 Ų24.415%0.1513%0.134CC..THydrogen-bonded Turntrans-105.8-35.2178.6-175.864.9000113F147 R150 L173 A174 Y303F147-N176 HydrophobicContact CD1-CB 3.88Å; F147-N176 HydrophobicContact CD2-CB 4.29Å; F147-N176 HydrophobicContact CE1-CB 3.49Å; F147-N176 VanDerWaalsContact CE1-CB 3.49Å; F147-N176 HydrophobicContact CE2-CB 3.94Å; F147-N176 HydrophobicContact CG-CB 4.27Å; F147-N176 HydrophobicContact CZ-CB 3.53Å; R150-N176 PolarHBondContact NH1-OD1 2.86Å; L173-N176 PolarHBondContact O-N 3.06Å; L173-N176 VanDerWaalsContact O-N 3.12Å; A174-N176 VanDerWaalsContact C-N 3.32Å; N176-Y303 WeakPolarHBondContact ND2-CE2 3.44Å; N176-Y303 PolarHBondContact ND2-OH 2.83Å
177N94.1Very high92Very high29 Ų2926.9 Ų26.916%0.15516%0.16CC..SBendtrans-141.1155.1178.2-171.824.8000111.3A154 L173 A174 Y179A154-N177 PolarHBondContact O-ND2 3.4Å; L173-N177 PolarHBondContact O-N 2.86Å; L173-N177 VanDerWaalsContact O-N 3.12Å; A174-N177 CarbonylContact C-O 3.52Å; A174-N177 WeakPolarHBondContact CA-O 3.18Å; N177-Y179 HydrophobicContact CB-CE2 3.69Å; N177-Y179 WeakPolarHBondContact O-CD2 3.42Å; N177-Y179 VanDerWaalsContact O-CE2 3.24Å; N177-Y179 WeakPolarHBondContact O-CE2 3.26Å
178C92.5Very high91.7Very high5 Ų530.6 Ų30.63%0.03419%0.187CC..  trans-87.9135.6177.1-60.30000110.8L231C178-L231 HydrophobicContact CB-CD1 3.68Å; C178-L231 HydrophobicContact CB-CD2 3.8Å; C178-L231 HydrophobicContact CB-CG 4.39Å
179Y94.5Very high91Very high7 Ų736.7 Ų36.73%0.02721%0.213CC..  trans-130.7147.1-178.7-61.8-87.1000112.4A154 C160 L173 N177 L181 H203 P232 L234A154-Y179 HydrophobicContact CB-CE1 3.88Å; C160-Y179 HydrophobicContact CB-CD1 4.01Å; C160-Y179 HydrophobicContact CB-CE1 3.58Å; L173-Y179 HydrophobicContact CB-CD2 4.34Å; L173-Y179 HydrophobicContact CB-CE2 3.8Å; L173-Y179 WeakPolarHBondContact O-CE2 3.17Å; N177-Y179 HydrophobicContact CB-CE2 3.69Å; N177-Y179 WeakPolarHBondContact O-CD2 3.42Å; N177-Y179 VanDerWaalsContact O-CE2 3.24Å; N177-Y179 WeakPolarHBondContact O-CE2 3.26Å; Y179-L181 PolarHBondContact O-N 3.05Å; Y179-H203 PolarHBondContact O-CE1 3.43Å; Y179-P232 WeakPolarHBondContact CA-O 3.12Å; Y179-P232 HydrophobicContact CD1-CB 4.33Å; Y179-P232 HydrophobicContact CD1-CG 3.95Å; Y179-P232 HydrophobicContact CE1-CG 4.27Å; Y179-L234 HydrophobicContact CD1-CB 3.91Å; Y179-L234 HydrophobicContact CD2-CD2 4.46Å; Y179-L234 HydrophobicContact CG-CB 3.91Å; Y179-L234 HydrophobicContact CG-CD2 4.34Å
180A94.2Very high90.2Very high1 Ų139.4 Ų39.41%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-81.1104.6162.300000109.1H224 L231 P232 I233 L234A180-H224 VanDerWaalsContact CB-CE1 3.43Å; A180-H224 WeakPolarHBondContact CB-CE1 3.24Å; A180-H224 WeakPolarHBondContact CB-NE2 3.33Å; A180-L231 HydrophobicContact CB-CB 4.24Å; A180-P232 PolarHBondContact N-O 2.86Å; A180-I233 WeakPolarHBondContact O-CA 3.49Å; A180-L234 PolarHBondContact O-N 3.49Å
181L93.5Very high89.6Confident33 Ų3339.1 Ų39.117%0.17323%0.225CC..EExtended strand (participates in β ladder)trans-67.3142173.9-55.4178.3000112A170 Y179 H203 I204 W205 L234A170-L181 HydrophobicContact CB-CD2 3.99Å; Y179-L181 PolarHBondContact O-N 3.05Å; L181-H203 WeakPolarHBondContact CB-ND1 3.36Å; L181-H203 PolarHBondContact N-ND1 3.41Å; L181-I204 PolarHBondContact O-N 2.98Å; L181-W205 HydrophobicContact CB-CH2 4.34Å; L181-L234 HydrophobicContact CD2-CB 4.28Å; L181-L234 HydrophobicContact CD2-CD2 3.87Å; L181-L234 HydrophobicContact CD2-CG 4.49Å
182V90.8Very high89.1Confident46 Ų4643.5 Ų43.528%0.27924%0.243SC..EExtended strand (participates in β ladder)trans-113.2129.3170.8-177.10000109.1I204 F206 L221 I233 I235V182-I204 WeakPolarHBondContact CA-O 3.29Å; V182-I204 HydrophobicContact CG2-CB 4.33Å; V182-I204 HydrophobicContact CG2-CD1 4.42Å; V182-F206 HydrophobicContact CG1-CD2 4.01Å; V182-F206 HydrophobicContact CG1-CE2 3.67Å; V182-L221 HydrophobicContact CG2-CD2 3.92Å; V182-I233 HydrophobicContact CG2-CG2 3.24Å; V182-I235 HydrophobicContact CG2-CD1 4.5Å; V182-I235 HydrophobicContact CG2-CG1 4.16Å
183G87.9Confident88.3Confident23 Ų2346.8 Ų46.824%0.23726%0.261CS..EExtended strand (participates in β ladder)trans-164.5-179.4177.400000113.9I204 W205 F206G183-I204 PolarHBondContact N-O 2.64Å; G183-I204 VanDerWaalsContact N-O 3.09Å; G183-W205 CarbonylContact O-C 3.46Å; G183-W205 WeakPolarHBondContact O-CA 3.22Å; G183-F206 PolarHBondContact O-N 3.35Å
184Q86.2Confident87.7Confident59 Ų5948 Ų4828%0.27627%0.266SS..EExtended strand (participates in β ladder)trans-85.1137.1173.9-169.6-169.9-5600110.1Q186 Q194 F206 R208 I211Q184-Q186 PolarHBondContact O-N 3.09Å; Q184-Q194 PolarHBondContact O-NE2 2.74Å; Q184-Q194 VanDerWaalsContact O-NE2 3.09Å; Q184-F206 CarbonylContact C-O 3.52Å; Q184-F206 WeakPolarHBondContact CA-O 3.35Å; Q184-R208 VanDerWaalsContact CD-CG 3.49Å; Q184-R208 HydrophobicContact CG-CG 4.12Å; Q184-R208 VanDerWaalsContact NE2-CG 3.26Å; Q184-I211 HydrophobicContact CB-CD1 3.77Å; Q184-I211 HydrophobicContact CG-CD1 3.58Å
185K86.3Confident87.2Confident95 Ų9552.3 Ų52.341%0.41329%0.288SS..  trans-56.8131.7168.7-71.8-171.4-166.9168.50109.8W205 F206 E207K185-W205 HydrophobicContact CD-CB 4.45Å; K185-W205 WeakPolarHBondContact CE-O 3.42Å; K185-W205 HydrophobicContact CG-CB 3.47Å; K185-W205 VanDerWaalsContact CG-CB 3.47Å; K185-F206 PolarHBondContact N-O 3.14Å; K185-E207 HydrophobicContact CD-CG 3.77Å; K185-E207 HydrophobicContact CG-CG 4.49Å; K185-E207 IonicContact NZ-OE1 2.87Å; K185-E207 PolarHBondContact NZ-OE1 3.13Å
186Q83.1Confident86.4Confident79 Ų7954.2 Ų54.237%0.36930%0.301SS..  trans-108.6153.1175.8-61.5-62-21.500110.2Q184 L190 G191Q184-Q186 PolarHBondContact O-N 3.09Å; Q186-L190 HydrophobicContact CB-CB 3.75Å; Q186-L190 HydrophobicContact CB-CD1 4.49Å; Q186-L190 HydrophobicContact CG-CB 4.38Å; Q186-L190 HydrophobicContact CG-CD1 4.5Å; Q186-G191 WeakPolarHBondContact O-CA 3.44Å
187G82Confident85.7Confident53 Ų5355.3 Ų55.355%0.54631%0.307SS..  trans-83.4175.2171.900000112.6G191G187-G191 PolarHBondContact O-N 2.96Å
188S83.8Confident85.3Confident119 Ų11956 Ų5683%0.83231%0.314SS*.Hα-helixtrans60.2-145.1171.1-50.60000113.6L190 G191 F192S188-L190 VanDerWaalsContact C-N 3.29Å; S188-L190 PolarHBondContact O-N 3.02Å; S188-G191 PolarHBondContact O-N 2.91Å; S188-G191 VanDerWaalsContact O-N 3.1Å; S188-F192 PolarHBondContact O-N 2.89Å
189F78.2Confident84.5Confident140 Ų14065.3 Ų65.361%0.61435%0.348SS*.Hα-helixtrans-56.9-37.6-178.2-179-112.1000113.7G191 F192 L193F189-G191 VanDerWaalsContact C-N 3.33Å; F189-G191 PolarHBondContact O-N 3.28Å; F189-F192 WeakPolarHBondContact O-CB 3.29Å; F189-F192 PolarHBondContact O-N 2.84Å; F189-L193 HydrophobicContact CD1-CD1 3.96Å; F189-L193 HydrophobicContact CD1-CG 4.39Å; F189-L193 HydrophobicContact CE1-CD1 3.48Å; F189-L193 VanDerWaalsContact CE1-CD1 3.48Å; F189-L193 HydrophobicContact CE1-CD2 4.45Å; F189-L193 HydrophobicContact CE1-CG 4.03Å; F189-L193 HydrophobicContact CE2-CD2 4.37Å; F189-L193 HydrophobicContact CE2-CG 4.41Å; F189-L193 HydrophobicContact CZ-CD1 3.9Å; F189-L193 HydrophobicContact CZ-CD2 4Å; F189-L193 HydrophobicContact CZ-CG 4.03Å; F189-L193 WeakPolarHBondContact O-CG 3.48Å; F189-L193 PolarHBondContact O-N 2.79Å
190L79.4Confident83.6Confident57 Ų5769 Ų6930%0.29837%0.368SS..Hα-helixtrans-64.9-37.6177-68.1177.7000111.9Q186 S188 L193 Q194 Y284Q186-L190 HydrophobicContact CB-CB 3.75Å; Q186-L190 HydrophobicContact CB-CD1 4.49Å; Q186-L190 HydrophobicContact CG-CB 4.38Å; Q186-L190 HydrophobicContact CG-CD1 4.5Å; S188-L190 VanDerWaalsContact C-N 3.29Å; S188-L190 PolarHBondContact O-N 3.02Å; L190-L193 HydrophobicContact CD2-CD1 4.45Å; L190-L193 PolarHBondContact O-N 2.94Å; L190-Q194 VanDerWaalsContact O-CG 3.3Å; L190-Q194 WeakPolarHBondContact O-CG 3.48Å; L190-Q194 PolarHBondContact O-N 3.18Å; L190-Y284 HydrophobicContact CD2-CD1 4.14Å; L190-Y284 HydrophobicContact CD2-CE1 3.96Å
191G83.3Confident83.1Confident9 Ų970.6 Ų70.69%0.09338%0.375CS..Hα-helixtrans-64.6-38.7173.800000112.6Q186 G187 S188 F189 Q194 N195Q186-G191 WeakPolarHBondContact O-CA 3.44Å; G187-G191 PolarHBondContact O-N 2.96Å; S188-G191 PolarHBondContact O-N 2.91Å; S188-G191 VanDerWaalsContact O-N 3.1Å; F189-G191 VanDerWaalsContact C-N 3.33Å; F189-G191 PolarHBondContact O-N 3.28Å; G191-Q194 PolarHBondContact O-N 3.16Å; G191-N195 WeakPolarHBondContact O-CB 3.46Å; G191-N195 VanDerWaalsContact O-CG 3.23Å; G191-N195 PolarHBondContact O-N 3.13Å; G191-N195 PolarHBondContact O-ND2 3.01Å
192F83.4Confident82.8Confident121 Ų12172 Ų7253%0.53139%0.388SS..Hα-helixtrans-61-47.4172.4171.9-98.5000111.8S188 F189 Q194 N195 C196S188-F192 PolarHBondContact O-N 2.89Å; F189-F192 WeakPolarHBondContact O-CB 3.29Å; F189-F192 PolarHBondContact O-N 2.84Å; F192-Q194 PolarHBondContact O-N 3.32Å; F192-N195 WeakPolarHBondContact O-CB 3.39Å; F192-N195 PolarHBondContact O-N 3.36Å; F192-C196 PolarHBondContact O-N 2.66Å; F192-C196 PolarHBondContact O-SG 2.93Å
193L80.4Confident82.8Confident69 Ų6970.7 Ų70.736%0.36138%0.378SS..Hα-helixtrans-61-43176.4-67.9179.6000112.2F189 L190 N195 C196 L197F189-L193 HydrophobicContact CD1-CD1 3.96Å; F189-L193 HydrophobicContact CD1-CG 4.39Å; F189-L193 HydrophobicContact CE1-CD1 3.48Å; F189-L193 VanDerWaalsContact CE1-CD1 3.48Å; F189-L193 HydrophobicContact CE1-CD2 4.45Å; F189-L193 HydrophobicContact CE1-CG 4.03Å; F189-L193 HydrophobicContact CE2-CD2 4.37Å; F189-L193 HydrophobicContact CE2-CG 4.41Å; F189-L193 HydrophobicContact CZ-CD1 3.9Å; F189-L193 HydrophobicContact CZ-CD2 4Å; F189-L193 HydrophobicContact CZ-CG 4.03Å; F189-L193 WeakPolarHBondContact O-CG 3.48Å; F189-L193 PolarHBondContact O-N 2.79Å; L190-L193 HydrophobicContact CD2-CD1 4.45Å; L190-L193 PolarHBondContact O-N 2.94Å; L193-N195 VanDerWaalsContact C-N 3.32Å; L193-N195 PolarHBondContact O-N 3.02Å; L193-C196 WeakPolarHBondContact O-CB 3.32Å; L193-C196 PolarHBondContact O-N 3.48Å; L193-L197 WeakPolarHBondContact O-CG 3.35Å; L193-L197 PolarHBondContact O-N 3.22Å
194Q85Confident82.9Confident24 Ų2470.4 Ų70.411%0.11237%0.371CS..Hα-helixtrans-58.1-44.2174.2-75.5177-20.200111.4Q184 L190 G191 F192 C196 L197 S198 W205Q184-Q194 PolarHBondContact O-NE2 2.74Å; Q184-Q194 VanDerWaalsContact O-NE2 3.09Å; L190-Q194 VanDerWaalsContact O-CG 3.3Å; L190-Q194 WeakPolarHBondContact O-CG 3.48Å; L190-Q194 PolarHBondContact O-N 3.18Å; G191-Q194 PolarHBondContact O-N 3.16Å; F192-Q194 PolarHBondContact O-N 3.32Å; Q194-C196 PolarHBondContact O-N 3.5Å; Q194-L197 PolarHBondContact O-N 2.97Å; Q194-S198 PolarHBondContact O-N 3.12Å; Q194-S198 PolarHBondContact O-OG 2.92Å; Q194-W205 HydrophobicContact CB-CD2 4.42Å; Q194-W205 HydrophobicContact CB-CZ2 4.14Å; Q194-W205 HydrophobicContact CG-CD2 4.23Å; Q194-W205 HydrophobicContact CG-CE3 4.28Å; Q194-W205 HydrophobicContact CG-CH2 3.91Å; Q194-W205 HydrophobicContact CG-CZ2 3.84Å; Q194-W205 HydrophobicContact CG-CZ3 4.13Å
195N83.1Confident83.1Confident97 Ų9769.5 Ų69.552%0.51937%0.366SS..Hα-helixtrans-64.6-38.1177.7-72.2-22.4000112.5G191 F192 L193 S198 R199G191-N195 WeakPolarHBondContact O-CB 3.46Å; G191-N195 VanDerWaalsContact O-CG 3.23Å; G191-N195 PolarHBondContact O-N 3.13Å; G191-N195 PolarHBondContact O-ND2 3.01Å; F192-N195 WeakPolarHBondContact O-CB 3.39Å; F192-N195 PolarHBondContact O-N 3.36Å; L193-N195 VanDerWaalsContact C-N 3.32Å; L193-N195 PolarHBondContact O-N 3.02Å; N195-S198 PolarHBondContact O-N 3.26Å; N195-R199 WeakPolarHBondContact O-CG 3.49Å; N195-R199 PolarHBondContact O-N 3.05Å
196C78.9Confident83.2Confident44 Ų4465.3 Ų65.330%0.29735%0.347SS..Hα-helixtrans-62.3-44.5173.3-72.60000111.8F192 L193 Q194 R199F192-C196 PolarHBondContact O-N 2.66Å; F192-C196 PolarHBondContact O-SG 2.93Å; L193-C196 WeakPolarHBondContact O-CB 3.32Å; L193-C196 PolarHBondContact O-N 3.48Å; Q194-C196 PolarHBondContact O-N 3.5Å; C196-R199 PolarHBondContact O-N 3.1Å
197L80.2Confident83.2Confident52 Ų5265.5 Ų65.527%0.27235%0.348SS..Hα-helixtrans-63.1-44.5176.3-69.1171.9000111.6L193 Q194 R199 L200 E201 H203L193-L197 WeakPolarHBondContact O-CG 3.35Å; L193-L197 PolarHBondContact O-N 3.22Å; Q194-L197 PolarHBondContact O-N 2.97Å; L197-R199 PolarHBondContact O-N 3.11Å; L197-R199 VanDerWaalsContact O-N 3.1Å; L197-L200 WeakPolarHBondContact O-CB 3.3Å; L197-L200 PolarHBondContact O-N 3.01Å; L197-E201 PolarHBondContact O-N 3.19Å; L197-H203 PolarHBondContact O-CD2 2.92Å
198S83.9Confident83.1Confident42 Ų4271.9 Ų71.929%0.29436%0.356SS..Hα-helixtrans-61.5-18.6178.8-58.60000114.5Q194 N195 L200 E201 W205Q194-S198 PolarHBondContact O-N 3.12Å; Q194-S198 PolarHBondContact O-OG 2.92Å; N195-S198 PolarHBondContact O-N 3.26Å; S198-L200 VanDerWaalsContact C-N 3.35Å; S198-E201 CarbonylContact C-O 3.55Å; S198-E201 WeakPolarHBondContact CA-O 3.45Å; S198-E201 VanDerWaalsContact O-O 3.12Å; S198-W205 VanDerWaalsContact OG-CD1 3.25Å; S198-W205 PolarHBondContact OG-NE1 3.3Å
199R76.9Confident82.8Confident202 Ų20273.7 Ų73.776%0.76235%0.351SS*.THydrogen-bonded Turntrans-78.3-22.9173.9-70.5170.4-176.5-176.51.1112.7N195 C196 L197N195-R199 WeakPolarHBondContact O-CG 3.49Å; N195-R199 PolarHBondContact O-N 3.05Å; C196-R199 PolarHBondContact O-N 3.1Å; L197-R199 PolarHBondContact O-N 3.11Å; L197-R199 VanDerWaalsContact O-N 3.1Å
200L75.8Confident82.7Confident85 Ų8569.1 Ų69.145%0.44533%0.332SS..THydrogen-bonded Turntrans-87.9-42-179.3-61.8175.2000110.9L197 S198L197-L200 WeakPolarHBondContact O-CB 3.3Å; L197-L200 PolarHBondContact O-N 3.01Å; S198-L200 VanDerWaalsContact C-N 3.35Å
201E83.2Confident82.4Confident34 Ų3470 Ų7016%0.15934%0.336CS..SBendtrans-144.6158.1-174.7-60.3-63.3170.400111.3R127 L197 S198 H203 L231R127-E201 WeakPolarHBondContact CG-OE1 3.46Å; L197-E201 PolarHBondContact O-N 3.19Å; S198-E201 CarbonylContact C-O 3.55Å; S198-E201 WeakPolarHBondContact CA-O 3.45Å; S198-E201 VanDerWaalsContact O-O 3.12Å; E201-H203 PolarHBondContact O-CD2 3.22Å; E201-H203 PolarHBondContact O-N 3.14Å; E201-L231 HydrophobicContact CB-CD1 3.92Å; E201-L231 VanDerWaalsContact CD-CD1 3.47Å; E201-L231 HydrophobicContact CG-CD1 3.61Å; E201-L231 WeakPolarHBondContact OE2-CD1 3.41Å
202S86.1Confident82Confident62 Ų6274.2 Ų74.243%0.43436%0.364SS..  trans-74.763.3-177.6-54.50000112.9H224S202-H224 PolarHBondContact O-CE1 3.13Å; S202-H224 VanDerWaalsContact O-CE1 3.23Å
203H91.1Very high82Confident18 Ų1872 Ų728%0.08336%0.358CS..  trans-67.6146173.4-65.1-70.3000111.6Y179 L181 L197 E201 W205Y179-H203 PolarHBondContact O-CE1 3.43Å; L181-H203 WeakPolarHBondContact CB-ND1 3.36Å; L181-H203 PolarHBondContact N-ND1 3.41Å; L197-H203 PolarHBondContact O-CD2 2.92Å; E201-H203 PolarHBondContact O-CD2 3.22Å; E201-H203 PolarHBondContact O-N 3.14Å; H203-W205 HydrophobicContact CB-CZ2 3.98Å
204I90.5Very high82.2Confident17 Ų1776.8 Ų76.89%0.08738%0.376CS..EExtended strand (participates in β ladder)trans-109.2110.7-177.8-52.8174000109L181 V182 G183 F206 L221 H224 I233L181-I204 PolarHBondContact O-N 2.98Å; V182-I204 WeakPolarHBondContact CA-O 3.29Å; V182-I204 HydrophobicContact CG2-CB 4.33Å; V182-I204 HydrophobicContact CG2-CD1 4.42Å; G183-I204 PolarHBondContact N-O 2.64Å; G183-I204 VanDerWaalsContact N-O 3.09Å; I204-F206 HydrophobicContact CG2-CD2 4.12Å; I204-F206 HydrophobicContact CG2-CE1 4.27Å; I204-F206 HydrophobicContact CG2-CE2 3.45Å; I204-F206 VanDerWaalsContact CG2-CE2 3.45Å; I204-F206 HydrophobicContact CG2-CZ 3.54Å; I204-L221 HydrophobicContact CD1-CD2 3.88Å; I204-H224 HydrophobicContact CD1-CB 3.82Å; I204-I233 HydrophobicContact CD1-CD1 4.21Å
205W90Very high82.3Confident41 Ų4181.9 Ų81.916%0.15540%0.403CS..EExtended strand (participates in β ladder)trans-113.6120.2177.8-51.8106.3000111L181 G183 K185 Q194 S198 H203L181-W205 HydrophobicContact CB-CH2 4.34Å; G183-W205 CarbonylContact O-C 3.46Å; G183-W205 WeakPolarHBondContact O-CA 3.22Å; K185-W205 HydrophobicContact CD-CB 4.45Å; K185-W205 WeakPolarHBondContact CE-O 3.42Å; K185-W205 HydrophobicContact CG-CB 3.47Å; K185-W205 VanDerWaalsContact CG-CB 3.47Å; Q194-W205 HydrophobicContact CB-CD2 4.42Å; Q194-W205 HydrophobicContact CB-CZ2 4.14Å; Q194-W205 HydrophobicContact CG-CD2 4.23Å; Q194-W205 HydrophobicContact CG-CE3 4.28Å; Q194-W205 HydrophobicContact CG-CH2 3.91Å; Q194-W205 HydrophobicContact CG-CZ2 3.84Å; Q194-W205 HydrophobicContact CG-CZ3 4.13Å; S198-W205 VanDerWaalsContact OG-CD1 3.25Å; S198-W205 PolarHBondContact OG-NE1 3.3Å; H203-W205 HydrophobicContact CB-CZ2 3.98Å
206F88.1Confident82.5Confident6 Ų678.5 Ų78.53%0.02639%0.389CS..EExtended strand (participates in β ladder)trans-97.1143.7179-66-79.5000111.8V182 G183 Q184 K185 I204 E210 I211 V217 R220V182-F206 HydrophobicContact CG1-CD2 4.01Å; V182-F206 HydrophobicContact CG1-CE2 3.67Å; G183-F206 PolarHBondContact O-N 3.35Å; Q184-F206 CarbonylContact C-O 3.52Å; Q184-F206 WeakPolarHBondContact CA-O 3.35Å; K185-F206 PolarHBondContact N-O 3.14Å; I204-F206 HydrophobicContact CG2-CD2 4.12Å; I204-F206 HydrophobicContact CG2-CE1 4.27Å; I204-F206 HydrophobicContact CG2-CE2 3.45Å; I204-F206 VanDerWaalsContact CG2-CE2 3.45Å; I204-F206 HydrophobicContact CG2-CZ 3.54Å; F206-E210 HydrophobicContact CD1-CB 4.34Å; F206-I211 HydrophobicContact CB-CD1 4.13Å; F206-I211 HydrophobicContact CB-CG1 3.54Å; F206-I211 HydrophobicContact CG-CG1 4.41Å; F206-V217 HydrophobicContact CD1-CG2 3.92Å; F206-V217 HydrophobicContact CE1-CB 4.11Å; F206-V217 HydrophobicContact CE1-CG1 4.29Å; F206-V217 HydrophobicContact CE1-CG2 3.78Å; F206-V217 HydrophobicContact CE2-CG1 4.11Å; F206-V217 HydrophobicContact CG-CG2 4.39Å; F206-V217 HydrophobicContact CZ-CB 4.14Å; F206-V217 HydrophobicContact CZ-CG1 3.82Å; F206-V217 HydrophobicContact CZ-CG2 4.15Å; F206-R220 HydrophobicContact CE1-CB 4.26Å; F206-R220 HydrophobicContact CE1-CG 4.45Å; F206-R220 HydrophobicContact CZ-CB 4.22Å
207E84.7Confident82.9Confident84 Ų8477.9 Ų77.939%0.39338%0.383SS..  trans-76.6156.3169-71.1174.6-157.700111K185 E209 E210 I211K185-E207 HydrophobicContact CD-CG 3.77Å; K185-E207 HydrophobicContact CG-CG 4.49Å; K185-E207 IonicContact NZ-OE1 2.87Å; K185-E207 PolarHBondContact NZ-OE1 3.13Å; E207-E209 PolarHBondContact O-N 3.31Å; E207-E210 HydrophobicContact CB-CB 4.47Å; E207-E210 HydrophobicContact CB-CG 4.12Å; E207-E210 PolarHBondContact N-OE2 2.92Å; E207-E210 PolarHBondContact O-N 3.1Å; E207-E210 VanDerWaalsContact O-N 3.12Å; E207-I211 WeakPolarHBondContact O-CG1 2.91Å; E207-I211 PolarHBondContact O-N 2.68Å
208R78.9Confident83.4Confident186 Ų18680.5 Ų80.570%0.70239%0.39SS*.THydrogen-bonded Turntrans-56.3-35.4-177.8-73.7-176.9-175.8-174.62112.2Q184Q184-R208 VanDerWaalsContact CD-CG 3.49Å; Q184-R208 HydrophobicContact CG-CG 4.12Å; Q184-R208 VanDerWaalsContact NE2-CG 3.26Å
209E78.3Confident83.7Confident157 Ų15784.7 Ų84.773%0.73440%0.403SS*.THydrogen-bonded Turntrans-71.9-44.9177.9-66.1167-164.600111.4E207 I211 S212E207-E209 PolarHBondContact O-N 3.31Å; E209-I211 VanDerWaalsContact C-N 3.3Å; E209-I211 PolarHBondContact O-N 3.4Å; E209-S212 WeakPolarHBondContact O-CB 3.4Å; E209-S212 PolarHBondContact O-N 3.47Å; E209-S212 VanDerWaalsContact O-N 3.08Å; E209-S212 PolarHBondContact O-OG 3.48Å
210E74.9Confident84.4Confident44 Ų4479.5 Ų79.521%0.20638%0.383CS..G310 helixtrans-63.1-33.2177.5-65.5-178.8152.200113F206 E207 S212 D213 R220F206-E210 HydrophobicContact CD1-CB 4.34Å; E207-E210 HydrophobicContact CB-CB 4.47Å; E207-E210 HydrophobicContact CB-CG 4.12Å; E207-E210 PolarHBondContact N-OE2 2.92Å; E207-E210 PolarHBondContact O-N 3.1Å; E207-E210 VanDerWaalsContact O-N 3.12Å; E210-S212 PolarHBondContact O-N 3.17Å; E210-D213 CarbonylContact O-C 3.34Å; E210-D213 WeakPolarHBondContact O-CA 3.47Å; E210-D213 PolarHBondContact O-N 3.4Å; E210-R220 VanDerWaalsContact CD-NH1 3.31Å; E210-R220 IonicContact OE1-CZ 3.64Å; E210-R220 IonicContact OE1-NH1 3.69Å; E210-R220 PolarHBondContact OE1-NH1 3.14Å; E210-R220 IonicContact OE1-NH2 3.62Å; E210-R220 PolarHBondContact OE1-NH2 2.82Å; E210-R220 IonicContact OE2-CZ 3.94Å; E210-R220 IonicContact OE2-NH1 2.8Å; E210-R220 PolarHBondContact OE2-NH1 2.98Å; E210-R220 IonicContact OE2-NH2 3.16Å
211I73.4Confident85.2Confident76 Ų7675.8 Ų75.839%0.3936%0.363SS..G310 helixtrans-60.7-27.9176.7-68.5169.3000111.4Q184 F206 E207 E209 D213Q184-I211 HydrophobicContact CB-CD1 3.77Å; Q184-I211 HydrophobicContact CG-CD1 3.58Å; F206-I211 HydrophobicContact CB-CD1 4.13Å; F206-I211 HydrophobicContact CB-CG1 3.54Å; F206-I211 HydrophobicContact CG-CG1 4.41Å; E207-I211 WeakPolarHBondContact O-CG1 2.91Å; E207-I211 PolarHBondContact O-N 2.68Å; E209-I211 VanDerWaalsContact C-N 3.3Å; E209-I211 PolarHBondContact O-N 3.4Å; I211-D213 VanDerWaalsContact C-N 3.33Å
212S75.7Confident85.6Confident97 Ų9776.6 Ų76.668%0.67837%0.369SS*.G310 helixtrans-72.6-28.4175.777.90000112.4E209 E210 K214E209-S212 WeakPolarHBondContact O-CB 3.4Å; E209-S212 PolarHBondContact O-N 3.47Å; E209-S212 VanDerWaalsContact O-N 3.08Å; E209-S212 PolarHBondContact O-OG 3.48Å; E210-S212 PolarHBondContact O-N 3.17Å; S212-K214 PolarHBondContact O-N 3.25Å
213D83.1Confident85.9Confident76 Ų7678.1 Ų78.141%0.40637%0.369SS..  trans-84.893.9174.5-173.9-4.6000111.3E210 I211 L215 A216 V217E210-D213 CarbonylContact O-C 3.34Å; E210-D213 WeakPolarHBondContact O-CA 3.47Å; E210-D213 PolarHBondContact O-N 3.4Å; I211-D213 VanDerWaalsContact C-N 3.33Å; D213-L215 PolarHBondContact O-N 3.24Å; D213-L215 WeakPolarHBondContact OD1-CB 3.38Å; D213-L215 PolarHBondContact OD1-N 3.12Å; D213-A216 HydrophobicContact CB-CB 4Å; D213-A216 PolarHBondContact O-N 3.11Å; D213-A216 PolarHBondContact OD1-N 3.5Å; D213-A216 WeakPolarHBondContact OD2-CB 3.4Å; D213-V217 WeakPolarHBondContact O-CG2 3.48Å; D213-V217 PolarHBondContact O-N 3.31Å; D213-V217 VanDerWaalsContact O-N 3.11Å
214K84.2Confident86.1Confident169 Ų16977.7 Ų77.774%0.73537%0.367SS*.Hα-helixtrans-59.5-31.3177.7-63.8178.7-175.6169.60113.2S212 R218S212-K214 PolarHBondContact O-N 3.25Å; K214-R218 VanDerWaalsContact O-CB 3.24Å; K214-R218 WeakPolarHBondContact O-CB 3.44Å; K214-R218 PolarHBondContact O-N 3.22Å
215L87.3Confident86.2Confident130 Ų13077.8 Ų77.868%0.68137%0.368SS*.Hα-helixtrans-73.2-43.2-178.6-67.6176.4000110.5D213 R218 K219D213-L215 PolarHBondContact O-N 3.24Å; D213-L215 WeakPolarHBondContact OD1-CB 3.38Å; D213-L215 PolarHBondContact OD1-N 3.12Å; L215-R218 PolarHBondContact O-N 2.77Å; L215-K219 WeakPolarHBondContact O-CB 3.47Å; L215-K219 PolarHBondContact O-N 2.92Å
216A87.1Confident86.2Confident27 Ų2782.7 Ų82.722%0.22339%0.393CS..Hα-helixtrans-61.3-45.5174.800000112D213 R218 K219 R220D213-A216 HydrophobicContact CB-CB 4Å; D213-A216 PolarHBondContact O-N 3.11Å; D213-A216 PolarHBondContact OD1-N 3.5Å; D213-A216 WeakPolarHBondContact OD2-CB 3.4Å; A216-R218 PolarHBondContact O-N 3.35Å; A216-K219 PolarHBondContact O-N 3.35Å; A216-R220 PolarHBondContact O-N 2.91Å; A216-R220 VanDerWaalsContact O-N 3.12Å
217V88.4Confident86.4Confident31 Ų3185 Ų8519%0.18841%0.406CS..Hα-helixtrans-59.5-48.4176174.50000110.8F206 D213 K219 R220 L221F206-V217 HydrophobicContact CD1-CG2 3.92Å; F206-V217 HydrophobicContact CE1-CB 4.11Å; F206-V217 HydrophobicContact CE1-CG1 4.29Å; F206-V217 HydrophobicContact CE1-CG2 3.78Å; F206-V217 HydrophobicContact CE2-CG1 4.11Å; F206-V217 HydrophobicContact CG-CG2 4.39Å; F206-V217 HydrophobicContact CZ-CB 4.14Å; F206-V217 HydrophobicContact CZ-CG1 3.82Å; F206-V217 HydrophobicContact CZ-CG2 4.15Å; D213-V217 WeakPolarHBondContact O-CG2 3.48Å; D213-V217 PolarHBondContact O-N 3.31Å; D213-V217 VanDerWaalsContact O-N 3.11Å; V217-K219 PolarHBondContact O-N 2.99Å; V217-R220 PolarHBondContact O-N 3.39Å; V217-L221 HydrophobicContact CG1-CD1 3.93Å; V217-L221 VanDerWaalsContact O-CG 3.29Å; V217-L221 WeakPolarHBondContact O-CG 3.36Å; V217-L221 PolarHBondContact O-N 3.45Å; V217-L221 VanDerWaalsContact O-N 3.13Å
218R89.5Confident86.5Confident107 Ų10789.1 Ų89.140%0.40442%0.422SS..Hα-helixtrans-59.8-46.9179.1-178.8-179.7178.3-170.9-2.5111.8K214 L215 A216 L221 L222 V257K214-R218 VanDerWaalsContact O-CB 3.24Å; K214-R218 WeakPolarHBondContact O-CB 3.44Å; K214-R218 PolarHBondContact O-N 3.22Å; L215-R218 PolarHBondContact O-N 2.77Å; A216-R218 PolarHBondContact O-N 3.35Å; R218-L221 PolarHBondContact O-N 3Å; R218-L222 HydrophobicContact CG-CD1 4.03Å; R218-L222 HydrophobicContact CG-CG 4.46Å; R218-L222 WeakPolarHBondContact O-CG 3.37Å; R218-L222 PolarHBondContact O-N 2.92Å; R218-V257 HydrophobicContact CG-CG2 4.07Å
219K91Very high87Confident130 Ų13086.2 Ų86.257%0.56542%0.421SS*.Hα-helixtrans-59-49-179-179.1176.9172.2179.40111.6L215 A216 V217 L221 L222 E223L215-K219 WeakPolarHBondContact O-CB 3.47Å; L215-K219 PolarHBondContact O-N 2.92Å; A216-K219 PolarHBondContact O-N 3.35Å; V217-K219 PolarHBondContact O-N 2.99Å; K219-L221 VanDerWaalsContact C-N 3.33Å; K219-L221 PolarHBondContact O-N 3.26Å; K219-L222 WeakPolarHBondContact O-CB 3.2Å; K219-L222 PolarHBondContact O-N 3.08Å; K219-E223 WeakPolarHBondContact CE-OE1 3.35Å; K219-E223 WeakPolarHBondContact CG-OE1 3.07Å; K219-E223 WeakPolarHBondContact O-CG 3.04Å; K219-E223 PolarHBondContact O-N 2.85Å
220R91.1Very high87.6Confident92 Ų9281.3 Ų81.335%0.34740%0.397SS..Hα-helixtrans-63.3-38.1178.7-71.8-166.8-173.1152.94113F206 E210 A216 V217 H224F206-R220 HydrophobicContact CE1-CB 4.26Å; F206-R220 HydrophobicContact CE1-CG 4.45Å; F206-R220 HydrophobicContact CZ-CB 4.22Å; E210-R220 VanDerWaalsContact CD-NH1 3.31Å; E210-R220 IonicContact OE1-CZ 3.64Å; E210-R220 IonicContact OE1-NH1 3.69Å; E210-R220 PolarHBondContact OE1-NH1 3.14Å; E210-R220 IonicContact OE1-NH2 3.62Å; E210-R220 PolarHBondContact OE1-NH2 2.82Å; E210-R220 IonicContact OE2-CZ 3.94Å; E210-R220 IonicContact OE2-NH1 2.8Å; E210-R220 PolarHBondContact OE2-NH1 2.98Å; E210-R220 IonicContact OE2-NH2 3.16Å; A216-R220 PolarHBondContact O-N 2.91Å; A216-R220 VanDerWaalsContact O-N 3.12Å; V217-R220 PolarHBondContact O-N 3.39Å; R220-H224 WeakPolarHBondContact O-CB 3.45Å; R220-H224 PolarHBondContact O-N 3.33Å; R220-H224 VanDerWaalsContact O-N 3.1Å
221L92.8Very high88.5Confident7 Ų779.5 Ų79.54%0.03739%0.389CS..Hα-helixtrans-67.3-39.1176.8-67.2174.2000111.3V182 I204 V217 R218 K219 H224 V225 I233 I235 V257V182-L221 HydrophobicContact CG2-CD2 3.92Å; I204-L221 HydrophobicContact CD1-CD2 3.88Å; V217-L221 HydrophobicContact CG1-CD1 3.93Å; V217-L221 VanDerWaalsContact O-CG 3.29Å; V217-L221 WeakPolarHBondContact O-CG 3.36Å; V217-L221 PolarHBondContact O-N 3.45Å; V217-L221 VanDerWaalsContact O-N 3.13Å; R218-L221 PolarHBondContact O-N 3Å; K219-L221 VanDerWaalsContact C-N 3.33Å; K219-L221 PolarHBondContact O-N 3.26Å; L221-H224 PolarHBondContact O-N 3.1Å; L221-V225 WeakPolarHBondContact O-CB 3.28Å; L221-V225 VanDerWaalsContact O-CG2 3.26Å; L221-V225 WeakPolarHBondContact O-CG2 3.42Å; L221-V225 PolarHBondContact O-N 2.86Å; L221-I233 HydrophobicContact CD2-CD1 3.88Å; L221-I233 HydrophobicContact CD2-CG2 4.42Å; L221-I235 HydrophobicContact CD1-CD1 4.43Å; L221-I235 HydrophobicContact CD2-CD1 4.45Å; L221-V257 HydrophobicContact CB-CB 4.31Å; L221-V257 HydrophobicContact CB-CG1 3.62Å; L221-V257 HydrophobicContact CB-CG2 3.79Å; L221-V257 HydrophobicContact CD1-CG2 3.96Å
222L92Very high89.6Confident51 Ų5176 Ų7627%0.26737%0.37SS..Hα-helixtrans-61.8-52.2175-77.5170.5000111.1R218 K219 H224 V225 E226 V257R218-L222 HydrophobicContact CG-CD1 4.03Å; R218-L222 HydrophobicContact CG-CG 4.46Å; R218-L222 WeakPolarHBondContact O-CG 3.37Å; R218-L222 PolarHBondContact O-N 2.92Å; K219-L222 WeakPolarHBondContact O-CB 3.2Å; K219-L222 PolarHBondContact O-N 3.08Å; L222-H224 PolarHBondContact O-N 3.48Å; L222-V225 PolarHBondContact O-N 2.83Å; L222-E226 WeakPolarHBondContact O-CG 3.3Å; L222-E226 PolarHBondContact O-N 2.96Å; L222-V257 HydrophobicContact CB-CG1 4.41Å; L222-V257 HydrophobicContact CD2-CB 4.38Å; L222-V257 HydrophobicContact CD2-CG1 3.75Å; L222-V257 WeakPolarHBondContact CD2-O 3.28Å; L222-V257 HydrophobicContact CG-CG1 3.84Å
223E93.1Very high90.5Very high94 Ų9471.3 Ų71.344%0.43934%0.338SS..Hα-helixtrans-58.7-30.3178.7-70.8170.317800112.9K219 K230K219-E223 WeakPolarHBondContact CE-OE1 3.35Å; K219-E223 WeakPolarHBondContact CG-OE1 3.07Å; K219-E223 WeakPolarHBondContact O-CG 3.04Å; K219-E223 PolarHBondContact O-N 2.85Å; E223-K230 PolarHBondContact O-NZ 2.78Å
224H94Very high91.2Very high10 Ų1067.9 Ų67.95%0.04632%0.32CS..Hα-helixtrans-76.3-42174.6-173.7108.3000112.4A180 S202 I204 R220 L221 L222 D227 K230 L231 I233A180-H224 VanDerWaalsContact CB-CE1 3.43Å; A180-H224 WeakPolarHBondContact CB-CE1 3.24Å; A180-H224 WeakPolarHBondContact CB-NE2 3.33Å; S202-H224 PolarHBondContact O-CE1 3.13Å; S202-H224 VanDerWaalsContact O-CE1 3.23Å; I204-H224 HydrophobicContact CD1-CB 3.82Å; R220-H224 WeakPolarHBondContact O-CB 3.45Å; R220-H224 PolarHBondContact O-N 3.33Å; R220-H224 VanDerWaalsContact O-N 3.1Å; L221-H224 PolarHBondContact O-N 3.1Å; L222-H224 PolarHBondContact O-N 3.48Å; H224-D227 PolarHBondContact O-N 3Å; H224-K230 HydrophobicContact CB-CD 4.41Å; H224-K230 WeakPolarHBondContact ND1-CD 3.49Å; H224-L231 PolarHBondContact NE2-O 3.4Å; H224-I233 HydrophobicContact CB-CD1 4.01Å; H224-I233 VanDerWaalsContact CD2-CD1 3.49Å; H224-I233 WeakPolarHBondContact CD2-CD1 3.43Å; H224-I233 WeakPolarHBondContact CD2-CG1 3.48Å
225V92.1Very high91.7Very high18 Ų1860.6 Ų60.611%0.10929%0.288CS..Hα-helixtrans-68.9-33.5179.6168.10000112G157 I159 L221 L222 D227 I233 V257 C258G157-V225 VanDerWaalsContact CA-O 3.26Å; G157-V225 WeakPolarHBondContact CA-O 2.97Å; G157-V225 WeakPolarHBondContact O-CG1 3.49Å; I159-V225 HydrophobicContact CD1-CG2 4.21Å; I159-V225 HydrophobicContact CG1-CG2 3.95Å; L221-V225 WeakPolarHBondContact O-CB 3.28Å; L221-V225 VanDerWaalsContact O-CG2 3.26Å; L221-V225 WeakPolarHBondContact O-CG2 3.42Å; L221-V225 PolarHBondContact O-N 2.86Å; L222-V225 PolarHBondContact O-N 2.83Å; V225-D227 VanDerWaalsContact C-N 3.26Å; V225-D227 PolarHBondContact O-N 2.86Å; V225-I233 HydrophobicContact CG2-CD1 3.64Å; V225-I233 HydrophobicContact CG2-CG1 4.32Å; V225-V257 HydrophobicContact CG2-CG1 4.32Å; V225-C258 HydrophobicContact CG1-CB 4.3Å
226E91.8Very high92.1Very high144 Ų14456 Ų5667%0.67326%0.263SS*.Hα-helixtrans-68.3-26.8177.6-73.6172.7179.100112.7L222 K228L222-E226 WeakPolarHBondContact O-CG 3.3Å; L222-E226 PolarHBondContact O-N 2.96Å; E226-K228 PolarHBondContact O-N 3.44Å
227D91.8Very high92.4Very high56 Ų5654.9 Ų54.930%0.29925%0.254SS..  trans-83.4101.5177.9-172.7-16.1000111.4H224 V225 D229 K230H224-D227 PolarHBondContact O-N 3Å; V225-D227 VanDerWaalsContact C-N 3.26Å; V225-D227 PolarHBondContact O-N 2.86Å; D227-D229 PolarHBondContact O-N 2.83Å; D227-D229 WeakPolarHBondContact OD1-CB 3.34Å; D227-D229 PolarHBondContact OD1-N 3.1Å; D227-K230 HydrophobicContact CB-CD 3.84Å; D227-K230 HydrophobicContact CB-CG 3.99Å; D227-K230 PolarHBondContact O-N 3.36Å; D227-K230 VanDerWaalsContact O-N 3.14Å; D227-K230 WeakPolarHBondContact OD2-CE 3.37Å; D227-K230 IonicContact OD2-NZ 3.34Å; D227-K230 PolarHBondContact OD2-NZ 2.73Å; D227-K230 VanDerWaalsContact OD2-NZ 3.14Å
228K87.5Confident92.6Very high169 Ų16953.5 Ų53.574%0.73525%0.245SC*.THydrogen-bonded Turntrans-68.5-12.8-178.9-64.7-176.9-179.2175.50114.1P156 E226 K230P156-K228 VanDerWaalsContact CB-O 3.32Å; P156-K228 WeakPolarHBondContact CB-O 3.41Å; E226-K228 PolarHBondContact O-N 3.44Å; K228-K230 VanDerWaalsContact C-N 3.34Å
229D88.7Confident92.5Very high126 Ų12651 Ų5167%0.67425%0.253SS*.THydrogen-bonded Turntrans-82.7-15.2175.1-72.5-30.7000112.4D227D227-D229 PolarHBondContact O-N 2.83Å; D227-D229 WeakPolarHBondContact OD1-CB 3.34Å; D227-D229 PolarHBondContact OD1-N 3.1Å
230K91.3Very high92.4Very high53 Ų5345.5 Ų45.523%0.2323%0.23CC..SBendtrans-84.2154.4178.5-65.6-179-171.7136.70112.1P156 E223 H224 D227 K228P156-K230 WeakPolarHBondContact CB-O 3.13Å; E223-K230 PolarHBondContact O-NZ 2.78Å; H224-K230 HydrophobicContact CB-CD 4.41Å; H224-K230 WeakPolarHBondContact ND1-CD 3.49Å; D227-K230 HydrophobicContact CB-CD 3.84Å; D227-K230 HydrophobicContact CB-CG 3.99Å; D227-K230 PolarHBondContact O-N 3.36Å; D227-K230 VanDerWaalsContact O-N 3.14Å; D227-K230 WeakPolarHBondContact OD2-CE 3.37Å; D227-K230 IonicContact OD2-NZ 3.34Å; D227-K230 PolarHBondContact OD2-NZ 2.73Å; D227-K230 VanDerWaalsContact OD2-NZ 3.14Å; K228-K230 VanDerWaalsContact C-N 3.34Å
231L93.1Very high92.4Very high7 Ų741.8 Ų41.84%0.03722%0.218CC..PPolyproline II helixtrans-64.8151.3176.1-65.9179.9000111.9R127 C178 A180 E201 H224 I233R127-L231 VanDerWaalsContact CZ-CD2 3.41Å; C178-L231 HydrophobicContact CB-CD1 3.68Å; C178-L231 HydrophobicContact CB-CD2 3.8Å; C178-L231 HydrophobicContact CB-CG 4.39Å; A180-L231 HydrophobicContact CB-CB 4.24Å; E201-L231 HydrophobicContact CB-CD1 3.92Å; E201-L231 VanDerWaalsContact CD-CD1 3.47Å; E201-L231 HydrophobicContact CG-CD1 3.61Å; E201-L231 WeakPolarHBondContact OE2-CD1 3.41Å; H224-L231 PolarHBondContact NE2-O 3.4Å; L231-I233 PolarHBondContact O-N 2.55Å
232P95.3Very high92.4Very high1 Ų141.5 Ų41.51%0.00622%0.216CC..PPolyproline II helixtrans-54.7141169.623.4-33.3000110.8A154 K155 G158 Y179 A180A154-P232 HydrophobicContact CB-CB 3.78Å; A154-P232 HydrophobicContact CB-CG 4.13Å; K155-P232 WeakPolarHBondContact O-CB 3.35Å; G158-P232 WeakPolarHBondContact O-CA 3.12Å; Y179-P232 WeakPolarHBondContact CA-O 3.12Å; Y179-P232 HydrophobicContact CD1-CB 4.33Å; Y179-P232 HydrophobicContact CD1-CG 3.95Å; Y179-P232 HydrophobicContact CE1-CG 4.27Å; A180-P232 PolarHBondContact N-O 2.86Å
233I95.9Very high92.3Very high0 Ų039.5 Ų39.50%021%0.206CC..EExtended strand (participates in β ladder)trans-78.3134.2178.8-54-174.1000108.9G158 I159 C160 A180 V182 I204 L221 H224 V225 L231 I235G158-I233 PolarHBondContact O-N 2.92Å; G158-I233 VanDerWaalsContact O-N 3.1Å; I159-I233 CarbonylContact C-O 3.55Å; I159-I233 WeakPolarHBondContact CA-O 3.18Å; I159-I233 HydrophobicContact CG1-CB 4.31Å; C160-I233 WeakPolarHBondContact CB-O 3.37Å; C160-I233 PolarHBondContact N-O 3.12Å; A180-I233 WeakPolarHBondContact O-CA 3.49Å; V182-I233 HydrophobicContact CG2-CG2 3.24Å; I204-I233 HydrophobicContact CD1-CD1 4.21Å; L221-I233 HydrophobicContact CD2-CD1 3.88Å; L221-I233 HydrophobicContact CD2-CG2 4.42Å; H224-I233 HydrophobicContact CB-CD1 4.01Å; H224-I233 VanDerWaalsContact CD2-CD1 3.49Å; H224-I233 WeakPolarHBondContact CD2-CD1 3.43Å; H224-I233 WeakPolarHBondContact CD2-CG1 3.48Å; V225-I233 HydrophobicContact CG2-CD1 3.64Å; V225-I233 HydrophobicContact CG2-CG1 4.32Å; L231-I233 PolarHBondContact O-N 2.55Å; I233-I235 HydrophobicContact CG2-CD1 3.93Å; I233-I235 HydrophobicContact CG2-CG1 3.64Å
234L96.5Very high92.4Very high3 Ų335.5 Ų35.52%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-102.2121.7169.4176.360.7000110.2C160 A170 L173 Y179 A180 L181 F236C160-L234 HydrophobicContact CB-CD1 3.98Å; A170-L234 HydrophobicContact CB-CD2 4.25Å; L173-L234 HydrophobicContact CB-CD2 4.27Å; L173-L234 HydrophobicContact CD1-CD1 3.54Å; L173-L234 HydrophobicContact CD1-CD2 3.92Å; L173-L234 HydrophobicContact CD1-CG 4.4Å; Y179-L234 HydrophobicContact CD1-CB 3.91Å; Y179-L234 HydrophobicContact CD2-CD2 4.46Å; Y179-L234 HydrophobicContact CG-CB 3.91Å; Y179-L234 HydrophobicContact CG-CD2 4.34Å; A180-L234 PolarHBondContact O-N 3.49Å; L181-L234 HydrophobicContact CD2-CB 4.28Å; L181-L234 HydrophobicContact CD2-CD2 3.87Å; L181-L234 HydrophobicContact CD2-CG 4.49Å; L234-F236 HydrophobicContact CD1-CZ 4.21Å; L234-F236 HydrophobicContact CD2-CE2 4.04Å; L234-F236 HydrophobicContact CD2-CZ 3.9Å; L234-F236 HydrophobicContact CG-CE2 4.02Å; L234-F236 HydrophobicContact CG-CZ 4.08Å
235I95.5Very high92.3Very high16 Ų1637 Ų378%0.08220%0.198CC..EExtended strand (participates in β ladder)trans-128.7140.1179.3-55.6-175.4000110.5I159 C160 V161 A162 V182 L221 I233 P237 S254I159-I235 HydrophobicContact CD1-CD1 4.39Å; I159-I235 HydrophobicContact CG2-CB 4.24Å; I159-I235 HydrophobicContact CG2-CD1 3.78Å; I159-I235 HydrophobicContact CG2-CG1 3.9Å; C160-I235 PolarHBondContact O-N 2.81Å; V161-I235 WeakPolarHBondContact CA-O 3.34Å; A162-I235 PolarHBondContact N-O 3.23Å; V182-I235 HydrophobicContact CG2-CD1 4.5Å; V182-I235 HydrophobicContact CG2-CG1 4.16Å; L221-I235 HydrophobicContact CD1-CD1 4.43Å; L221-I235 HydrophobicContact CD2-CD1 4.45Å; I233-I235 HydrophobicContact CG2-CD1 3.93Å; I233-I235 HydrophobicContact CG2-CG1 3.64Å; I235-P237 VanDerWaalsContact O-CD 3.29Å; I235-P237 WeakPolarHBondContact O-CD 3.49Å; I235-S254 WeakPolarHBondContact CG2-OG 3.3Å
236F95.8Very high92.3Very high35 Ų3536.2 Ų36.215%0.15419%0.193CC..  trans-108.186.7171.9-64.2-73.1000109.3A162 H164 D169 A170 L234 E238 G239A162-F236 HydrophobicContact CB-CD1 4.16Å; A162-F236 HydrophobicContact CB-CE1 3.88Å; H164-F236 HydrophobicContact CB-CB 3.8Å; H164-F236 HydrophobicContact CB-CD1 3.83Å; H164-F236 HydrophobicContact CB-CG 4.05Å; H164-F236 AromaticContact CE1-CD2 3.94Å; H164-F236 AromaticContact CE1-CG 3.94Å; H164-F236 AromaticContact CG-CD1 3.76Å; H164-F236 AromaticContact CG-CG 3.66Å; H164-F236 AromaticContact ND1-CD1 3.49Å; H164-F236 WeakPolarHBondContact ND1-CD1 3.21Å; H164-F236 AromaticContact ND1-CD2 3.95Å; H164-F236 AromaticContact ND1-CE1 3.88Å; H164-F236 AromaticContact ND1-CG 3.53Å; D169-F236 HydrophobicContact CB-CE1 3.58Å; D169-F236 HydrophobicContact CB-CZ 3.61Å; A170-F236 HydrophobicContact CB-CE2 4.14Å; A170-F236 HydrophobicContact CB-CZ 4.31Å; L234-F236 HydrophobicContact CD1-CZ 4.21Å; L234-F236 HydrophobicContact CD2-CE2 4.04Å; L234-F236 HydrophobicContact CD2-CZ 3.9Å; L234-F236 HydrophobicContact CG-CE2 4.02Å; L234-F236 HydrophobicContact CG-CZ 4.08Å; F236-E238 PolarHBondContact O-N 2.99Å; F236-E238 VanDerWaalsContact O-N 3.12Å; F236-G239 PolarHBondContact O-N 3.03Å; F236-G239 VanDerWaalsContact O-N 3.16Å
237P94.3Very high92.5Very high3 Ų329.4 Ų29.42%0.01916%0.161CC..THydrogen-bonded Turntrans-72.3-5.1-167.730.6-37.9000114.1V161 I235 G239 F250 K251 F255V161-P237 HydrophobicContact CG1-CG 3.49Å; V161-P237 VanDerWaalsContact CG1-CG 3.49Å; I235-P237 VanDerWaalsContact O-CD 3.29Å; I235-P237 WeakPolarHBondContact O-CD 3.49Å; P237-G239 PolarHBondContact O-N 2.84Å; P237-F250 HydrophobicContact CB-CB 4.05Å; P237-F250 HydrophobicContact CB-CD1 4.31Å; P237-F250 HydrophobicContact CB-CD2 4.38Å; P237-F250 HydrophobicContact CB-CG 4.01Å; P237-F250 HydrophobicContact CG-CB 4.11Å; P237-F250 HydrophobicContact CG-CD1 3.69Å; P237-F250 HydrophobicContact CG-CD2 3.58Å; P237-F250 HydrophobicContact CG-CE1 3.87Å; P237-F250 HydrophobicContact CG-CE2 3.76Å; P237-F250 HydrophobicContact CG-CG 3.52Å; P237-F250 HydrophobicContact CG-CZ 3.9Å; P237-K251 WeakPolarHBondContact O-CB 3.48Å; P237-K251 VanDerWaalsContact O-CG 3.22Å; P237-K251 WeakPolarHBondContact O-CG 3.36Å; P237-K251 PolarHBondContact O-N 2.96Å; P237-F255 HydrophobicContact CB-CE2 3.89Å; P237-F255 HydrophobicContact CG-CE2 4.09Å; P237-F255 HydrophobicContact CG-CZ 4.32Å
238E91.6Very high92.5Very high1 Ų126.7 Ų26.71%0.00515%0.147CC..THydrogen-bonded Turntrans-60.3-28.6168.3-64.3-173.3-140.300111.7N163 H164 F236 T240 V242 M248 F250N163-E238 WeakPolarHBondContact CA-OE1 2.9Å; N163-E238 WeakPolarHBondContact CB-OE1 3.47Å; H164-E238 PolarHBondContact N-OE1 3.08Å; F236-E238 PolarHBondContact O-N 2.99Å; F236-E238 VanDerWaalsContact O-N 3.12Å; E238-T240 PolarHBondContact O-N 2.64Å; E238-V242 WeakPolarHBondContact OE2-CG2 3.33Å; E238-M248 HydrophobicContact CG-CB 4.3Å; E238-F250 HydrophobicContact CG-CD1 3.87Å; E238-F250 HydrophobicContact CG-CE1 3.64Å
239G86.9Confident92.8Very high55 Ų5522.4 Ų22.457%0.56713%0.13SC*.  trans70.52.9-179.100000114.6F236 P237F236-G239 PolarHBondContact O-N 3.03Å; F236-G239 VanDerWaalsContact O-N 3.16Å; P237-G239 PolarHBondContact O-N 2.84Å
240T88.5Confident93.2Very high15 Ų1516.9 Ų16.99%0.09210%0.1CC..SBendtrans-150.9160.8176.7-171.40000110F57 H164 E238 V242F57-T240 HydrophobicContact CE1-CG2 4.19Å; H164-T240 PolarHBondContact CD2-O 2.63Å; E238-T240 PolarHBondContact O-N 2.64Å; T240-V242 HydrophobicContact CG2-CG2 4Å
241C92Very high93.1Very high13 Ų1317.7 Ų17.79%0.08810%0.104CC..  trans-84.1136.2171.3-56.70000110.5H164 T165 F276 K342H164-C241 PolarHBondContact NE2-SG 3.24Å; T165-C241 WeakPolarHBondContact O-CB 3.26Å; C241-F276 HydrophobicContact CB-CE2 4.4Å; C241-F276 WeakPolarHBondContact O-CE2 3.45Å; C241-K342 PolarHBondContact O-NZ 2.83Å
242V91.8Very high93Very high1 Ų122.1 Ų22.11%0.00612%0.123CC..  trans-131.1151.5-177.2-175.40000110.1R56 F57 H164 T165 E238 T240 N244 M248 F276R56-V242 HydrophobicContact CB-CG1 3.86Å; F57-V242 HydrophobicContact CE1-CG2 4.31Å; H164-V242 PolarHBondContact O-N 3.44Å; T165-V242 VanDerWaalsContact CA-O 3.24Å; T165-V242 WeakPolarHBondContact CA-O 3.3Å; E238-V242 WeakPolarHBondContact OE2-CG2 3.33Å; T240-V242 HydrophobicContact CG2-CG2 4Å; V242-N244 PolarHBondContact O-N 3.21Å; V242-M248 HydrophobicContact CG1-CE 4.15Å; V242-M248 HydrophobicContact CG1-CG 4.26Å; V242-M248 HydrophobicContact CG2-CB 4.44Å; V242-M248 HydrophobicContact CG2-CG 3.58Å; V242-F276 WeakPolarHBondContact O-CD2 3.32Å
243N90.8Very high92.6Very high10 Ų1023.8 Ų23.85%0.05314%0.14CC..  trans-71.824.1-170.373.3-1.2000117.4S55 R56 S58 T245 F276S55-N243 PolarHBondContact O-ND2 3.19Å; R56-N243 WeakPolarHBondContact CA-ND2 3.37Å; R56-N243 WeakPolarHBondContact O-CB 3.43Å; R56-N243 PolarHBondContact O-N 3.44Å; S58-N243 WeakPolarHBondContact O-CB 3.39Å; S58-N243 PolarHBondContact O-ND2 3.4Å; N243-T245 PolarHBondContact O-N 3.34Å; N243-T245 VanDerWaalsContact O-N 3.09Å; N243-T245 WeakPolarHBondContact OD1-CB 3.22Å; N243-T245 PolarHBondContact OD1-N 2.95Å; N243-T245 PolarHBondContact OD1-OG1 2.9Å; N243-F276 HydrophobicContact CB-CB 4.33Å; N243-F276 HydrophobicContact CB-CD1 4.24Å; N243-F276 HydrophobicContact CB-CD2 4.06Å; N243-F276 HydrophobicContact CB-CE2 4.45Å; N243-F276 HydrophobicContact CB-CG 3.94Å
244N94.5Very high92.2Very high10 Ų1024.6 Ų24.65%0.05315%0.146CC..SBendtrans58.819.8177.3-158.4-108000116.1N163 T165 V242 I266 K267 Y268 L332N163-N244 PolarHBondContact ND2-ND2 2.96Å; T165-N244 HydrophobicContact CG2-CB 3.81Å; T165-N244 WeakPolarHBondContact OG1-CB 3.45Å; T165-N244 PolarHBondContact OG1-ND2 2.92Å; V242-N244 PolarHBondContact O-N 3.21Å; N244-I266 PolarHBondContact ND2-O 2.89Å; N244-K267 PolarHBondContact O-NZ 3.08Å; N244-K267 WeakPolarHBondContact OD1-CD 3.26Å; N244-Y268 HydrophobicContact CB-CD2 4.21Å; N244-Y268 PolarHBondContact OD1-N 2.97Å; N244-L332 WeakPolarHBondContact O-CD2 3.42Å
245T92.1Very high92Very high42 Ų4224.5 Ų24.526%0.25815%0.145SC..SBendtrans-99.6-18.9172.564.90000112.9R56 A60 N243 V333R56-T245 VanDerWaalsContact CD-OG1 3.28Å; R56-T245 WeakPolarHBondContact CD-OG1 3.39Å; R56-T245 PolarHBondContact NH1-O 3.34Å; R56-T245 PolarHBondContact NH1-OG1 3.41Å; A60-T245 HydrophobicContact CB-CG2 3.68Å; N243-T245 PolarHBondContact O-N 3.34Å; N243-T245 VanDerWaalsContact O-N 3.09Å; N243-T245 WeakPolarHBondContact OD1-CB 3.22Å; N243-T245 PolarHBondContact OD1-N 2.95Å; N243-T245 PolarHBondContact OD1-OG1 2.9Å; T245-V333 PolarHBondContact O-N 3.08Å; T245-V333 VanDerWaalsContact O-N 3.1Å
246S92.5Very high91.7Very high1 Ų126.4 Ų26.41%0.00715%0.154CC..EExtended strand (participates in β ladder)trans-144.4164.8-178.749.10000111R56 V333R56-S246 WeakPolarHBondContact CD-OG 3.01Å; R56-S246 VanDerWaalsContact NH1-CB 3.3Å; R56-S246 PolarHBondContact NH1-OG 3.3Å; S246-V333 CarbonylContact C-O 3.56Å; S246-V333 WeakPolarHBondContact CA-O 3.47Å; S246-V333 WeakPolarHBondContact CB-O 3.41Å
247V95.4Very high91.4Very high0 Ų025.3 Ų25.30%015%0.15CC..EExtended strand (participates in β ladder)trans-111.3120.8166.4-171.70000108.4N163 F250 K323 I326 A327 L332 V333 L335N163-V247 HydrophobicContact CB-CG1 4.35Å; N163-V247 HydrophobicContact CB-CG2 4.04Å; V247-F250 HydrophobicContact CG1-CD1 4.23Å; V247-F250 HydrophobicContact CG1-CE1 3.37Å; V247-F250 HydrophobicContact CG1-CZ 3.81Å; V247-K323 HydrophobicContact CB-CG 4.31Å; V247-K323 HydrophobicContact CG1-CG 3.68Å; V247-I326 HydrophobicContact CG2-CG2 4.34Å; V247-A327 HydrophobicContact CB-CB 4.3Å; V247-A327 HydrophobicContact CG2-CB 3.91Å; V247-L332 HydrophobicContact CG2-CB 3.85Å; V247-L332 HydrophobicContact CG2-CD1 3.44Å; V247-L332 VanDerWaalsContact CG2-CD1 3.44Å; V247-L332 HydrophobicContact CG2-CG 4.28Å; V247-V333 PolarHBondContact N-O 2.72Å; V247-L335 PolarHBondContact O-N 3.03Å
248M93.4Very high90.9Very high0 Ų025.6 Ų25.60%015%0.152CC..PPolyproline II helixtrans-75.5171.4177.2-68.6-67.1-176.100111.9R56 F57 E238 V242 F250 K323 L335 W337R56-M248 HydrophobicContact CB-CE 3.45Å; R56-M248 VanDerWaalsContact CB-CE 3.45Å; R56-M248 HydrophobicContact CG-CE 3.79Å; F57-M248 HydrophobicContact CE1-CE 3.95Å; F57-M248 HydrophobicContact CZ-CE 3.88Å; E238-M248 HydrophobicContact CG-CB 4.3Å; V242-M248 HydrophobicContact CG1-CE 4.15Å; V242-M248 HydrophobicContact CG1-CG 4.26Å; V242-M248 HydrophobicContact CG2-CB 4.44Å; V242-M248 HydrophobicContact CG2-CG 3.58Å; M248-F250 WeakPolarHBondContact O-CD1 3.38Å; M248-F250 PolarHBondContact O-N 3.49Å; M248-K323 WeakPolarHBondContact O-CD 3.37Å; M248-L335 HydrophobicContact CE-CD1 3.87Å; M248-L335 HydrophobicContact SD-CB 4.17Å; M248-L335 HydrophobicContact SD-CD1 3.78Å; M248-W337 HydrophobicContact SD-CB 4.4Å
249M93.7Very high90.7Very high78 Ų7830.2 Ų30.238%0.38418%0.177SC..PPolyproline II helixtrans-57.1128.9176-169-170.3-151.300111.5W337M249-W337 WeakPolarHBondContact CB-O 3.43Å; M249-W337 PolarHBondContact N-O 3.4Å
250F95.5Very high91Very high10 Ų1029.8 Ų29.84%0.04416%0.163CC..PPolyproline II helixtrans-78.8136.2174.6-76.22.7000111.8V161 P237 E238 V247 M248 K252 F255 A319 V322 K323 I326V161-F250 HydrophobicContact CG1-CD2 4.26Å; V161-F250 HydrophobicContact CG1-CE2 3.58Å; V161-F250 HydrophobicContact CG1-CZ 4.08Å; P237-F250 HydrophobicContact CB-CB 4.05Å; P237-F250 HydrophobicContact CB-CD1 4.31Å; P237-F250 HydrophobicContact CB-CD2 4.38Å; P237-F250 HydrophobicContact CB-CG 4.01Å; P237-F250 HydrophobicContact CG-CB 4.11Å; P237-F250 HydrophobicContact CG-CD1 3.69Å; P237-F250 HydrophobicContact CG-CD2 3.58Å; P237-F250 HydrophobicContact CG-CE1 3.87Å; P237-F250 HydrophobicContact CG-CE2 3.76Å; P237-F250 HydrophobicContact CG-CG 3.52Å; P237-F250 HydrophobicContact CG-CZ 3.9Å; E238-F250 HydrophobicContact CG-CD1 3.87Å; E238-F250 HydrophobicContact CG-CE1 3.64Å; V247-F250 HydrophobicContact CG1-CD1 4.23Å; V247-F250 HydrophobicContact CG1-CE1 3.37Å; V247-F250 HydrophobicContact CG1-CZ 3.81Å; M248-F250 WeakPolarHBondContact O-CD1 3.38Å; M248-F250 PolarHBondContact O-N 3.49Å; F250-K252 PolarHBondContact O-N 2.83Å; F250-F255 HydrophobicContact CB-CE2 3.96Å; F250-F255 HydrophobicContact CB-CZ 4.45Å; F250-F255 AromaticContact CD2-CE2 3.93Å; F250-F255 HydrophobicContact CD2-CE2 3.93Å; F250-F255 AromaticContact CD2-CZ 3.6Å; F250-F255 HydrophobicContact CD2-CZ 3.6Å; F250-F255 HydrophobicContact CE2-CZ 4.27Å; F250-F255 HydrophobicContact CG-CE2 4.36Å; F250-F255 HydrophobicContact CG-CZ 4.45Å; F250-A319 HydrophobicContact CB-CB 4.14Å; F250-V322 HydrophobicContact CE2-CG1 4.24Å; F250-K323 HydrophobicContact CD1-CB 4.35Å; F250-K323 HydrophobicContact CD1-CG 4.12Å; F250-K323 HydrophobicContact CD2-CB 3.69Å; F250-K323 HydrophobicContact CD2-CG 4.34Å; F250-K323 HydrophobicContact CE1-CB 4.5Å; F250-K323 HydrophobicContact CE1-CG 4.19Å; F250-K323 HydrophobicContact CE2-CB 3.86Å; F250-K323 HydrophobicContact CE2-CG 4.41Å; F250-K323 HydrophobicContact CG-CB 3.97Å; F250-K323 HydrophobicContact CG-CG 4.23Å; F250-K323 HydrophobicContact CZ-CB 4.28Å; F250-K323 HydrophobicContact CZ-CG 4.34Å; F250-I326 HydrophobicContact CE2-CD1 3.89Å; F250-I326 HydrophobicContact CZ-CD1 3.89Å
251K91.2Very high91.4Very high71 Ų7129 Ų2931%0.30916%0.159SC..PPolyproline II helixtrans-71.8124.7174.8-60.3-64.7174.3168.80110.4P237 G253 F255 D338P237-K251 WeakPolarHBondContact O-CB 3.48Å; P237-K251 VanDerWaalsContact O-CG 3.22Å; P237-K251 WeakPolarHBondContact O-CG 3.36Å; P237-K251 PolarHBondContact O-N 2.96Å; K251-G253 PolarHBondContact O-N 3.44Å; K251-G253 VanDerWaalsContact O-N 3.13Å; K251-F255 WeakPolarHBondContact O-CD2 3.24Å; K251-D338 WeakPolarHBondContact CE-OD1 3.19Å; K251-D338 IonicContact NZ-OD1 2.71Å; K251-D338 PolarHBondContact NZ-OD1 2.82Å; K251-D338 IonicContact NZ-OD2 3.52Å; K251-D338 PolarHBondContact NZ-OD2 3.02Å
252K90Very high91.7Very high99 Ų9929.9 Ų29.943%0.4316%0.16SC..THydrogen-bonded Turntrans-58.3-26.6-178.870.3175.1-169.8165.70115.2F250 S254 F255 E256 I316F250-K252 PolarHBondContact O-N 2.83Å; K252-S254 VanDerWaalsContact C-N 3.28Å; K252-S254 PolarHBondContact O-N 3.31Å; K252-F255 WeakPolarHBondContact O-CA 3.29Å; K252-F255 WeakPolarHBondContact O-CB 3.22Å; K252-F255 PolarHBondContact O-N 2.99Å; K252-E256 WeakPolarHBondContact CD-OE1 3.27Å; K252-E256 WeakPolarHBondContact CE-OE1 3.32Å; K252-E256 IonicContact NZ-OE1 3.61Å; K252-E256 PolarHBondContact O-N 3.46Å; K252-I316 HydrophobicContact CB-CG1 4.03Å; K252-I316 HydrophobicContact CD-CD1 4.18Å; K252-I316 HydrophobicContact CD-CG1 3.87Å
253G87.5Confident92Very high37 Ų3729.9 Ų29.938%0.38116%0.16SC..Hα-helixtrans-58.5-37.2-174.100000113.4K251 F255 E256K251-G253 PolarHBondContact O-N 3.44Å; K251-G253 VanDerWaalsContact O-N 3.13Å; G253-F255 PolarHBondContact O-N 2.85Å; G253-E256 PolarHBondContact O-N 2.86Å
254S86.3Confident92.4Very high17 Ų1729.4 Ų29.412%0.11916%0.158CC..Hα-helixtrans-67-24.3176.7-50.20000113.1I235 K252I235-S254 WeakPolarHBondContact CG2-OG 3.3Å; K252-S254 VanDerWaalsContact C-N 3.28Å; K252-S254 PolarHBondContact O-N 3.31Å
255F92.6Very high92.6Very high0 Ų029 Ų290%016%0.155CC..Hα-helixtrans-94.8-6.1-177.6-64.9-93.2000112.8V161 P237 F250 K251 K252 G253 I261 R309 F318 A319 V322V161-F255 HydrophobicContact CG1-CZ 4.14Å; V161-F255 HydrophobicContact CG2-CZ 4.23Å; P237-F255 HydrophobicContact CB-CE2 3.89Å; P237-F255 HydrophobicContact CG-CE2 4.09Å; P237-F255 HydrophobicContact CG-CZ 4.32Å; F250-F255 HydrophobicContact CB-CE2 3.96Å; F250-F255 HydrophobicContact CB-CZ 4.45Å; F250-F255 AromaticContact CD2-CE2 3.93Å; F250-F255 HydrophobicContact CD2-CE2 3.93Å; F250-F255 AromaticContact CD2-CZ 3.6Å; F250-F255 HydrophobicContact CD2-CZ 3.6Å; F250-F255 HydrophobicContact CE2-CZ 4.27Å; F250-F255 HydrophobicContact CG-CE2 4.36Å; F250-F255 HydrophobicContact CG-CZ 4.45Å; K251-F255 WeakPolarHBondContact O-CD2 3.24Å; K252-F255 WeakPolarHBondContact O-CA 3.29Å; K252-F255 WeakPolarHBondContact O-CB 3.22Å; K252-F255 PolarHBondContact O-N 2.99Å; G253-F255 PolarHBondContact O-N 2.85Å; F255-I261 HydrophobicContact CD1-CD1 4.35Å; F255-I261 HydrophobicContact CD1-CG1 3.95Å; F255-I261 HydrophobicContact CE1-CD1 4.46Å; F255-I261 HydrophobicContact CE1-CG1 3.99Å; F255-I261 HydrophobicContact CE1-CG2 4.31Å; F255-R309 PolarHBondContact O-NH2 3.44Å; F255-F318 HydrophobicContact CB-CD1 4.13Å; F255-F318 AromaticContact CD1-CD1 3.76Å; F255-F318 HydrophobicContact CD1-CD1 3.76Å; F255-F318 AromaticContact CD1-CE1 3.98Å; F255-F318 HydrophobicContact CD1-CE1 3.98Å; F255-F318 HydrophobicContact CD1-CG 4.18Å; F255-F318 HydrophobicContact CG-CD1 4.44Å; F255-A319 HydrophobicContact CB-CB 4.4Å; F255-A319 HydrophobicContact CD1-CB 4.14Å; F255-A319 HydrophobicContact CD2-CB 3.47Å; F255-A319 VanDerWaalsContact CD2-CB 3.47Å; F255-A319 HydrophobicContact CE1-CB 4.31Å; F255-A319 HydrophobicContact CE2-CB 3.67Å; F255-A319 HydrophobicContact CG-CB 3.73Å; F255-A319 HydrophobicContact CZ-CB 4.09Å; F255-V322 HydrophobicContact CE1-CB 3.8Å; F255-V322 HydrophobicContact CE1-CG1 3.99Å; F255-V322 HydrophobicContact CE1-CG2 3.87Å; F255-V322 HydrophobicContact CZ-CB 4.26Å; F255-V322 HydrophobicContact CZ-CG1 4.22Å
256E90.4Very high92.9Very high57 Ų5727 Ų2727%0.26614%0.143SC..Hα-helixtrans-85.2-21176.7-73.3172.6-175.100112.7K252 G253 S315K252-E256 WeakPolarHBondContact CD-OE1 3.27Å; K252-E256 WeakPolarHBondContact CE-OE1 3.32Å; K252-E256 IonicContact NZ-OE1 3.61Å; K252-E256 PolarHBondContact O-N 3.46Å; G253-E256 PolarHBondContact O-N 2.86Å; E256-S315 VanDerWaalsContact CG-CB 3.5Å; E256-S315 PolarHBondContact OE1-OG 2.96Å
257V87.8Confident93.1Very high11 Ų1129.9 Ų29.97%0.06716%0.155CC..Hα-helixtrans-81.8-49.3-174.3177.10000111.8I159 R218 L221 L222 V225I159-V257 HydrophobicContact CD1-CB 4.24Å; I159-V257 HydrophobicContact CD1-CG1 4.23Å; R218-V257 HydrophobicContact CG-CG2 4.07Å; L221-V257 HydrophobicContact CB-CB 4.31Å; L221-V257 HydrophobicContact CB-CG1 3.62Å; L221-V257 HydrophobicContact CB-CG2 3.79Å; L221-V257 HydrophobicContact CD1-CG2 3.96Å; L222-V257 HydrophobicContact CB-CG1 4.41Å; L222-V257 HydrophobicContact CD2-CB 4.38Å; L222-V257 HydrophobicContact CD2-CG1 3.75Å; L222-V257 WeakPolarHBondContact CD2-O 3.28Å; L222-V257 HydrophobicContact CG-CG1 3.84Å; V225-V257 HydrophobicContact CG2-CG1 4.32Å
258C85.2Confident93.1Very high9 Ų930.6 Ų30.66%0.06116%0.158CC..  trans-120.1143.5-172.1-168.30000110.8I159 V225 V260I159-C258 HydrophobicContact CD1-CB 3.57Å; I159-C258 HydrophobicContact CG1-CB 3.83Å; V225-C258 HydrophobicContact CG1-CB 4.3Å; C258-V260 PolarHBondContact SG-N 3.04Å; C258-V260 VanDerWaalsContact SG-N 3.4Å; C258-V260 PolarHBondContact SG-O 3.36Å
259N87.4Confident93Very high98 Ų9832.2 Ų32.252%0.52417%0.167SC..SBendtrans-83.2-16.4174.6-68.6-22000112.6T308 R309N259-T308 CarbonylContact O-C 3.58Å; N259-T308 WeakPolarHBondContact O-CA 3.47Å; N259-R309 PolarHBondContact O-N 3.24Å
260V93.4Very high92.7Very high46 Ų4629.8 Ų29.828%0.27916%0.16SC..EExtended strand (participates in β ladder)trans-118.5117.1-177.9-168.30000110C258 Y262 P306 T308C258-V260 PolarHBondContact SG-N 3.04Å; C258-V260 VanDerWaalsContact SG-N 3.4Å; C258-V260 PolarHBondContact SG-O 3.36Å; V260-Y262 HydrophobicContact CG1-CE2 3.96Å; V260-P306 HydrophobicContact CG1-CB 4.18Å; V260-T308 HydrophobicContact CG1-CG2 4.39Å; V260-T308 HydrophobicContact CG2-CG2 4.08Å
261I96.8Very high92.2Very high0 Ų036.1 Ų36.10%018%0.183CC..EExtended strand (participates in β ladder)trans-111.2138.7176.2-61.9-60.9000109.1I159 V161 F255 P263 P306 M307 F318 V322I159-I261 HydrophobicContact CB-CD1 3.82Å; I159-I261 HydrophobicContact CG2-CD1 4.26Å; I159-I261 WeakPolarHBondContact O-CA 3.35Å; V161-I261 HydrophobicContact CB-CG2 3.74Å; V161-I261 HydrophobicContact CG2-CD1 4.26Å; V161-I261 HydrophobicContact CG2-CG2 3.63Å; F255-I261 HydrophobicContact CD1-CD1 4.35Å; F255-I261 HydrophobicContact CD1-CG1 3.95Å; F255-I261 HydrophobicContact CE1-CD1 4.46Å; F255-I261 HydrophobicContact CE1-CG1 3.99Å; F255-I261 HydrophobicContact CE1-CG2 4.31Å; I261-P263 WeakPolarHBondContact O-CD 3.43Å; I261-P306 CarbonylContact O-C 3.59Å; I261-P306 WeakPolarHBondContact O-CA 3.27Å; I261-M307 PolarHBondContact N-O 2.92Å; I261-M307 PolarHBondContact O-N 3.34Å; I261-F318 HydrophobicContact CB-CE1 4.49Å; I261-F318 HydrophobicContact CB-CZ 3.92Å; I261-F318 HydrophobicContact CG1-CE1 3.55Å; I261-F318 HydrophobicContact CG1-CE2 4.49Å; I261-F318 HydrophobicContact CG1-CZ 3.47Å; I261-F318 VanDerWaalsContact CG1-CZ 3.47Å; I261-V322 HydrophobicContact CG2-CG1 3.99Å; I261-V322 HydrophobicContact CG2-CG2 4.37Å
262Y97.8Very high91.9Very high30 Ų3036.3 Ų36.312%0.11818%0.184CC..EExtended strand (participates in β ladder)trans-104.296.2172.7-67-94.1000108.2A154 K155 I159 C160 V161 V260 P306A154-Y262 HydrophobicContact CB-CD1 4.3Å; A154-Y262 HydrophobicContact CB-CD2 4.06Å; A154-Y262 HydrophobicContact CB-CG 3.78Å; K155-Y262 HydrophobicContact CG-CE1 4.4Å; I159-Y262 PolarHBondContact O-N 3.16Å; C160-Y262 WeakPolarHBondContact CA-O 3.47Å; V161-Y262 PolarHBondContact N-O 3.14Å; V260-Y262 HydrophobicContact CG1-CE2 3.96Å; Y262-P306 HydrophobicContact CD1-CB 3.97Å; Y262-P306 HydrophobicContact CE1-CB 3.79Å; Y262-P306 HydrophobicContact CE1-CG 4.36Å
263P98.2Very high91.7Very high1 Ų131.9 Ų31.91%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-76.9141.1-176.7-4.822.9000110.5V161 I261 L304 M307 V322 I326V161-P263 CarbonylContact O-C 3.55Å; V161-P263 WeakPolarHBondContact O-CA 3.49Å; I261-P263 WeakPolarHBondContact O-CD 3.43Å; P263-L304 HydrophobicContact CB-CB 4.03Å; P263-L304 HydrophobicContact CB-CD1 4.22Å; P263-L304 HydrophobicContact CG-CB 4.16Å; P263-L304 WeakPolarHBondContact O-CB 3.37Å; P263-L304 WeakPolarHBondContact O-CD1 3.29Å; P263-L304 PolarHBondContact O-N 2.89Å; P263-M307 HydrophobicContact CB-SD 4.48Å; P263-M307 HydrophobicContact CG-CB 4.33Å; P263-M307 HydrophobicContact CG-CG 3.73Å; P263-M307 HydrophobicContact CG-SD 3.49Å; P263-M307 WeakPolarHBondContact CG-SD 3.38Å; P263-V322 HydrophobicContact CB-CG1 3.97Å; P263-V322 HydrophobicContact CG-CG1 4.13Å; P263-I326 HydrophobicContact CB-CD1 3.93Å; P263-I326 HydrophobicContact CB-CG1 3.73Å
264V98.5Very high91.7Very high1 Ų132.1 Ų32.11%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-134.5130.9176.7-177.10000109.3C160 V161 A162 L173 I266 V301 W302 Y303C160-V264 VanDerWaalsContact SG-CG2 3.53Å; V161-V264 PolarHBondContact O-N 3.45Å; A162-V264 VanDerWaalsContact CA-O 3.28Å; A162-V264 WeakPolarHBondContact CA-O 3.46Å; A162-V264 HydrophobicContact CB-CB 4.16Å; L173-V264 HydrophobicContact CD2-CG1 3.74Å; V264-I266 HydrophobicContact CG1-CG1 4.38Å; V264-V301 HydrophobicContact CG1-CG1 3.57Å; V264-W302 WeakPolarHBondContact CA-O 3.25Å; V264-Y303 HydrophobicContact CG1-CD1 4.33Å; V264-Y303 HydrophobicContact CG1-CE1 4.37Å; V264-Y303 HydrophobicContact CG2-CD1 3.57Å; V264-Y303 HydrophobicContact CG2-CE1 3.92Å
265A98.5Very high91.9Very high0 Ų031.4 Ų31.40%015%0.154CC..EExtended strand (participates in β ladder)trans-102.4130.6171.600000109.9V301 W302 L304 I326 A329A265-V301 WeakPolarHBondContact O-CA 3.21Å; A265-W302 HydrophobicContact CB-CB 4.48Å; A265-W302 HydrophobicContact CB-CE3 4.27Å; A265-W302 PolarHBondContact N-O 2.82Å; A265-W302 PolarHBondContact O-N 3.26Å; A265-L304 HydrophobicContact CB-CD1 4.19Å; A265-I326 HydrophobicContact CB-CG2 4.07Å; A265-I326 WeakPolarHBondContact CB-O 3.44Å; A265-A329 HydrophobicContact CB-CB 3.91Å
266I98.2Very high91.8Very high0 Ų031.8 Ų31.80%016%0.155CC..EExtended strand (participates in β ladder)trans-116.4118.4175.5-53.6175.2000107.9A162 N163 D169 L173 N244 V264 Y268 D300 V301A162-I266 HydrophobicContact CB-CD1 4.18Å; N163-I266 PolarHBondContact ND2-O 2.94Å; N163-I266 PolarHBondContact OD1-N 3.47Å; D169-I266 HydrophobicContact CB-CD1 3.88Å; L173-I266 HydrophobicContact CD1-CD1 4.11Å; L173-I266 HydrophobicContact CD2-CD1 4.18Å; L173-I266 HydrophobicContact CD2-CG1 4.46Å; L173-I266 HydrophobicContact CG-CD1 4.07Å; N244-I266 PolarHBondContact ND2-O 2.89Å; V264-I266 HydrophobicContact CG1-CG1 4.38Å; I266-Y268 HydrophobicContact CG2-CD2 4.18Å; I266-Y268 HydrophobicContact CG2-CE2 3.69Å; I266-D300 WeakPolarHBondContact CA-O 3.4Å; I266-V301 HydrophobicContact CG1-CG2 4.45Å
267K97.2Very high91.8Very high62 Ų6231.1 Ų31.127%0.2715%0.151SC..EExtended strand (participates in β ladder)trans-117.2119173.8-174.566.2-176.8176.80110.1N244 C299 D300 W302 G330 L332N244-K267 PolarHBondContact O-NZ 3.08Å; N244-K267 WeakPolarHBondContact OD1-CD 3.26Å; K267-C299 CarbonylContact O-C 3.54Å; K267-C299 WeakPolarHBondContact O-CA 3.38Å; K267-C299 WeakPolarHBondContact O-CB 3.46Å; K267-D300 PolarHBondContact N-O 3.47Å; K267-D300 PolarHBondContact O-N 2.73Å; K267-W302 HydrophobicContact CB-CH2 3.97Å; K267-W302 HydrophobicContact CB-CZ3 3.54Å; K267-G330 WeakPolarHBondContact CD-O 3.39Å; K267-L332 HydrophobicContact CD-CD2 3.7Å; K267-L332 VanDerWaalsContact NZ-CD2 3.34Å
268Y94.9Very high91.7Very high16 Ų1631.4 Ų31.46%0.06315%0.152CC..EExtended strand (participates in β ladder)trans-87145.1174-69.1-86000111.3T165 D169 I172 N244 I266 A275 L297 C299T165-Y268 HydrophobicContact CG2-CD2 4.02Å; T165-Y268 HydrophobicContact CG2-CE2 3.95Å; D169-Y268 VanDerWaalsContact OD1-CE2 3.26Å; D169-Y268 WeakPolarHBondContact OD1-CE2 3.48Å; D169-Y268 PolarHBondContact OD1-OH 3.07Å; I172-Y268 HydrophobicContact CD1-CE1 3.51Å; I172-Y268 WeakPolarHBondContact CD1-OH 3.3Å; N244-Y268 HydrophobicContact CB-CD2 4.21Å; N244-Y268 PolarHBondContact OD1-N 2.97Å; I266-Y268 HydrophobicContact CG2-CD2 4.18Å; I266-Y268 HydrophobicContact CG2-CE2 3.69Å; Y268-A275 HydrophobicContact CD1-CB 3.51Å; Y268-A275 HydrophobicContact CD2-CB 3.94Å; Y268-A275 HydrophobicContact CE1-CB 3.56Å; Y268-A275 HydrophobicContact CE2-CB 3.99Å; Y268-A275 HydrophobicContact CG-CB 3.69Å; Y268-L297 HydrophobicContact CD1-CD1 3.72Å; Y268-L297 HydrophobicContact CD1-CG 4.18Å; Y268-L297 HydrophobicContact CE1-CD1 3.55Å; Y268-L297 HydrophobicContact CE1-CD2 4.09Å; Y268-L297 HydrophobicContact CE1-CG 3.82Å; Y268-C299 HydrophobicContact CD1-CB 3.59Å; Y268-C299 HydrophobicContact CE1-CB 3.97Å; Y268-C299 HydrophobicContact CG-CB 4.06Å
269D91.5Very high91.6Very high33 Ų3333.3 Ų33.318%0.17617%0.165CC..  trans-92.798167.1-172.9-8.7000110.2R271 F272 V298D269-R271 VanDerWaalsContact CG-NE 3.32Å; D269-R271 PolarHBondContact O-N 2.9Å; D269-R271 WeakPolarHBondContact OD1-CB 3.35Å; D269-R271 WeakPolarHBondContact OD1-CG 3.49Å; D269-R271 IonicContact OD1-CZ 3.4Å; D269-R271 PolarHBondContact OD1-N 3.3Å; D269-R271 IonicContact OD1-NE 3.81Å; D269-R271 PolarHBondContact OD1-NE 2.88Å; D269-R271 IonicContact OD1-NH2 3.27Å; D269-R271 IonicContact OD2-CZ 2.74Å; D269-R271 IonicContact OD2-NE 3.19Å; D269-R271 PolarHBondContact OD2-NE 3.01Å; D269-R271 IonicContact OD2-NH2 2.69Å; D269-R271 PolarHBondContact OD2-NH2 3.21Å; D269-F272 HydrophobicContact CB-CD2 4.29Å; D269-F272 PolarHBondContact O-N 3.43Å; D269-F272 WeakPolarHBondContact OD2-CE2 3.44Å; D269-V298 HydrophobicContact CB-CB 4.12Å; D269-V298 HydrophobicContact CB-CG1 4.22Å; D269-V298 PolarHBondContact N-O 3.06Å
270A87.4Confident91.4Very high28 Ų2832.9 Ų32.923%0.23117%0.17CC..THydrogen-bonded Turntrans-64.1-9.5-178.200000114.2L62 N66 F272 G273L62-A270 HydrophobicContact CD1-CB 4.01Å; L62-A270 VanDerWaalsContact CD1-O 3.29Å; L62-A270 WeakPolarHBondContact CD1-O 3.48Å; L62-A270 HydrophobicContact CD2-CB 3.61Å; L62-A270 HydrophobicContact CG-CB 4.22Å; N66-A270 PolarHBondContact ND2-O 3.44Å; A270-F272 VanDerWaalsContact C-N 3.27Å; A270-F272 PolarHBondContact O-N 3.27Å; A270-G273 WeakPolarHBondContact CA-O 3.48Å
271R85.2Confident91Very high142 Ų14239.9 Ų39.954%0.53619%0.191SC..THydrogen-bonded Turntrans-64.7-29.4176.9-63.3177.5-67179.80.3112.9D269D269-R271 VanDerWaalsContact CG-NE 3.32Å; D269-R271 PolarHBondContact O-N 2.9Å; D269-R271 WeakPolarHBondContact OD1-CB 3.35Å; D269-R271 WeakPolarHBondContact OD1-CG 3.49Å; D269-R271 IonicContact OD1-CZ 3.4Å; D269-R271 PolarHBondContact OD1-N 3.3Å; D269-R271 IonicContact OD1-NE 3.81Å; D269-R271 PolarHBondContact OD1-NE 2.88Å; D269-R271 IonicContact OD1-NH2 3.27Å; D269-R271 IonicContact OD2-CZ 2.74Å; D269-R271 IonicContact OD2-NE 3.19Å; D269-R271 PolarHBondContact OD2-NE 3.01Å; D269-R271 IonicContact OD2-NH2 2.69Å; D269-R271 PolarHBondContact OD2-NH2 3.21Å
272F85Confident90.4Very high76 Ų7641.2 Ų41.233%0.33320%0.199SC..THydrogen-bonded Turntrans-101.6-25.4-176.3-61.6-82.5000113.8D269 A270 W295 A296 V298D269-F272 HydrophobicContact CB-CD2 4.29Å; D269-F272 PolarHBondContact O-N 3.43Å; D269-F272 WeakPolarHBondContact OD2-CE2 3.44Å; A270-F272 VanDerWaalsContact C-N 3.27Å; A270-F272 PolarHBondContact O-N 3.27Å; F272-W295 WeakPolarHBondContact O-CB 2.9Å; F272-W295 PolarHBondContact O-N 3.08Å; F272-A296 CarbonylContact C-O 3.55Å; F272-A296 HydrophobicContact CB-CB 4.18Å; F272-A296 WeakPolarHBondContact CB-O 3.37Å; F272-V298 HydrophobicContact CB-CG2 3.96Å; F272-V298 HydrophobicContact CD1-CG2 4.48Å; F272-V298 HydrophobicContact CD2-CB 3.94Å; F272-V298 HydrophobicContact CD2-CG2 3.57Å; F272-V298 HydrophobicContact CE2-CG2 4.15Å; F272-V298 HydrophobicContact CG-CG2 3.75Å
273G85.3Confident90Very high5 Ų542.8 Ų42.85%0.05221%0.214CC..  trans-168.9139.8-17000000111.5A270A270-G273 WeakPolarHBondContact CA-O 3.48Å
274D87.1Confident89.5Confident42 Ų4246.9 Ų46.923%0.22523%0.231CC..  trans-91.4105.8166.5-176.914.1000109.6S59 F276 M291S59-D274 WeakPolarHBondContact CB-OD2 3.35Å; S59-D274 PolarHBondContact OG-OD2 3.15Å; D274-F276 PolarHBondContact O-N 2.83Å; D274-F276 WeakPolarHBondContact OD1-CB 3.21Å; D274-F276 PolarHBondContact OD1-N 2.82Å; D274-M291 WeakPolarHBondContact O-CE 3.34Å
275A91.1Very high89Confident2 Ų253.4 Ų53.42%0.01726%0.259CS..  trans-76.9-9.6178.400000113T165 S166 Y268 Y287 L297T165-A275 HydrophobicContact CG2-CB 4.04Å; S166-A275 WeakPolarHBondContact CB-O 3.42Å; S166-A275 PolarHBondContact OG-O 2.88Å; Y268-A275 HydrophobicContact CD1-CB 3.51Å; Y268-A275 HydrophobicContact CD2-CB 3.94Å; Y268-A275 HydrophobicContact CE1-CB 3.56Å; Y268-A275 HydrophobicContact CE2-CB 3.99Å; Y268-A275 HydrophobicContact CG-CB 3.69Å; A275-Y287 PolarHBondContact O-OH 3.24Å; A275-L297 HydrophobicContact CB-CD1 3.62Å
276F91.2Very high88.6Confident8 Ų857.9 Ų57.94%0.03528%0.28CS..  trans-71.2131.3-174.2175.4-119.5000112F57 T165 C241 V242 N243 D274 N278F57-F276 VanDerWaalsContact C-CZ 3.48Å; F57-F276 VanDerWaalsContact O-CE1 3.28Å; F57-F276 WeakPolarHBondContact O-CE1 3.01Å; F57-F276 VanDerWaalsContact O-CZ 3.22Å; F57-F276 WeakPolarHBondContact O-CZ 3.08Å; T165-F276 HydrophobicContact CG2-CB 4.36Å; C241-F276 HydrophobicContact CB-CE2 4.4Å; C241-F276 WeakPolarHBondContact O-CE2 3.45Å; V242-F276 WeakPolarHBondContact O-CD2 3.32Å; N243-F276 HydrophobicContact CB-CB 4.33Å; N243-F276 HydrophobicContact CB-CD1 4.24Å; N243-F276 HydrophobicContact CB-CD2 4.06Å; N243-F276 HydrophobicContact CB-CE2 4.45Å; N243-F276 HydrophobicContact CB-CG 3.94Å; D274-F276 PolarHBondContact O-N 2.83Å; D274-F276 WeakPolarHBondContact OD1-CB 3.21Å; D274-F276 PolarHBondContact OD1-N 2.82Å; F276-N278 HydrophobicContact CE1-CB 3.93Å; F276-N278 HydrophobicContact CZ-CB 4.16Å
277W89.3Confident88.3Confident43 Ų4358 Ų5816%0.16328%0.28CS..  trans-112.1117.9174.5-177.245.5000112.8T165 P167 V282 Y284 Y287T165-W277 PolarHBondContact O-N 3.5Å; P167-W277 VanDerWaalsContact CD-CE3 3.48Å; P167-W277 HydrophobicContact CG-CE3 3.55Å; P167-W277 HydrophobicContact CG-CZ3 3.63Å; W277-V282 PolarHBondContact NE1-O 2.96Å; W277-Y284 AromaticContact CH2-CD2 3.82Å; W277-Y284 HydrophobicContact CH2-CD2 3.82Å; W277-Y284 AromaticContact CZ2-CD2 3.9Å; W277-Y284 HydrophobicContact CZ2-CD2 3.9Å; W277-Y284 HydrophobicContact CZ3-CD2 4.39Å; W277-Y287 HydrophobicContact CB-CD2 3.86Å; W277-Y287 HydrophobicContact CB-CE1 4.39Å; W277-Y287 HydrophobicContact CB-CE2 3.71Å; W277-Y287 HydrophobicContact CB-CG 4.26Å; W277-Y287 AromaticContact CD1-CD2 3.56Å; W277-Y287 AromaticContact CD1-CG 3.52Å; W277-Y287 HydrophobicContact CG-CD1 4.26Å; W277-Y287 AromaticContact CG-CD2 3.9Å; W277-Y287 HydrophobicContact CG-CD2 3.9Å; W277-Y287 HydrophobicContact CG-CE2 4.24Å; W277-Y287 AromaticContact CG-CG 3.91Å; W277-Y287 HydrophobicContact CG-CG 3.91Å
278N86.3Confident88Confident18 Ų1858.3 Ų58.310%0.09629%0.285CS..  trans-98.895.3169.1-168.3-23000111.4F57 F276 S280 R281 V282F57-N278 PolarHBondContact O-ND2 3.3Å; F57-N278 VanDerWaalsContact O-ND2 3.12Å; F276-N278 HydrophobicContact CE1-CB 3.93Å; F276-N278 HydrophobicContact CZ-CB 4.16Å; N278-S280 PolarHBondContact O-N 2.96Å; N278-S280 WeakPolarHBondContact OD1-CB 3.27Å; N278-S280 PolarHBondContact OD1-N 2.89Å; N278-R281 HydrophobicContact CB-CB 4.41Å; N278-R281 PolarHBondContact O-N 2.87Å; N278-V282 PolarHBondContact O-N 3.24Å
279S83.3Confident87.7Confident48 Ų4860.8 Ų60.834%0.33630%0.297SS..THydrogen-bonded Turntrans-59.6-14.7178.350.90000115.7R343S279-R343 PolarHBondContact OG-NH2 3.47Å
280S82.6Confident87.6Confident89 Ų8962.7 Ų62.762%0.62231%0.306SS*.THydrogen-bonded Turntrans-87.9-13.8175.3-60.60000113.5N278N278-S280 PolarHBondContact O-N 2.96Å; N278-S280 WeakPolarHBondContact OD1-CB 3.27Å; N278-S280 PolarHBondContact OD1-N 2.89Å
281R84.7Confident87.8Confident194 Ų19461.6 Ų61.673%0.73230%0.297SS*.THydrogen-bonded Turntrans-118.4-34.7-178-66.4-172.1179.61771.2113.2N278N278-R281 HydrophobicContact CB-CB 4.41Å; N278-R281 PolarHBondContact O-N 2.87Å
282V85.9Confident88.1Confident28 Ų2855.7 Ų55.717%0.1728%0.275CS..SBendtrans-121.5124.2-170.7-179.20000109W277 N278 E286 M290W277-V282 PolarHBondContact NE1-O 2.96Å; N278-V282 PolarHBondContact O-N 3.24Å; V282-E286 HydrophobicContact CG1-CB 3.88Å; V282-E286 HydrophobicContact CG1-CG 3.82Å; V282-M290 HydrophobicContact CG1-SD 3.95Å
283S88.5Confident88.3Confident62 Ų6252.6 Ų52.643%0.43426%0.263SS..  trans-66.4159.8176.374.10000111.2F285 E286 Y287S283-F285 VanDerWaalsContact C-N 3.28Å; S283-F285 PolarHBondContact O-N 3.13Å; S283-E286 PolarHBondContact N-OE2 2.64Å; S283-E286 PolarHBondContact O-N 3.31Å; S283-E286 WeakPolarHBondContact OG-CB 3.23Å; S283-E286 PolarHBondContact OG-N 3.45Å; S283-E286 VanDerWaalsContact OG-N 3.11Å; S283-Y287 WeakPolarHBondContact O-CB 3.5Å; S283-Y287 PolarHBondContact O-N 3.4Å
284Y87Confident88.5Confident88 Ų8852.9 Ų52.935%0.34526%0.264SS..Hα-helixtrans-61-39.9178.5-168.8-100.5000111.9P167 L190 W277 Y287 L288P167-Y284 HydrophobicContact CB-CE2 4.35Å; P167-Y284 HydrophobicContact CG-CE2 4.18Å; L190-Y284 HydrophobicContact CD2-CD1 4.14Å; L190-Y284 HydrophobicContact CD2-CE1 3.96Å; W277-Y284 AromaticContact CH2-CD2 3.82Å; W277-Y284 HydrophobicContact CH2-CD2 3.82Å; W277-Y284 AromaticContact CZ2-CD2 3.9Å; W277-Y284 HydrophobicContact CZ2-CD2 3.9Å; W277-Y284 HydrophobicContact CZ3-CD2 4.39Å; Y284-Y287 PolarHBondContact O-N 3.2Å; Y284-L288 HydrophobicContact CD1-CD1 3.83Å; Y284-L288 HydrophobicContact CD1-CG 4.17Å; Y284-L288 HydrophobicContact CE1-CD1 3.65Å; Y284-L288 HydrophobicContact CE1-CD2 4.22Å; Y284-L288 HydrophobicContact CE1-CG 3.98Å; Y284-L288 WeakPolarHBondContact O-CG 3.46Å; Y284-L288 PolarHBondContact O-N 3.24Å
285F89.3Confident88.7Confident138 Ų13853.6 Ų53.661%0.60526%0.263SS*.Hα-helixtrans-66.7-44177.8179.2-100000112.3S283 Y287 L288 M289S283-F285 VanDerWaalsContact C-N 3.28Å; S283-F285 PolarHBondContact O-N 3.13Å; F285-Y287 VanDerWaalsContact C-N 3.3Å; F285-Y287 PolarHBondContact O-N 2.93Å; F285-L288 WeakPolarHBondContact O-CB 3.45Å; F285-L288 PolarHBondContact O-N 2.82Å; F285-M289 HydrophobicContact CD1-CG 4.3Å; F285-M289 HydrophobicContact CD2-CE 4.25Å; F285-M289 HydrophobicContact CE1-CE 4.16Å; F285-M289 HydrophobicContact CE1-CG 3.91Å; F285-M289 HydrophobicContact CE2-CE 3.36Å; F285-M289 HydrophobicContact CZ-CE 3.33Å; F285-M289 HydrophobicContact CZ-CG 4.06Å; F285-M289 HydrophobicContact CZ-SD 4.41Å; F285-M289 WeakPolarHBondContact O-CG 3.22Å; F285-M289 PolarHBondContact O-N 3.03Å
286E90.2Very high88.8Confident93 Ų9354.3 Ų54.344%0.43527%0.27SS..Hα-helixtrans-60.6-42.4175.1-175.1-177.2-177.400111.1V282 S283 L288 M289 M290V282-E286 HydrophobicContact CG1-CB 3.88Å; V282-E286 HydrophobicContact CG1-CG 3.82Å; S283-E286 PolarHBondContact N-OE2 2.64Å; S283-E286 PolarHBondContact O-N 3.31Å; S283-E286 WeakPolarHBondContact OG-CB 3.23Å; S283-E286 PolarHBondContact OG-N 3.45Å; S283-E286 VanDerWaalsContact OG-N 3.11Å; E286-L288 PolarHBondContact O-N 3.31Å; E286-M289 PolarHBondContact O-N 3.19Å; E286-M289 VanDerWaalsContact O-N 3.16Å; E286-M290 WeakPolarHBondContact O-CG 3.16Å; E286-M290 PolarHBondContact O-N 3.36Å
287Y91.1Very high88.8Confident3 Ų354.2 Ų54.21%0.01227%0.269CS..Hα-helixtrans-60.3-44.8173.9178-106.5000112.1S166 I168 A275 W277 S283 Y284 F285 M289 M290 M291S166-Y287 WeakPolarHBondContact CB-OH 3.47Å; S166-Y287 PolarHBondContact OG-OH 3.41Å; I168-Y287 HydrophobicContact CD1-CE1 3.81Å; I168-Y287 WeakPolarHBondContact CD1-OH 3.45Å; I168-Y287 HydrophobicContact CG1-CE1 3.99Å; A275-Y287 PolarHBondContact O-OH 3.24Å; W277-Y287 HydrophobicContact CB-CD2 3.86Å; W277-Y287 HydrophobicContact CB-CE1 4.39Å; W277-Y287 HydrophobicContact CB-CE2 3.71Å; W277-Y287 HydrophobicContact CB-CG 4.26Å; W277-Y287 AromaticContact CD1-CD2 3.56Å; W277-Y287 AromaticContact CD1-CG 3.52Å; W277-Y287 HydrophobicContact CG-CD1 4.26Å; W277-Y287 AromaticContact CG-CD2 3.9Å; W277-Y287 HydrophobicContact CG-CD2 3.9Å; W277-Y287 HydrophobicContact CG-CE2 4.24Å; W277-Y287 AromaticContact CG-CG 3.91Å; W277-Y287 HydrophobicContact CG-CG 3.91Å; S283-Y287 WeakPolarHBondContact O-CB 3.5Å; S283-Y287 PolarHBondContact O-N 3.4Å; Y284-Y287 PolarHBondContact O-N 3.2Å; F285-Y287 VanDerWaalsContact C-N 3.3Å; F285-Y287 PolarHBondContact O-N 2.93Å; Y287-M289 VanDerWaalsContact C-N 3.31Å; Y287-M289 PolarHBondContact O-N 3.41Å; Y287-M290 WeakPolarHBondContact O-CB 3.39Å; Y287-M290 PolarHBondContact O-N 3.22Å; Y287-M291 HydrophobicContact CD1-CG 4.45Å; Y287-M291 HydrophobicContact CE1-CG 4.03Å; Y287-M291 HydrophobicContact CE2-CE 3.91Å; Y287-M291 HydrophobicContact CE2-CG 4.17Å; Y287-M291 HydrophobicContact CE2-SD 4.17Å; Y287-M291 VanDerWaalsContact O-CG 3.28Å; Y287-M291 WeakPolarHBondContact O-CG 3.48Å; Y287-M291 PolarHBondContact O-N 2.57Å
288L90.4Very high89.1Confident69 Ų6953.8 Ų53.836%0.36127%0.271SS..Hα-helixtrans-58.1-44.3173.6-70.5174.7000111.3Y284 F285 E286 M290 M291 M292Y284-L288 HydrophobicContact CD1-CD1 3.83Å; Y284-L288 HydrophobicContact CD1-CG 4.17Å; Y284-L288 HydrophobicContact CE1-CD1 3.65Å; Y284-L288 HydrophobicContact CE1-CD2 4.22Å; Y284-L288 HydrophobicContact CE1-CG 3.98Å; Y284-L288 WeakPolarHBondContact O-CG 3.46Å; Y284-L288 PolarHBondContact O-N 3.24Å; F285-L288 WeakPolarHBondContact O-CB 3.45Å; F285-L288 PolarHBondContact O-N 2.82Å; E286-L288 PolarHBondContact O-N 3.31Å; L288-M290 VanDerWaalsContact C-N 3.33Å; L288-M290 PolarHBondContact O-N 2.97Å; L288-M291 PolarHBondContact O-N 3.5Å; L288-M291 VanDerWaalsContact O-N 3.14Å; L288-M292 WeakPolarHBondContact O-CB 3.39Å; L288-M292 WeakPolarHBondContact O-CG 3.42Å; L288-M292 PolarHBondContact O-N 3.46Å
289M90.3Very high89.6Confident67 Ų6753 Ų5333%0.3327%0.267SS..Hα-helixtrans-64.3-37177.2-68.8-59155.100112.4F94 F285 E286 Y287 M291 M292 T293F94-M289 HydrophobicContact CE2-SD 3.86Å; F94-M289 HydrophobicContact CZ-SD 4.25Å; F285-M289 HydrophobicContact CD1-CG 4.3Å; F285-M289 HydrophobicContact CD2-CE 4.25Å; F285-M289 HydrophobicContact CE1-CE 4.16Å; F285-M289 HydrophobicContact CE1-CG 3.91Å; F285-M289 HydrophobicContact CE2-CE 3.36Å; F285-M289 HydrophobicContact CZ-CE 3.33Å; F285-M289 HydrophobicContact CZ-CG 4.06Å; F285-M289 HydrophobicContact CZ-SD 4.41Å; F285-M289 WeakPolarHBondContact O-CG 3.22Å; F285-M289 PolarHBondContact O-N 3.03Å; E286-M289 PolarHBondContact O-N 3.19Å; E286-M289 VanDerWaalsContact O-N 3.16Å; Y287-M289 VanDerWaalsContact C-N 3.31Å; Y287-M289 PolarHBondContact O-N 3.41Å; M289-M291 VanDerWaalsContact C-N 3.32Å; M289-M291 PolarHBondContact O-N 2.82Å; M289-M292 PolarHBondContact O-N 2.96Å; M289-T293 WeakPolarHBondContact O-CB 3.34Å; M289-T293 WeakPolarHBondContact O-CG2 3.4Å; M289-T293 PolarHBondContact O-N 3.47Å; M289-T293 PolarHBondContact O-OG1 2.68Å
290M89.3Confident90.3Very high73 Ų7353.1 Ų53.136%0.3626%0.264SS..Hα-helixtrans-61.2-40.1172.1-69.8174.365.400111.8V282 E286 Y287 L288 T293 S294V282-M290 HydrophobicContact CG1-SD 3.95Å; E286-M290 WeakPolarHBondContact O-CG 3.16Å; E286-M290 PolarHBondContact O-N 3.36Å; Y287-M290 WeakPolarHBondContact O-CB 3.39Å; Y287-M290 PolarHBondContact O-N 3.22Å; L288-M290 VanDerWaalsContact C-N 3.33Å; L288-M290 PolarHBondContact O-N 2.97Å; M290-T293 CarbonylContact O-C 3.57Å; M290-T293 PolarHBondContact O-N 3.43Å; M290-T293 PolarHBondContact O-OG1 3.36Å; M290-S294 WeakPolarHBondContact O-CB 3.49Å; M290-S294 PolarHBondContact O-N 2.83Å; M290-S294 PolarHBondContact O-OG 2.83Å
291M91.3Very high91Very high6 Ų648.9 Ų48.93%0.0323%0.234CC..Hα-helixtrans-71.5-41178.5-63.5-65.9103.300111.9K97 I168 D274 Y287 L288 M289 T293 S294K97-M291 PolarHBondContact NZ-O 3.26Å; I168-M291 HydrophobicContact CD1-CB 4.4Å; I168-M291 HydrophobicContact CD1-CG 3.58Å; I168-M291 HydrophobicContact CD1-SD 3.49Å; I168-M291 WeakPolarHBondContact CD1-SD 3.3Å; D274-M291 WeakPolarHBondContact O-CE 3.34Å; Y287-M291 HydrophobicContact CD1-CG 4.45Å; Y287-M291 HydrophobicContact CE1-CG 4.03Å; Y287-M291 HydrophobicContact CE2-CE 3.91Å; Y287-M291 HydrophobicContact CE2-CG 4.17Å; Y287-M291 HydrophobicContact CE2-SD 4.17Å; Y287-M291 VanDerWaalsContact O-CG 3.28Å; Y287-M291 WeakPolarHBondContact O-CG 3.48Å; Y287-M291 PolarHBondContact O-N 2.57Å; L288-M291 PolarHBondContact O-N 3.5Å; L288-M291 VanDerWaalsContact O-N 3.14Å; M289-M291 VanDerWaalsContact C-N 3.32Å; M289-M291 PolarHBondContact O-N 2.82Å; M291-T293 PolarHBondContact O-N 2.87Å; M291-S294 PolarHBondContact O-N 2.68Å
292M90.8Very high91.7Very high17 Ų1742.7 Ų42.78%0.08421%0.211CC..Hα-helixtrans-64.8-27.8175.5-66.1-65.3-69.600111.8F94 K97 L101 A140 L288 M289F94-M292 HydrophobicContact CD2-CB 3.83Å; F94-M292 HydrophobicContact CE2-CB 3.93Å; K97-M292 HydrophobicContact CB-CE 3.46Å; K97-M292 VanDerWaalsContact CB-CE 3.46Å; K97-M292 HydrophobicContact CB-SD 4.23Å; K97-M292 WeakPolarHBondContact CD-O 3.44Å; K97-M292 PolarHBondContact NZ-O 3.46Å; L101-M292 HydrophobicContact CD1-CE 3.52Å; L101-M292 HydrophobicContact CD1-SD 4.1Å; L101-M292 HydrophobicContact CG-CE 4.28Å; A140-M292 VanDerWaalsContact O-SD 3.35Å; L288-M292 WeakPolarHBondContact O-CB 3.39Å; L288-M292 WeakPolarHBondContact O-CG 3.42Å; L288-M292 PolarHBondContact O-N 3.46Å; M289-M292 PolarHBondContact O-N 2.96Å
293T89.3Confident92.3Very high12 Ų1241.4 Ų41.47%0.07420%0.203CC..Hα-helixtrans-103.30.4178.760.20000114.3R89 Y90 F94 M289 M290 M291R89-T293 WeakPolarHBondContact CD-O 3.38Å; R89-T293 PolarHBondContact NH1-O 2.86Å; Y90-T293 HydrophobicContact CD1-CG2 4.28Å; Y90-T293 HydrophobicContact CE1-CG2 3.78Å; Y90-T293 HydrophobicContact CE2-CG2 4.3Å; F94-T293 HydrophobicContact CB-CG2 4.36Å; F94-T293 HydrophobicContact CD2-CG2 3.74Å; F94-T293 HydrophobicContact CE2-CG2 4.45Å; F94-T293 HydrophobicContact CG-CG2 4.32Å; M289-T293 WeakPolarHBondContact O-CB 3.34Å; M289-T293 WeakPolarHBondContact O-CG2 3.4Å; M289-T293 PolarHBondContact O-N 3.47Å; M289-T293 PolarHBondContact O-OG1 2.68Å; M290-T293 CarbonylContact O-C 3.57Å; M290-T293 PolarHBondContact O-N 3.43Å; M290-T293 PolarHBondContact O-OG1 3.36Å; M291-T293 PolarHBondContact O-N 2.87Å
294S90Very high92.8Very high11 Ų1139.5 Ų39.58%0.07719%0.188CC..SBendtrans-71.8157.3170.7-71.70000111.4K97 M290 M291K97-S294 PolarHBondContact NZ-O 2.87Å; M290-S294 WeakPolarHBondContact O-CB 3.49Å; M290-S294 PolarHBondContact O-N 2.83Å; M290-S294 PolarHBondContact O-OG 2.83Å; M291-S294 PolarHBondContact O-N 2.68Å
295W91.7Very high93.3Very high56 Ų5639.1 Ų39.121%0.21220%0.196CC..SBendtrans-65.6-56.7178.6-72.992.8000111.7L67 F88 R89 L93 S142 F272L67-W295 HydrophobicContact CB-CD2 4.37Å; L67-W295 HydrophobicContact CB-CG 4.3Å; L67-W295 HydrophobicContact CB-CZ2 4.22Å; L67-W295 HydrophobicContact CD1-CD2 4.12Å; L67-W295 HydrophobicContact CD1-CG 4.34Å; L67-W295 HydrophobicContact CD1-CZ2 4.43Å; L67-W295 PolarHBondContact O-NE1 2.88Å; F88-W295 HydrophobicContact CD1-CE3 4.24Å; F88-W295 AromaticContact CD1-CH2 3.68Å; F88-W295 HydrophobicContact CD1-CH2 3.68Å; F88-W295 AromaticContact CD1-CZ3 3.39Å; F88-W295 HydrophobicContact CD1-CZ3 3.39Å; F88-W295 HydrophobicContact CE1-CE3 4.3Å; F88-W295 HydrophobicContact CE1-CH2 4.34Å; F88-W295 AromaticContact CE1-CZ3 3.61Å; F88-W295 HydrophobicContact CE1-CZ3 3.61Å; F88-W295 HydrophobicContact CG-CH2 4.4Å; F88-W295 HydrophobicContact CG-CZ3 4.45Å; R89-W295 HydrophobicContact CG-CD2 4.29Å; R89-W295 HydrophobicContact CG-CZ2 4.33Å; L93-W295 HydrophobicContact CD1-CD2 4.43Å; L93-W295 HydrophobicContact CD1-CE3 3.99Å; S142-W295 WeakPolarHBondContact CB-O 3.39Å; F272-W295 WeakPolarHBondContact O-CB 2.9Å; F272-W295 PolarHBondContact O-N 3.08Å
296A91.6Very high93.7Very high18 Ų1835.6 Ų35.615%0.14919%0.187CC..  trans-158.2154.8177.100000109.6S142 F272 V298S142-A296 WeakPolarHBondContact O-CA 3.4Å; S142-A296 WeakPolarHBondContact O-CB 3.21Å; F272-A296 CarbonylContact C-O 3.55Å; F272-A296 HydrophobicContact CB-CB 4.18Å; F272-A296 WeakPolarHBondContact CB-O 3.37Å; A296-V298 HydrophobicContact CB-CG2 3.82Å
297L93Very high94Very high6 Ų632.6 Ų32.63%0.03117%0.173CC..EExtended strand (participates in β ladder)trans-102.192.4168.5-174.175000107.8L138 S142 G143 A144 I168 I172 Y268 A275L138-L297 HydrophobicContact CD1-CD2 4.47Å; S142-L297 PolarHBondContact O-N 3.39Å; G143-L297 CarbonylContact C-O 3.57Å; G143-L297 VanDerWaalsContact CA-O 3.29Å; G143-L297 WeakPolarHBondContact CA-O 3.49Å; A144-L297 PolarHBondContact N-O 2.79Å; I168-L297 HydrophobicContact CB-CD2 4.41Å; I168-L297 HydrophobicContact CD1-CD2 4.33Å; I168-L297 HydrophobicContact CG2-CD2 3.37Å; I172-L297 HydrophobicContact CD1-CD2 3.96Å; I172-L297 HydrophobicContact CG1-CD2 4.48Å; Y268-L297 HydrophobicContact CD1-CD1 3.72Å; Y268-L297 HydrophobicContact CD1-CG 4.18Å; Y268-L297 HydrophobicContact CE1-CD1 3.55Å; Y268-L297 HydrophobicContact CE1-CD2 4.09Å; Y268-L297 HydrophobicContact CE1-CG 3.82Å; A275-L297 HydrophobicContact CB-CD1 3.62Å
298V94.8Very high94.2Very high34 Ų3436.6 Ų36.621%0.20620%0.198CC..EExtended strand (participates in β ladder)trans-98.2125.8-177.2-175.30000109A144 D269 F272 A296A144-V298 HydrophobicContact CB-CG2 4.3Å; A144-V298 WeakPolarHBondContact O-CA 3.5Å; D269-V298 HydrophobicContact CB-CB 4.12Å; D269-V298 HydrophobicContact CB-CG1 4.22Å; D269-V298 PolarHBondContact N-O 3.06Å; F272-V298 HydrophobicContact CB-CG2 3.96Å; F272-V298 HydrophobicContact CD1-CG2 4.48Å; F272-V298 HydrophobicContact CD2-CB 3.94Å; F272-V298 HydrophobicContact CD2-CG2 3.57Å; F272-V298 HydrophobicContact CE2-CG2 4.15Å; F272-V298 HydrophobicContact CG-CG2 3.75Å; A296-V298 HydrophobicContact CB-CG2 3.82Å
299C96.1Very high94.4Very high0 Ų036.8 Ų36.80%019%0.194CC..EExtended strand (participates in β ladder)trans-151.9157.2175.268.50000114A144 V145 T146 K267 Y268A144-C299 PolarHBondContact O-N 2.99Å; A144-C299 VanDerWaalsContact O-N 3.09Å; V145-C299 WeakPolarHBondContact CA-O 3.47Å; T146-C299 PolarHBondContact N-O 3.41Å; K267-C299 CarbonylContact O-C 3.54Å; K267-C299 WeakPolarHBondContact O-CA 3.38Å; K267-C299 WeakPolarHBondContact O-CB 3.46Å; Y268-C299 HydrophobicContact CD1-CB 3.59Å; Y268-C299 HydrophobicContact CE1-CB 3.97Å; Y268-C299 HydrophobicContact CG-CB 4.06Å
300D97.9Very high94.5Very high51 Ų5136.2 Ų36.227%0.27320%0.2SC..EExtended strand (participates in β ladder)trans-106.6136.7171.2-72.9-85.6000109.8T146 H148 I266 K267 W302T146-D300 WeakPolarHBondContact CB-OD1 3.35Å; T146-D300 WeakPolarHBondContact O-CA 3.38Å; H148-D300 IonicContact CD2-OD1 3.75Å; H148-D300 IonicContact CE1-OD1 2.72Å; H148-D300 IonicContact NE2-OD1 3.63Å; H148-D300 PolarHBondContact NE2-OD1 3.39Å; I266-D300 WeakPolarHBondContact CA-O 3.4Å; K267-D300 PolarHBondContact N-O 3.47Å; K267-D300 PolarHBondContact O-N 2.73Å; D300-W302 HydrophobicContact CB-CE3 4.1Å; D300-W302 HydrophobicContact CB-CH2 3.12Å; D300-W302 HydrophobicContact CB-CZ2 3.57Å; D300-W302 HydrophobicContact CB-CZ3 3.4Å; D300-W302 WeakPolarHBondContact O-CZ3 3.37Å
301V98.5Very high94.7Very high0 Ų042.6 Ų42.60%023%0.229CC..EExtended strand (participates in β ladder)trans-122.3114.6179.3178.50000108.6V145 T146 F147 H148 I172 L173 V264 A265 I266 Y303V145-V301 HydrophobicContact CG1-CB 4.43Å; V145-V301 HydrophobicContact CG1-CG2 3.65Å; T146-V301 PolarHBondContact O-N 3.22Å; F147-V301 HydrophobicContact CD1-CB 3.71Å; F147-V301 HydrophobicContact CD1-CG1 3.85Å; F147-V301 HydrophobicContact CD1-CG2 4.2Å; F147-V301 HydrophobicContact CE1-CB 4.05Å; F147-V301 HydrophobicContact CE1-CG1 4.12Å; F147-V301 HydrophobicContact CE1-CG2 4.04Å; H148-V301 PolarHBondContact N-O 2.87Å; I172-V301 HydrophobicContact CG2-CG2 3.58Å; L173-V301 HydrophobicContact CD2-CG1 3.71Å; V264-V301 HydrophobicContact CG1-CG1 3.57Å; A265-V301 WeakPolarHBondContact O-CA 3.21Å; I266-V301 HydrophobicContact CG1-CG2 4.45Å; V301-Y303 HydrophobicContact CG1-CE2 4.16Å
302W98.6Very high94.7Very high65 Ų6546.2 Ų46.225%0.24627%0.268CS..EExtended strand (participates in β ladder)trans-103.5119.1174.5-63.1-94.1000110.2H148 V264 A265 K267 D300 L304H148-W302 VanDerWaalsContact CB-CD1 3.43Å; H148-W302 HydrophobicContact CB-CG 4.07Å; H148-W302 AromaticContact CD2-CD1 3.68Å; H148-W302 AromaticContact CD2-CE2 3.61Å; H148-W302 AromaticContact CD2-NE1 3.35Å; H148-W302 PolarHBondContact CD2-NE1 3.41Å; H148-W302 AromaticContact CG-CD1 3.61Å; H148-W302 AromaticContact CG-NE1 3.52Å; H148-W302 AromaticContact NE2-CE2 3.99Å; H148-W302 AromaticContact NE2-NE1 3.85Å; V264-W302 WeakPolarHBondContact CA-O 3.25Å; A265-W302 HydrophobicContact CB-CB 4.48Å; A265-W302 HydrophobicContact CB-CE3 4.27Å; A265-W302 PolarHBondContact N-O 2.82Å; A265-W302 PolarHBondContact O-N 3.26Å; K267-W302 HydrophobicContact CB-CH2 3.97Å; K267-W302 HydrophobicContact CB-CZ3 3.54Å; D300-W302 HydrophobicContact CB-CE3 4.1Å; D300-W302 HydrophobicContact CB-CH2 3.12Å; D300-W302 HydrophobicContact CB-CZ2 3.57Å; D300-W302 HydrophobicContact CB-CZ3 3.4Å; D300-W302 WeakPolarHBondContact O-CZ3 3.37Å; W302-L304 WeakPolarHBondContact O-CD1 3.46Å
303Y98.6Very high94.9Very high0 Ų046.7 Ų46.70%027%0.27CS..EExtended strand (participates in β ladder)trans-83.7113.8167.6-63.9-77.4000109F147 H148 N149 R150 N152 A153 N176 V264 V301F147-Y303 HydrophobicContact CB-CE2 4.34Å; F147-Y303 AromaticContact CD1-CE2 3.72Å; F147-Y303 HydrophobicContact CD1-CE2 3.72Å; F147-Y303 HydrophobicContact CG-CE2 4.45Å; H148-Y303 WeakPolarHBondContact O-CD2 3.5Å; H148-Y303 PolarHBondContact O-N 3.3Å; H148-Y303 VanDerWaalsContact O-N 3.14Å; N149-Y303 WeakPolarHBondContact CB-O 3.39Å; N149-Y303 VanDerWaalsContact O-CB 3.3Å; N149-Y303 WeakPolarHBondContact O-CB 3.46Å; R150-Y303 HydrophobicContact CG-CD2 4.48Å; R150-Y303 HydrophobicContact CG-CE2 4.4Å; N152-Y303 PolarHBondContact ND2-O 3.09Å; A153-Y303 HydrophobicContact CB-CD1 4.15Å; A153-Y303 HydrophobicContact CB-CE1 4.17Å; A153-Y303 HydrophobicContact CB-CG 4.47Å; N176-Y303 WeakPolarHBondContact ND2-CE2 3.44Å; N176-Y303 PolarHBondContact ND2-OH 2.83Å; V264-Y303 HydrophobicContact CG1-CD1 4.33Å; V264-Y303 HydrophobicContact CG1-CE1 4.37Å; V264-Y303 HydrophobicContact CG2-CD1 3.57Å; V264-Y303 HydrophobicContact CG2-CE1 3.92Å; V301-Y303 HydrophobicContact CG1-CE2 4.16Å
304L98.4Very high95.1Very high22 Ų2249.8 Ų49.812%0.11529%0.286CS..PPolyproline II helixtrans-84.2153.4178.5-67.688.8000110.1N152 P263 A265 W302 A325 I326 A329N152-L304 WeakPolarHBondContact CB-O 3.26Å; P263-L304 HydrophobicContact CB-CB 4.03Å; P263-L304 HydrophobicContact CB-CD1 4.22Å; P263-L304 HydrophobicContact CG-CB 4.16Å; P263-L304 WeakPolarHBondContact O-CB 3.37Å; P263-L304 WeakPolarHBondContact O-CD1 3.29Å; P263-L304 PolarHBondContact O-N 2.89Å; A265-L304 HydrophobicContact CB-CD1 4.19Å; W302-L304 WeakPolarHBondContact O-CD1 3.46Å; L304-A325 HydrophobicContact CD2-CB 3.82Å; L304-A325 WeakPolarHBondContact CD2-O 3.36Å; L304-I326 HydrophobicContact CD1-CG1 4.49Å; L304-A329 HydrophobicContact CD1-CB 4Å; L304-A329 HydrophobicContact CD2-CB 3.89Å; L304-A329 HydrophobicContact CG-CB 4.15Å
305P98.1Very high95.2Very high81 Ų8150 Ų5053%0.52629%0.287SS..PPolyproline II helixtrans-51.1142.7172-26.835.1000111.8M307P305-M307 PolarHBondContact O-N 3.45Å
306P97.5Very high95.3Very high63 Ų6351.5 Ų51.541%0.40930%0.299SS..PPolyproline II helixtrans-59135.5179.925-33.5000110.5V260 I261 Y262V260-P306 HydrophobicContact CG1-CB 4.18Å; I261-P306 CarbonylContact O-C 3.59Å; I261-P306 WeakPolarHBondContact O-CA 3.27Å; Y262-P306 HydrophobicContact CD1-CB 3.97Å; Y262-P306 HydrophobicContact CE1-CB 3.79Å; Y262-P306 HydrophobicContact CE1-CG 4.36Å
307M97.1Very high95.5Very high30 Ų3055.4 Ų55.415%0.14831%0.314CS..EExtended strand (participates in β ladder)trans-107.3122.3-179.7-63.6178.772.200108.9I261 P263 P305 F318 R321 V322 A325I261-M307 PolarHBondContact N-O 2.92Å; I261-M307 PolarHBondContact O-N 3.34Å; P263-M307 HydrophobicContact CB-SD 4.48Å; P263-M307 HydrophobicContact CG-CB 4.33Å; P263-M307 HydrophobicContact CG-CG 3.73Å; P263-M307 HydrophobicContact CG-SD 3.49Å; P263-M307 WeakPolarHBondContact CG-SD 3.38Å; P305-M307 PolarHBondContact O-N 3.45Å; M307-F318 HydrophobicContact CB-CE2 4.12Å; M307-F318 WeakPolarHBondContact O-CZ 3.49Å; M307-R321 HydrophobicContact CE-CB 4.46Å; M307-R321 HydrophobicContact CE-CG 3.68Å; M307-V322 HydrophobicContact CB-CG2 4.22Å; M307-V322 HydrophobicContact CE-CG2 4.01Å; M307-V322 HydrophobicContact SD-CB 4.39Å; M307-V322 HydrophobicContact SD-CG2 3.83Å; M307-A325 HydrophobicContact CE-CB 4.22Å; M307-A325 HydrophobicContact SD-CB 3.85Å
308T95.5Very high95.7Very high87 Ų8755.1 Ų55.153%0.53431%0.312SS..EExtended strand (participates in β ladder)trans-94.5147.6172.1540000110.6N259 V260 A310 R321N259-T308 CarbonylContact O-C 3.58Å; N259-T308 WeakPolarHBondContact O-CA 3.47Å; V260-T308 HydrophobicContact CG1-CG2 4.39Å; V260-T308 HydrophobicContact CG2-CG2 4.08Å; T308-A310 PolarHBondContact O-N 2.88Å; T308-R321 PolarHBondContact O-NH2 3.4Å
309R93.8Very high95.7Very high74 Ų7453.7 Ų53.728%0.27930%0.304SS..PPolyproline II helixtrans-63.1130171.3-169.6-172.1-64.2168.67.8109.3F255 N259 E313 F318F255-R309 PolarHBondContact O-NH2 3.44Å; N259-R309 PolarHBondContact O-N 3.24Å; R309-E313 WeakPolarHBondContact CA-OE2 3.16Å; R309-E313 WeakPolarHBondContact CD-O 3.28Å; R309-E313 HydrophobicContact CG-CB 4.12Å; R309-F318 HydrophobicContact CB-CD1 3.98Å; R309-F318 HydrophobicContact CB-CE1 4.04Å; R309-F318 HydrophobicContact CB-CG 4.32Å; R309-F318 HydrophobicContact CB-CZ 4.44Å; R309-F318 HydrophobicContact CG-CB 4.38Å; R309-F318 HydrophobicContact CG-CD1 4.14Å; R309-F318 HydrophobicContact CG-CG 4.26Å
310A93.4Very high95.7Very high55 Ų5556.1 Ų56.146%0.45532%0.321SS..PPolyproline II helixtrans-75.9161177.900000111.4T308 G312 E313T308-A310 PolarHBondContact O-N 2.88Å; A310-G312 PolarHBondContact O-N 3.01Å; A310-E313 HydrophobicContact CB-CB 3.99Å; A310-E313 PolarHBondContact N-OE2 3.46Å; A310-E313 WeakPolarHBondContact O-CB 3.28Å; A310-E313 PolarHBondContact O-N 2.93Å; A310-E313 VanDerWaalsContact O-N 3.13Å
311E92Very high95.7Very high207 Ų20757.8 Ų57.897%0.96732%0.324SS*.THydrogen-bonded Turntrans-62.5127.8176.4-167.1173.1-174.100110.4E313E311-E313 PolarHBondContact O-N 2.77Å
312G92.4Very high95.6Very high81 Ų8157.8 Ų57.884%0.83532%0.324SS*.THydrogen-bonded Turntrans74.4-4.3-175.600000116A310 N314A310-G312 PolarHBondContact O-N 3.01Å; G312-N314 PolarHBondContact O-N 2.81Å
313E93.9Very high95.6Very high27 Ų2755 Ų5513%0.12631%0.313CS..  trans-72.8124.9179.5-172.5-177.7-144.600110.9R309 A310 E311 Q317 F318 R321R309-E313 WeakPolarHBondContact CA-OE2 3.16Å; R309-E313 WeakPolarHBondContact CD-O 3.28Å; R309-E313 HydrophobicContact CG-CB 4.12Å; A310-E313 HydrophobicContact CB-CB 3.99Å; A310-E313 PolarHBondContact N-OE2 3.46Å; A310-E313 WeakPolarHBondContact O-CB 3.28Å; A310-E313 PolarHBondContact O-N 2.93Å; A310-E313 VanDerWaalsContact O-N 3.13Å; E311-E313 PolarHBondContact O-N 2.77Å; E313-Q317 HydrophobicContact CG-CB 3.68Å; E313-F318 HydrophobicContact CG-CB 4.1Å; E313-F318 WeakPolarHBondContact OE1-CA 3.47Å; E313-F318 PolarHBondContact OE1-N 3.46Å; E313-R321 IonicContact OE1-CZ 3.57Å; E313-R321 IonicContact OE1-NE 2.79Å; E313-R321 PolarHBondContact OE1-NE 3.11Å; E313-R321 IonicContact OE1-NH2 2.87Å; E313-R321 PolarHBondContact OE1-NH2 3Å; E313-R321 IonicContact OE2-CZ 3.14Å; E313-R321 IonicContact OE2-NE 3.74Å; E313-R321 IonicContact OE2-NH2 2.77Å; E313-R321 PolarHBondContact OE2-NH2 3.34Å
314N94.3Very high95.5Very high77 Ų7761.1 Ų61.141%0.41234%0.34SS..  trans-78.5164.8176.171.843.3000111.7G312 I316 Q317 F318G312-N314 PolarHBondContact O-N 2.81Å; N314-I316 PolarHBondContact O-N 3.26Å; N314-I316 WeakPolarHBondContact OD1-CB 3.29Å; N314-I316 PolarHBondContact OD1-N 3.37Å; N314-I316 VanDerWaalsContact OD1-N 3.07Å; N314-Q317 PolarHBondContact ND2-OE1 3.07Å; N314-Q317 PolarHBondContact O-N 2.98Å; N314-Q317 WeakPolarHBondContact OD1-CB 3.5Å; N314-Q317 WeakPolarHBondContact OD1-CG 3.45Å; N314-Q317 PolarHBondContact OD1-N 3.18Å; N314-F318 PolarHBondContact O-N 3.47Å
315S92.5Very high95.5Very high16 Ų1661.2 Ų61.211%0.11234%0.344CS..Hα-helixtrans-62-26.9-176.556.90000114E256 A319E256-S315 VanDerWaalsContact CG-CB 3.5Å; E256-S315 PolarHBondContact OE1-OG 2.96Å; S315-A319 VanDerWaalsContact O-CB 3.23Å; S315-A319 WeakPolarHBondContact O-CB 3.47Å; S315-A319 PolarHBondContact O-N 3.28Å
316I93.6Very high95.5Very high87 Ų8757.3 Ų57.345%0.44632%0.319SS..Hα-helixtrans-75.9-45.3179-59.9171.3000110.3K252 N314 F318 A319 S320K252-I316 HydrophobicContact CB-CG1 4.03Å; K252-I316 HydrophobicContact CD-CD1 4.18Å; K252-I316 HydrophobicContact CD-CG1 3.87Å; N314-I316 PolarHBondContact O-N 3.26Å; N314-I316 WeakPolarHBondContact OD1-CB 3.29Å; N314-I316 PolarHBondContact OD1-N 3.37Å; N314-I316 VanDerWaalsContact OD1-N 3.07Å; I316-F318 VanDerWaalsContact C-N 3.34Å; I316-A319 PolarHBondContact O-N 3.02Å; I316-S320 WeakPolarHBondContact O-CB 3.37Å; I316-S320 PolarHBondContact O-N 3.39Å
317Q95.6Very high95.5Very high101 Ų10154.4 Ų54.447%0.47230%0.3SS..Hα-helixtrans-60.8-45.4175-73168.6-28.300110.5E313 N314 S320 R321E313-Q317 HydrophobicContact CG-CB 3.68Å; N314-Q317 PolarHBondContact ND2-OE1 3.07Å; N314-Q317 PolarHBondContact O-N 2.98Å; N314-Q317 WeakPolarHBondContact OD1-CB 3.5Å; N314-Q317 WeakPolarHBondContact OD1-CG 3.45Å; N314-Q317 PolarHBondContact OD1-N 3.18Å; Q317-S320 WeakPolarHBondContact O-CB 3.49Å; Q317-S320 PolarHBondContact O-N 3.33Å; Q317-R321 WeakPolarHBondContact O-CB 3.46Å; Q317-R321 PolarHBondContact O-N 2.77Å
318F96.6Very high95.6Very high0 Ų061.7 Ų61.70%033%0.33CS..Hα-helixtrans-62.2-46.3177-176.1-149.5000112F255 I261 M307 R309 E313 N314 I316 S320 R321 V322F255-F318 HydrophobicContact CB-CD1 4.13Å; F255-F318 AromaticContact CD1-CD1 3.76Å; F255-F318 HydrophobicContact CD1-CD1 3.76Å; F255-F318 AromaticContact CD1-CE1 3.98Å; F255-F318 HydrophobicContact CD1-CE1 3.98Å; F255-F318 HydrophobicContact CD1-CG 4.18Å; F255-F318 HydrophobicContact CG-CD1 4.44Å; I261-F318 HydrophobicContact CB-CE1 4.49Å; I261-F318 HydrophobicContact CB-CZ 3.92Å; I261-F318 HydrophobicContact CG1-CE1 3.55Å; I261-F318 HydrophobicContact CG1-CE2 4.49Å; I261-F318 HydrophobicContact CG1-CZ 3.47Å; I261-F318 VanDerWaalsContact CG1-CZ 3.47Å; M307-F318 HydrophobicContact CB-CE2 4.12Å; M307-F318 WeakPolarHBondContact O-CZ 3.49Å; R309-F318 HydrophobicContact CB-CD1 3.98Å; R309-F318 HydrophobicContact CB-CE1 4.04Å; R309-F318 HydrophobicContact CB-CG 4.32Å; R309-F318 HydrophobicContact CB-CZ 4.44Å; R309-F318 HydrophobicContact CG-CB 4.38Å; R309-F318 HydrophobicContact CG-CD1 4.14Å; R309-F318 HydrophobicContact CG-CG 4.26Å; E313-F318 HydrophobicContact CG-CB 4.1Å; E313-F318 WeakPolarHBondContact OE1-CA 3.47Å; E313-F318 PolarHBondContact OE1-N 3.46Å; N314-F318 PolarHBondContact O-N 3.47Å; I316-F318 VanDerWaalsContact C-N 3.34Å; F318-S320 VanDerWaalsContact C-N 3.31Å; F318-S320 PolarHBondContact O-N 2.98Å; F318-R321 PolarHBondContact O-N 3.25Å; F318-V322 HydrophobicContact CD2-CG2 3.87Å; F318-V322 HydrophobicContact CE2-CG2 3.58Å; F318-V322 HydrophobicContact CZ-CG2 4.26Å; F318-V322 WeakPolarHBondContact O-CG2 3.31Å; F318-V322 PolarHBondContact O-N 3.38Å
319A95.9Very high95.7Very high3 Ų359.3 Ų59.33%0.02532%0.32CS..Hα-helixtrans-58.9-42.7175.400000112F250 F255 S315 I316 V322 K323F250-A319 HydrophobicContact CB-CB 4.14Å; F255-A319 HydrophobicContact CB-CB 4.4Å; F255-A319 HydrophobicContact CD1-CB 4.14Å; F255-A319 HydrophobicContact CD2-CB 3.47Å; F255-A319 VanDerWaalsContact CD2-CB 3.47Å; F255-A319 HydrophobicContact CE1-CB 4.31Å; F255-A319 HydrophobicContact CE2-CB 3.67Å; F255-A319 HydrophobicContact CG-CB 3.73Å; F255-A319 HydrophobicContact CZ-CB 4.09Å; S315-A319 VanDerWaalsContact O-CB 3.23Å; S315-A319 WeakPolarHBondContact O-CB 3.47Å; S315-A319 PolarHBondContact O-N 3.28Å; I316-A319 PolarHBondContact O-N 3.02Å; A319-V322 PolarHBondContact O-N 3.11Å; A319-K323 VanDerWaalsContact O-CB 3.27Å; A319-K323 WeakPolarHBondContact O-CB 2.99Å; A319-K323 PolarHBondContact O-N 3.38Å
320S96Very high95.8Very high52 Ų5256 Ų5636%0.36431%0.309SS..Hα-helixtrans-63.7-45177.8-169.90000111.9I316 Q317 F318 V322 K323 K324I316-S320 WeakPolarHBondContact O-CB 3.37Å; I316-S320 PolarHBondContact O-N 3.39Å; Q317-S320 WeakPolarHBondContact O-CB 3.49Å; Q317-S320 PolarHBondContact O-N 3.33Å; F318-S320 VanDerWaalsContact C-N 3.31Å; F318-S320 PolarHBondContact O-N 2.98Å; S320-V322 PolarHBondContact O-N 2.9Å; S320-K323 WeakPolarHBondContact O-CB 3.25Å; S320-K323 PolarHBondContact O-N 3.04Å; S320-K324 WeakPolarHBondContact O-CB 3.49Å; S320-K324 PolarHBondContact O-N 2.84Å
321R96.9Very high95.9Very high86 Ų8656.6 Ų56.633%0.32532%0.32SS..Hα-helixtrans-62.1-42.5177.7-172.8172.152.494.8-5112.2M307 T308 E313 Q317 F318 A325M307-R321 HydrophobicContact CE-CB 4.46Å; M307-R321 HydrophobicContact CE-CG 3.68Å; T308-R321 PolarHBondContact O-NH2 3.4Å; E313-R321 IonicContact OE1-CZ 3.57Å; E313-R321 IonicContact OE1-NE 2.79Å; E313-R321 PolarHBondContact OE1-NE 3.11Å; E313-R321 IonicContact OE1-NH2 2.87Å; E313-R321 PolarHBondContact OE1-NH2 3Å; E313-R321 IonicContact OE2-CZ 3.14Å; E313-R321 IonicContact OE2-NE 3.74Å; E313-R321 IonicContact OE2-NH2 2.77Å; E313-R321 PolarHBondContact OE2-NH2 3.34Å; Q317-R321 WeakPolarHBondContact O-CB 3.46Å; Q317-R321 PolarHBondContact O-N 2.77Å; F318-R321 PolarHBondContact O-N 3.25Å; R321-A325 PolarHBondContact O-N 3.32Å; R321-A325 VanDerWaalsContact O-N 3.08Å
322V97.6Very high96.1Very high0 Ų047.3 Ų47.30%028%0.277CS..Hα-helixtrans-67.3-44.1175.7174.80000111.3V161 F250 F255 I261 P263 M307 F318 A319 S320 K324 A325 I326V161-V322 HydrophobicContact CG1-CG1 4.22Å; F250-V322 HydrophobicContact CE2-CG1 4.24Å; F255-V322 HydrophobicContact CE1-CB 3.8Å; F255-V322 HydrophobicContact CE1-CG1 3.99Å; F255-V322 HydrophobicContact CE1-CG2 3.87Å; F255-V322 HydrophobicContact CZ-CB 4.26Å; F255-V322 HydrophobicContact CZ-CG1 4.22Å; I261-V322 HydrophobicContact CG2-CG1 3.99Å; I261-V322 HydrophobicContact CG2-CG2 4.37Å; P263-V322 HydrophobicContact CB-CG1 3.97Å; P263-V322 HydrophobicContact CG-CG1 4.13Å; M307-V322 HydrophobicContact CB-CG2 4.22Å; M307-V322 HydrophobicContact CE-CG2 4.01Å; M307-V322 HydrophobicContact SD-CB 4.39Å; M307-V322 HydrophobicContact SD-CG2 3.83Å; F318-V322 HydrophobicContact CD2-CG2 3.87Å; F318-V322 HydrophobicContact CE2-CG2 3.58Å; F318-V322 HydrophobicContact CZ-CG2 4.26Å; F318-V322 WeakPolarHBondContact O-CG2 3.31Å; F318-V322 PolarHBondContact O-N 3.38Å; A319-V322 PolarHBondContact O-N 3.11Å; S320-V322 PolarHBondContact O-N 2.9Å; V322-K324 VanDerWaalsContact C-N 3.33Å; V322-K324 PolarHBondContact O-N 3.13Å; V322-A325 PolarHBondContact O-N 3.16Å; V322-I326 HydrophobicContact CG1-CD1 4.07Å; V322-I326 WeakPolarHBondContact O-CG1 3.34Å; V322-I326 PolarHBondContact O-N 3.17Å
323K97.3Very high96.1Very high7 Ų747 Ų473%0.0326%0.258CS..Hα-helixtrans-55.2-48.8174.7-176.1-164.562.3159.80111V247 M248 F250 A319 S320 A325 I326 A327 E334 L335V247-K323 HydrophobicContact CB-CG 4.31Å; V247-K323 HydrophobicContact CG1-CG 3.68Å; M248-K323 WeakPolarHBondContact O-CD 3.37Å; F250-K323 HydrophobicContact CD1-CB 4.35Å; F250-K323 HydrophobicContact CD1-CG 4.12Å; F250-K323 HydrophobicContact CD2-CB 3.69Å; F250-K323 HydrophobicContact CD2-CG 4.34Å; F250-K323 HydrophobicContact CE1-CB 4.5Å; F250-K323 HydrophobicContact CE1-CG 4.19Å; F250-K323 HydrophobicContact CE2-CB 3.86Å; F250-K323 HydrophobicContact CE2-CG 4.41Å; F250-K323 HydrophobicContact CG-CB 3.97Å; F250-K323 HydrophobicContact CG-CG 4.23Å; F250-K323 HydrophobicContact CZ-CB 4.28Å; F250-K323 HydrophobicContact CZ-CG 4.34Å; A319-K323 VanDerWaalsContact O-CB 3.27Å; A319-K323 WeakPolarHBondContact O-CB 2.99Å; A319-K323 PolarHBondContact O-N 3.38Å; S320-K323 WeakPolarHBondContact O-CB 3.25Å; S320-K323 PolarHBondContact O-N 3.04Å; K323-A325 VanDerWaalsContact C-N 3.34Å; K323-A325 PolarHBondContact O-N 2.85Å; K323-I326 PolarHBondContact O-N 2.97Å; K323-A327 WeakPolarHBondContact O-CB 3.39Å; K323-A327 PolarHBondContact O-N 3.22Å; K323-E334 HydrophobicContact CD-CG 4.37Å; K323-E334 WeakPolarHBondContact CE-OE1 3.38Å; K323-E334 IonicContact NZ-OE1 3.1Å; K323-E334 PolarHBondContact NZ-OE1 3.16Å; K323-L335 PolarHBondContact NZ-O 3.42Å
324K97.7Very high96.1Very high127 Ų12748.8 Ų48.855%0.55227%0.267SS*.Hα-helixtrans-61-40.5178.2-176.2168.5-173.9171.60112.5S320 V322 K328 E334S320-K324 WeakPolarHBondContact O-CB 3.49Å; S320-K324 PolarHBondContact O-N 2.84Å; V322-K324 VanDerWaalsContact C-N 3.33Å; V322-K324 PolarHBondContact O-N 3.13Å; K324-K328 VanDerWaalsContact O-CB 3.3Å; K324-K328 WeakPolarHBondContact O-CB 3.36Å; K324-K328 PolarHBondContact O-N 2.91Å; K324-E334 WeakPolarHBondContact CG-OE2 3.49Å
325A98.2Very high95.9Very high24 Ų2445.5 Ų45.520%0.19825%0.249CC..Hα-helixtrans-63.1-45.7175.900000111.9L304 M307 R321 V322 K323 K328 A329L304-A325 HydrophobicContact CD2-CB 3.82Å; L304-A325 WeakPolarHBondContact CD2-O 3.36Å; M307-A325 HydrophobicContact CE-CB 4.22Å; M307-A325 HydrophobicContact SD-CB 3.85Å; R321-A325 PolarHBondContact O-N 3.32Å; R321-A325 VanDerWaalsContact O-N 3.08Å; V322-A325 PolarHBondContact O-N 3.16Å; K323-A325 VanDerWaalsContact C-N 3.34Å; K323-A325 PolarHBondContact O-N 2.85Å; A325-K328 PolarHBondContact O-N 3.31Å; A325-A329 WeakPolarHBondContact O-CB 3.29Å; A325-A329 PolarHBondContact O-N 2.8Å
326I98.3Very high95.6Very high0 Ų052.3 Ų52.30%028%0.279CS..Hα-helixtrans-63.5-46.6176.7-70.1173.3000111.1V161 N163 V247 F250 P263 A265 L304 V322 K323 K328 A329 G330V161-I326 HydrophobicContact CG1-CD1 3.91Å; V161-I326 WeakPolarHBondContact O-CD1 3.19Å; N163-I326 HydrophobicContact CB-CG2 4.04Å; V247-I326 HydrophobicContact CG2-CG2 4.34Å; F250-I326 HydrophobicContact CE2-CD1 3.89Å; F250-I326 HydrophobicContact CZ-CD1 3.89Å; P263-I326 HydrophobicContact CB-CD1 3.93Å; P263-I326 HydrophobicContact CB-CG1 3.73Å; A265-I326 HydrophobicContact CB-CG2 4.07Å; A265-I326 WeakPolarHBondContact CB-O 3.44Å; L304-I326 HydrophobicContact CD1-CG1 4.49Å; V322-I326 HydrophobicContact CG1-CD1 4.07Å; V322-I326 WeakPolarHBondContact O-CG1 3.34Å; V322-I326 PolarHBondContact O-N 3.17Å; K323-I326 PolarHBondContact O-N 2.97Å; I326-K328 VanDerWaalsContact C-N 3.34Å; I326-K328 PolarHBondContact O-N 3.16Å; I326-A329 PolarHBondContact O-N 3.18Å; I326-G330 PolarHBondContact O-N 3.41Å
327A97.8Very high95.3Very high2 Ų253.7 Ų53.72%0.01728%0.279CS..Hα-helixtrans-59.5-45.8179.100000111.4V247 K323 G330 G331 L332 E334V247-A327 HydrophobicContact CB-CB 4.3Å; V247-A327 HydrophobicContact CG2-CB 3.91Å; K323-A327 WeakPolarHBondContact O-CB 3.39Å; K323-A327 PolarHBondContact O-N 3.22Å; A327-G330 PolarHBondContact O-N 3.07Å; A327-G331 PolarHBondContact O-N 3.46Å; A327-G331 VanDerWaalsContact O-N 3.08Å; A327-L332 HydrophobicContact CB-CB 4.5Å; A327-L332 PolarHBondContact O-N 3.48Å; A327-E334 HydrophobicContact CB-CB 4.24Å
328K98Very high94.9Very high182 Ų18251.3 Ų51.379%0.79127%0.27SS*.Hα-helixtrans-61.9-46.7176.6-175.1178.9178.8-178.40112.3K324 A325 I326 G331K324-K328 VanDerWaalsContact O-CB 3.3Å; K324-K328 WeakPolarHBondContact O-CB 3.36Å; K324-K328 PolarHBondContact O-N 2.91Å; A325-K328 PolarHBondContact O-N 3.31Å; I326-K328 VanDerWaalsContact C-N 3.34Å; I326-K328 PolarHBondContact O-N 3.16Å; K328-G331 PolarHBondContact O-N 2.8Å
329A97.7Very high94.3Very high37 Ų3751.3 Ų51.331%0.30627%0.27SS..Hα-helixtrans-66.1-37.9-178.700000112.7A265 L304 A325 I326 G331A265-A329 HydrophobicContact CB-CB 3.91Å; L304-A329 HydrophobicContact CD1-CB 4Å; L304-A329 HydrophobicContact CD2-CB 3.89Å; L304-A329 HydrophobicContact CG-CB 4.15Å; A325-A329 WeakPolarHBondContact O-CB 3.29Å; A325-A329 PolarHBondContact O-N 2.8Å; I326-A329 PolarHBondContact O-N 3.18Å; A329-G331 VanDerWaalsContact C-N 3.35Å
330G95.9Very high93.7Very high6 Ų654.4 Ų54.46%0.06228%0.284CS..Hα-helixtrans-83.5-2.8177.400000115.1K267 I326 A327 L332K267-G330 WeakPolarHBondContact CD-O 3.39Å; I326-G330 PolarHBondContact O-N 3.41Å; A327-G330 PolarHBondContact O-N 3.07Å; G330-L332 VanDerWaalsContact C-N 3.28Å; G330-L332 PolarHBondContact O-N 3.26Å
331G95.9Very high93.1Very high66 Ų6653.8 Ų53.868%0.6828%0.277SS*.THydrogen-bonded Turntrans59.538.8-171.800000112.7A327 K328 A329A327-G331 PolarHBondContact O-N 3.46Å; A327-G331 VanDerWaalsContact O-N 3.08Å; K328-G331 PolarHBondContact O-N 2.8Å; A329-G331 VanDerWaalsContact C-N 3.35Å
332L95Very high92.3Very high13 Ų1351.6 Ų51.67%0.06827%0.27CS..PPolyproline II helixtrans-103.2148.6-177.6-57.8175.9000110.6N163 N244 V247 K267 A327 G330 E334N163-L332 HydrophobicContact CB-CD1 4.39Å; N244-L332 WeakPolarHBondContact O-CD2 3.42Å; V247-L332 HydrophobicContact CG2-CB 3.85Å; V247-L332 HydrophobicContact CG2-CD1 3.44Å; V247-L332 VanDerWaalsContact CG2-CD1 3.44Å; V247-L332 HydrophobicContact CG2-CG 4.28Å; K267-L332 HydrophobicContact CD-CD2 3.7Å; K267-L332 VanDerWaalsContact NZ-CD2 3.34Å; A327-L332 HydrophobicContact CB-CB 4.5Å; A327-L332 PolarHBondContact O-N 3.48Å; G330-L332 VanDerWaalsContact C-N 3.28Å; G330-L332 PolarHBondContact O-N 3.26Å; L332-E334 PolarHBondContact O-N 3.34Å
333V92.9Very high91.4Very high73 Ų7358.8 Ų58.844%0.44230%0.297SS..EExtended strand (participates in β ladder)trans-71.5127.9174.1-179.20000109.7T245 S246 V247 L335T245-V333 PolarHBondContact O-N 3.08Å; T245-V333 VanDerWaalsContact O-N 3.1Å; S246-V333 CarbonylContact C-O 3.56Å; S246-V333 WeakPolarHBondContact CA-O 3.47Å; S246-V333 WeakPolarHBondContact CB-O 3.41Å; V247-V333 PolarHBondContact N-O 2.72Å; V333-L335 HydrophobicContact CG1-CD2 4.15Å
334E93.2Very high90.7Very high66 Ų6662.6 Ų62.631%0.30832%0.318SS..EExtended strand (participates in β ladder)trans-78.5124.5173.5-174.1179.9174.800109.9K323 K324 A327 L332K323-E334 HydrophobicContact CD-CG 4.37Å; K323-E334 WeakPolarHBondContact CE-OE1 3.38Å; K323-E334 IonicContact NZ-OE1 3.1Å; K323-E334 PolarHBondContact NZ-OE1 3.16Å; K324-E334 WeakPolarHBondContact CG-OE2 3.49Å; A327-E334 HydrophobicContact CB-CB 4.24Å; L332-E334 PolarHBondContact O-N 3.34Å
335L90.6Very high89.9Confident7 Ų761.2 Ų61.24%0.03732%0.322CS..  trans-115.2145.9173.8-64.4177.4000110.8R56 V247 M248 K323 V333 W337R56-L335 HydrophobicContact CG-CD1 3.95Å; V247-L335 PolarHBondContact O-N 3.03Å; M248-L335 HydrophobicContact CE-CD1 3.87Å; M248-L335 HydrophobicContact SD-CB 4.17Å; M248-L335 HydrophobicContact SD-CD1 3.78Å; K323-L335 PolarHBondContact NZ-O 3.42Å; V333-L335 HydrophobicContact CG1-CD2 4.15Å; L335-W337 VanDerWaalsContact C-N 3.35Å
336E87.3Confident89.1Confident159 Ų15961.9 Ų61.974%0.74332%0.323SS*.  trans-92-2.1174.8-59.7-165156.800112.7
337W87.7Confident88.4Confident117 Ų11769.1 Ų69.144%0.44335%0.354SS..SBendtrans-79.5140.3-175.3-60.7105.6000112.8V53 M248 M249 L335 G339 L341V53-W337 HydrophobicContact CG1-CB 4.44Å; V53-W337 HydrophobicContact CG2-CB 3.94Å; V53-W337 HydrophobicContact CG2-CD2 3.7Å; V53-W337 HydrophobicContact CG2-CG 3.37Å; M248-W337 HydrophobicContact SD-CB 4.4Å; M249-W337 WeakPolarHBondContact CB-O 3.43Å; M249-W337 PolarHBondContact N-O 3.4Å; L335-W337 VanDerWaalsContact C-N 3.35Å; W337-G339 PolarHBondContact O-N 3.33Å; W337-L341 HydrophobicContact CB-CD1 4.33Å; W337-L341 HydrophobicContact CD2-CD1 4.48Å; W337-L341 HydrophobicContact CE3-CD1 3.7Å; W337-L341 HydrophobicContact CZ3-CD1 4.43Å
338D86.6Confident87.9Confident51 Ų5179.3 Ų79.327%0.27339%0.392SS..  trans-73.8124.2173.7-172.1-23.5000110.4K251 M340 L341K251-D338 WeakPolarHBondContact CE-OD1 3.19Å; K251-D338 IonicContact NZ-OD1 2.71Å; K251-D338 PolarHBondContact NZ-OD1 2.82Å; K251-D338 IonicContact NZ-OD2 3.52Å; K251-D338 PolarHBondContact NZ-OD2 3.02Å; D338-M340 PolarHBondContact O-N 2.89Å; D338-M340 WeakPolarHBondContact OD1-CB 3.33Å; D338-M340 PolarHBondContact OD1-N 3.13Å; D338-L341 WeakPolarHBondContact O-CB 3.39Å; D338-L341 VanDerWaalsContact O-CG 3.3Å; D338-L341 WeakPolarHBondContact O-CG 3.33Å; D338-L341 PolarHBondContact O-N 3.36Å
339G83.3Confident87.3Confident0 Ų076 Ų760%038%0.384CS..G310 helixtrans-56.8-20.5175.900000114.8W337 L341 K342W337-G339 PolarHBondContact O-N 3.33Å; G339-L341 PolarHBondContact O-N 3.42Å; G339-K342 VanDerWaalsContact O-CB 3.22Å; G339-K342 WeakPolarHBondContact O-CB 3.37Å; G339-K342 PolarHBondContact O-N 2.71Å
340M83.7Confident86.6Confident68 Ų6877.9 Ų77.934%0.33539%0.391SS..G310 helixtrans-67-15.5174.6-71.4-60.6-6200113.8D338 K342 R343 N344D338-M340 PolarHBondContact O-N 2.89Å; D338-M340 WeakPolarHBondContact OD1-CB 3.33Å; D338-M340 PolarHBondContact OD1-N 3.13Å; M340-K342 PolarHBondContact O-N 3.19Å; M340-K342 VanDerWaalsContact O-N 3.11Å; M340-R343 PolarHBondContact O-N 3.36Å; M340-N344 WeakPolarHBondContact CE-ND2 3.44Å; M340-N344 PolarHBondContact O-N 3.23Å
341L83.7Confident86.2Confident39 Ų3978.6 Ų78.620%0.20439%0.393CS..G310 helixtrans-59.2-18.9171-67.7174.4000112.5W337 D338 G339 R343 N344 V346W337-L341 HydrophobicContact CB-CD1 4.33Å; W337-L341 HydrophobicContact CD2-CD1 4.48Å; W337-L341 HydrophobicContact CE3-CD1 3.7Å; W337-L341 HydrophobicContact CZ3-CD1 4.43Å; D338-L341 WeakPolarHBondContact O-CB 3.39Å; D338-L341 VanDerWaalsContact O-CG 3.3Å; D338-L341 WeakPolarHBondContact O-CG 3.33Å; D338-L341 PolarHBondContact O-N 3.36Å; G339-L341 PolarHBondContact O-N 3.42Å; L341-R343 PolarHBondContact O-N 3.23Å; L341-N344 WeakPolarHBondContact CA-O 3.43Å; L341-V346 HydrophobicContact CD2-CB 4.48Å; L341-V346 HydrophobicContact CD2-CG2 3.79Å
342K80Confident85.8Confident39 Ų3980.6 Ų80.617%0.1739%0.385CS..G310 helixtrans-54.8-32169-172.8176.4-173.7169.50113.5F57 C241 G339 M340F57-K342 HydrophobicContact CB-CD 4.34Å; F57-K342 HydrophobicContact CB-CG 4.23Å; F57-K342 HydrophobicContact CD1-CB 4Å; F57-K342 HydrophobicContact CD1-CD 3.67Å; F57-K342 HydrophobicContact CD1-CG 3.94Å; F57-K342 HydrophobicContact CD2-CB 3.88Å; F57-K342 HydrophobicContact CD2-CG 4.04Å; F57-K342 HydrophobicContact CE1-CB 3.85Å; F57-K342 HydrophobicContact CE1-CD 4.12Å; F57-K342 HydrophobicContact CE1-CG 4.3Å; F57-K342 HydrophobicContact CE2-CB 3.71Å; F57-K342 HydrophobicContact CE2-CG 4.39Å; F57-K342 HydrophobicContact CG-CB 4.02Å; F57-K342 HydrophobicContact CG-CD 3.99Å; F57-K342 HydrophobicContact CG-CG 3.81Å; F57-K342 HydrophobicContact CZ-CB 3.71Å; C241-K342 PolarHBondContact O-NZ 2.83Å; G339-K342 VanDerWaalsContact O-CB 3.22Å; G339-K342 WeakPolarHBondContact O-CB 3.37Å; G339-K342 PolarHBondContact O-N 2.71Å; M340-K342 PolarHBondContact O-N 3.19Å; M340-K342 VanDerWaalsContact O-N 3.11Å
343R78.7Confident85.5Confident152 Ų15284.4 Ų84.457%0.57441%0.405SS*.THydrogen-bonded Turntrans-122.8-34.5-171.3-63.3-177.7-179.8-174.60.1113S279 M340 L341S279-R343 PolarHBondContact OG-NH2 3.47Å; M340-R343 PolarHBondContact O-N 3.36Å; L341-R343 PolarHBondContact O-N 3.23Å
344N82.6Confident85.2Confident87 Ų8784 Ų8447%0.46540%0.398SS..SBendtrans-108.5141.5-175.1-65.2-25.9000110.2M340 L341M340-N344 WeakPolarHBondContact CE-ND2 3.44Å; M340-N344 PolarHBondContact O-N 3.23Å; L341-N344 WeakPolarHBondContact CA-O 3.43Å
345P81.1Confident85Confident98 Ų9886.9 Ų86.964%0.63641%0.406SS*.PPolyproline II helixtrans-63.7162168.830.6-34.9000110.3K347P345-K347 PolarHBondContact O-N 3.07Å
346V81.7Confident84.9Confident37 Ų3792.2 Ų92.222%0.22443%0.43CS..PPolyproline II helixtrans-53.2138.6169.2-178.10000109L341 R348 V350 I351 L398L341-V346 HydrophobicContact CD2-CB 4.48Å; L341-V346 HydrophobicContact CD2-CG2 3.79Å; V346-R348 PolarHBondContact O-N 3.34Å; V346-V350 HydrophobicContact CG1-CB 3.91Å; V346-V350 HydrophobicContact CG1-CG1 4.06Å; V346-I351 HydrophobicContact CB-CD1 4.35Å; V346-I351 HydrophobicContact CB-CG1 4.4Å; V346-I351 HydrophobicContact CG1-CG1 4.12Å; V346-L398 HydrophobicContact CG2-CD2 3.91Å
347K83.1Confident85Confident152 Ų15288.4 Ų88.466%0.66141%0.41SS*.PPolyproline II helixtrans-58.3137.3178.6-68.2-178.2180179.70109.8P345 D349 V350 I351P345-K347 PolarHBondContact O-N 3.07Å; K347-D349 PolarHBondContact O-N 2.81Å; K347-V350 HydrophobicContact CB-CG2 4.24Å; K347-V350 PolarHBondContact O-N 3.16Å; K347-I351 PolarHBondContact O-N 3.46Å
348R87.1Confident85Confident216 Ų21684.7 Ų84.782%0.81540%0.396SS*.Hα-helixtrans-56.3-35.8179.7-69.3-173.7178.6171.81112.3V346 V350 I351 E352V346-R348 PolarHBondContact O-N 3.34Å; R348-V350 VanDerWaalsContact C-N 3.27Å; R348-V350 PolarHBondContact O-N 2.8Å; R348-I351 PolarHBondContact O-N 3.07Å; R348-E352 WeakPolarHBondContact O-CB 3.38Å; R348-E352 PolarHBondContact O-N 3.44Å
349D85.3Confident85Confident114 Ų11484.7 Ų84.761%0.6140%0.4SS*.Hα-helixtrans-61.1-35.1178.9-47.6-28.2000112.7K347 N353K347-D349 PolarHBondContact O-N 2.81Å; D349-N353 VanDerWaalsContact O-CB 3.29Å; D349-N353 WeakPolarHBondContact O-CB 3.42Å; D349-N353 PolarHBondContact O-N 3.46Å; D349-N353 PolarHBondContact O-ND2 2.81Å
350V83.6Confident85.3Confident76 Ų7689 Ų8946%0.46142%0.42SS..Hα-helixtrans-70.4-44178.1178.40000110.1V346 K347 R348 E352 N353 Q354V346-V350 HydrophobicContact CG1-CB 3.91Å; V346-V350 HydrophobicContact CG1-CG1 4.06Å; K347-V350 HydrophobicContact CB-CG2 4.24Å; K347-V350 PolarHBondContact O-N 3.16Å; R348-V350 VanDerWaalsContact C-N 3.27Å; R348-V350 PolarHBondContact O-N 2.8Å; V350-E352 VanDerWaalsContact C-N 3.34Å; V350-N353 PolarHBondContact O-N 3.47Å; V350-Q354 PolarHBondContact O-N 3.12Å; V350-Q354 VanDerWaalsContact O-N 3.11Å
351I86.5Confident85.4Confident21 Ų2186.4 Ų86.411%0.10841%0.407CS..Hα-helixtrans-62-45.4176.5-59.4170.4000109.8V346 K347 R348 Q354 R355 Y400V346-I351 HydrophobicContact CB-CD1 4.35Å; V346-I351 HydrophobicContact CB-CG1 4.4Å; V346-I351 HydrophobicContact CG1-CG1 4.12Å; K347-I351 PolarHBondContact O-N 3.46Å; R348-I351 PolarHBondContact O-N 3.07Å; I351-Q354 PolarHBondContact O-N 3.05Å; I351-R355 WeakPolarHBondContact O-CG 3.3Å; I351-R355 PolarHBondContact O-N 3.08Å; I351-Y400 HydrophobicContact CD1-CD1 4.07Å; I351-Y400 HydrophobicContact CD1-CD2 3.94Å; I351-Y400 HydrophobicContact CD1-CE2 4.47Å; I351-Y400 HydrophobicContact CD1-CG 3.72Å; I351-Y400 HydrophobicContact CG1-CG 4.28Å; I351-Y400 HydrophobicContact CG2-CD1 3.91Å; I351-Y400 HydrophobicContact CG2-CG 4.28Å
352E88.9Confident85.5Confident107 Ų10785.4 Ų85.450%0.540%0.402SS..Hα-helixtrans-67.5-36.8-179.6-165.758.6-152.300112R348 V350 Q354 R355 K356R348-E352 WeakPolarHBondContact O-CB 3.38Å; R348-E352 PolarHBondContact O-N 3.44Å; V350-E352 VanDerWaalsContact C-N 3.34Å; E352-Q354 VanDerWaalsContact C-N 3.35Å; E352-Q354 PolarHBondContact O-N 2.88Å; E352-R355 PolarHBondContact O-N 2.69Å; E352-R355 IonicContact OE2-NH1 3.91Å; E352-K356 VanDerWaalsContact O-CB 3.26Å; E352-K356 WeakPolarHBondContact O-CB 3.29Å; E352-K356 PolarHBondContact O-N 2.83Å
353N88.3Confident85.7Confident94 Ų9489.8 Ų89.850%0.50342%0.421SS..Hα-helixtrans-64.2-38173.9-76.7-19.7000112.5D349 V350 K356 K357D349-N353 VanDerWaalsContact O-CB 3.29Å; D349-N353 WeakPolarHBondContact O-CB 3.42Å; D349-N353 PolarHBondContact O-N 3.46Å; D349-N353 PolarHBondContact O-ND2 2.81Å; V350-N353 PolarHBondContact O-N 3.47Å; N353-K356 PolarHBondContact O-N 2.82Å; N353-K357 WeakPolarHBondContact O-CG 3.47Å; N353-K357 PolarHBondContact O-N 2.71Å; N353-K357 VanDerWaalsContact O-N 3.07Å
354Q85.4Confident85.9Confident64 Ų6487.4 Ų87.430%0.29942%0.415SS..Hα-helixtrans-66.2-45.8173.7-70.1-65.8-0.200111.2Y21 V350 I351 E352 K356 K357 Y358Y21-Q354 PolarHBondContact OH-NE2 2.71Å; Y21-Q354 PolarHBondContact OH-OE1 3.38Å; V350-Q354 PolarHBondContact O-N 3.12Å; V350-Q354 VanDerWaalsContact O-N 3.11Å; I351-Q354 PolarHBondContact O-N 3.05Å; E352-Q354 VanDerWaalsContact C-N 3.35Å; E352-Q354 PolarHBondContact O-N 2.88Å; Q354-K356 VanDerWaalsContact C-N 3.27Å; Q354-K356 PolarHBondContact O-N 2.72Å; Q354-K357 PolarHBondContact O-N 3.14Å; Q354-Y358 PolarHBondContact O-N 3.36Å
355R89Confident85.7Confident126 Ų12683.4 Ų83.448%0.47539%0.393SS..Hα-helixtrans-58.7-39.6174.5-72.3173.4173.8-179.3-3.6112.5I351 E352 Y358 S359I351-R355 WeakPolarHBondContact O-CG 3.3Å; I351-R355 PolarHBondContact O-N 3.08Å; E352-R355 PolarHBondContact O-N 2.69Å; E352-R355 IonicContact OE2-NH1 3.91Å; R355-Y358 PolarHBondContact O-N 3.28Å; R355-S359 VanDerWaalsContact O-CB 3.29Å; R355-S359 WeakPolarHBondContact O-CB 3.2Å; R355-S359 PolarHBondContact O-N 2.79Å
356K90Very high85.3Confident120 Ų12080.5 Ų80.552%0.52237%0.371SS..Hα-helixtrans-64-46177.7-171.7-175.6179.5-1610111.2E352 N353 Q354 Y358 S359 E360E352-K356 VanDerWaalsContact O-CB 3.26Å; E352-K356 WeakPolarHBondContact O-CB 3.29Å; E352-K356 PolarHBondContact O-N 2.83Å; N353-K356 PolarHBondContact O-N 2.82Å; Q354-K356 VanDerWaalsContact C-N 3.27Å; Q354-K356 PolarHBondContact O-N 2.72Å; K356-Y358 VanDerWaalsContact C-N 3.35Å; K356-Y358 PolarHBondContact O-N 2.84Å; K356-S359 CarbonylContact O-C 3.45Å; K356-S359 WeakPolarHBondContact O-CB 3.44Å; K356-S359 PolarHBondContact O-N 3.25Å; K356-S359 VanDerWaalsContact O-N 3.16Å; K356-E360 WeakPolarHBondContact CE-OE1 3.11Å; K356-E360 IonicContact NZ-OE1 3.7Å; K356-E360 WeakPolarHBondContact O-CG 3.42Å; K356-E360 PolarHBondContact O-N 2.87Å
357K88Confident84.7Confident78 Ų7885.6 Ų85.634%0.33939%0.392SS..Hα-helixtrans-59.4-45.8176.8-73.8171.6174.5170.20111.9I20 Y21 N353 Q354 S359 E360 R361I20-K357 HydrophobicContact CG2-CB 3.83Å; I20-K357 HydrophobicContact CG2-CD 4.28Å; Y21-K357 HydrophobicContact CE1-CD 3.76Å; Y21-K357 VanDerWaalsContact CE1-NZ 3.27Å; Y21-K357 WeakPolarHBondContact OH-CD 3.49Å; Y21-K357 PolarHBondContact OH-NZ 2.85Å; N353-K357 WeakPolarHBondContact O-CG 3.47Å; N353-K357 PolarHBondContact O-N 2.71Å; N353-K357 VanDerWaalsContact O-N 3.07Å; Q354-K357 PolarHBondContact O-N 3.14Å; K357-S359 VanDerWaalsContact C-N 3.35Å; K357-E360 PolarHBondContact O-N 2.91Å; K357-R361 PolarHBondContact O-N 2.79Å; K357-R361 VanDerWaalsContact O-N 3.1Å
358Y88.3Confident83.6Confident39 Ų3983.3 Ų83.315%0.15338%0.384CS..Hα-helixtrans-65.5-39.2175.1-176.8-114.7000112.1D36 F40 Q354 R355 K356 E360 R361 I362D36-Y358 HydrophobicContact CB-CE2 4.03Å; D36-Y358 WeakPolarHBondContact CB-OH 3.16Å; F40-Y358 HydrophobicContact CE2-CD1 4.38Å; F40-Y358 AromaticContact CE2-CD2 3.66Å; F40-Y358 HydrophobicContact CE2-CD2 3.66Å; F40-Y358 HydrophobicContact CE2-CE1 4.2Å; F40-Y358 AromaticContact CE2-CE2 3.48Å; F40-Y358 HydrophobicContact CE2-CE2 3.48Å; F40-Y358 VanDerWaalsContact CE2-CE2 3.48Å; F40-Y358 HydrophobicContact CE2-CG 4.11Å; F40-Y358 AromaticContact CE2-CZ 3.74Å; F40-Y358 AromaticContact CZ-CD2 3.71Å; F40-Y358 HydrophobicContact CZ-CD2 3.71Å; F40-Y358 HydrophobicContact CZ-CE2 4.03Å; F40-Y358 HydrophobicContact CZ-CG 4.04Å; Q354-Y358 PolarHBondContact O-N 3.36Å; R355-Y358 PolarHBondContact O-N 3.28Å; K356-Y358 VanDerWaalsContact C-N 3.35Å; K356-Y358 PolarHBondContact O-N 2.84Å; Y358-E360 VanDerWaalsContact C-N 3.29Å; Y358-E360 PolarHBondContact O-N 3.35Å; Y358-R361 WeakPolarHBondContact O-CB 3.45Å; Y358-R361 PolarHBondContact O-N 2.98Å; Y358-I362 HydrophobicContact CD1-CG1 4.46Å; Y358-I362 HydrophobicContact CE1-CD1 4.39Å; Y358-I362 HydrophobicContact CE1-CG1 4.02Å; Y358-I362 HydrophobicContact CE2-CD1 4.24Å; Y358-I362 HydrophobicContact CE2-CG1 4.3Å; Y358-I362 PolarHBondContact O-N 3.26Å
359S87.6Confident82.2Confident51 Ų5174.7 Ų74.736%0.35735%0.354SS..Hα-helixtrans-61.5-36173.8179.70000112.6R355 K356 K357 I362 K363R355-S359 VanDerWaalsContact O-CB 3.29Å; R355-S359 WeakPolarHBondContact O-CB 3.2Å; R355-S359 PolarHBondContact O-N 2.79Å; K356-S359 CarbonylContact O-C 3.45Å; K356-S359 WeakPolarHBondContact O-CB 3.44Å; K356-S359 PolarHBondContact O-N 3.25Å; K356-S359 VanDerWaalsContact O-N 3.16Å; K357-S359 VanDerWaalsContact C-N 3.35Å; S359-I362 PolarHBondContact O-N 2.72Å; S359-K363 WeakPolarHBondContact O-CG 3.24Å; S359-K363 PolarHBondContact O-N 2.99Å
360E87.8Confident80.7Confident90 Ų9073 Ų7342%0.42135%0.345SS..Hα-helixtrans-66.4-39.9175-74.2167.9-179.900111.2K356 K357 Y358 K363 K364K356-E360 WeakPolarHBondContact CE-OE1 3.11Å; K356-E360 IonicContact NZ-OE1 3.7Å; K356-E360 WeakPolarHBondContact O-CG 3.42Å; K356-E360 PolarHBondContact O-N 2.87Å; K357-E360 PolarHBondContact O-N 2.91Å; Y358-E360 VanDerWaalsContact C-N 3.29Å; Y358-E360 PolarHBondContact O-N 3.35Å; E360-K363 PolarHBondContact O-N 3.34Å; E360-K364 WeakPolarHBondContact O-CG 3.38Å; E360-K364 PolarHBondContact O-N 3.33Å
361R86.2Confident79.2Confident14 Ų1476.4 Ų76.45%0.05336%0.361CS..Hα-helixtrans-57.8-49.8172.2-179.5179.817474.14.7111.7K19 E23 P25 D36 K357 Y358 K363 K364 M365K19-R361 WeakPolarHBondContact O-CD 3.43Å; K19-R361 PolarHBondContact O-NH1 3.44Å; E23-R361 PolarHBondContact O-NH1 3.33Å; P25-R361 HydrophobicContact CB-CG 4.28Å; P25-R361 HydrophobicContact CG-CG 4.17Å; D36-R361 IonicContact OD2-CZ 3.76Å; D36-R361 IonicContact OD2-NE 3.47Å; D36-R361 PolarHBondContact OD2-NE 2.75Å; D36-R361 VanDerWaalsContact OD2-NE 3.13Å; D36-R361 IonicContact OD2-NH2 3.07Å; K357-R361 PolarHBondContact O-N 2.79Å; K357-R361 VanDerWaalsContact O-N 3.1Å; Y358-R361 WeakPolarHBondContact O-CB 3.45Å; Y358-R361 PolarHBondContact O-N 2.98Å; R361-K363 VanDerWaalsContact C-N 3.32Å; R361-K363 PolarHBondContact O-N 3.11Å; R361-K364 PolarHBondContact O-N 3.38Å; R361-M365 PolarHBondContact O-N 3.2Å
362I85.3Confident77Confident19 Ų1981 Ų8110%0.09738%0.384CS..Hα-helixtrans-63.1-37.1178.1-63.1-62.1000112.1L29 F33 Y358 S359 M365 H366L29-I362 HydrophobicContact CD1-CG2 4.43Å; F33-I362 HydrophobicContact CD2-CD1 4.19Å; Y358-I362 HydrophobicContact CD1-CG1 4.46Å; Y358-I362 HydrophobicContact CE1-CD1 4.39Å; Y358-I362 HydrophobicContact CE1-CG1 4.02Å; Y358-I362 HydrophobicContact CE2-CD1 4.24Å; Y358-I362 HydrophobicContact CE2-CG1 4.3Å; Y358-I362 PolarHBondContact O-N 3.26Å; S359-I362 PolarHBondContact O-N 2.72Å; I362-M365 WeakPolarHBondContact O-CB 3.47Å; I362-M365 PolarHBondContact O-N 3.39Å; I362-H366 PolarHBondContact O-N 3.46Å
363K84.8Confident74.9Confident130 Ų13084.2 Ų84.257%0.56540%0.399SS*.Hα-helixtrans-66-39.4177.1-77.9178179.6-173.30113.1S359 E360 R361 M365 H366 Q367S359-K363 WeakPolarHBondContact O-CG 3.24Å; S359-K363 PolarHBondContact O-N 2.99Å; E360-K363 PolarHBondContact O-N 3.34Å; R361-K363 VanDerWaalsContact C-N 3.32Å; R361-K363 PolarHBondContact O-N 3.11Å; K363-M365 VanDerWaalsContact C-N 3.26Å; K363-M365 PolarHBondContact O-N 3.43Å; K363-H366 PolarHBondContact O-N 3.4Å; K363-Q367 PolarHBondContact O-N 3.06Å; K363-Q367 VanDerWaalsContact O-N 3.16Å
364K83.2Confident73Confident102 Ų10287 Ų8744%0.44341%0.414SS..Hα-helixtrans-58.9-41.7176-74.4-177.3173.8-165.70111.3E24 P25 E360 R361 H366 Q367 E368E24-K364 IonicContact OE1-NZ 4Å; P25-K364 HydrophobicContact CG-CB 4.29Å; E360-K364 WeakPolarHBondContact O-CG 3.38Å; E360-K364 PolarHBondContact O-N 3.33Å; R361-K364 PolarHBondContact O-N 3.38Å; K364-H366 PolarHBondContact O-N 3.29Å; K364-Q367 PolarHBondContact O-N 3.09Å; K364-E368 PolarHBondContact O-N 3.49Å
365M77.9Confident71.4Confident3 Ų391.9 Ų91.92%0.01544%0.437CS..Hα-helixtrans-62.6-40.4175.9-66.3-16967.500113.6P25 L29 I32 R361 I362 K363 Q367 E368 N369P25-M365 HydrophobicContact CB-CE 4.48Å; P25-M365 HydrophobicContact CB-CG 3.33Å; P25-M365 HydrophobicContact CB-SD 3.65Å; P25-M365 HydrophobicContact CG-CG 3.38Å; P25-M365 HydrophobicContact CG-SD 4.33Å; L29-M365 HydrophobicContact CB-CE 4.16Å; L29-M365 HydrophobicContact CD1-CB 3.81Å; L29-M365 HydrophobicContact CD1-CE 3.88Å; L29-M365 HydrophobicContact CD1-CG 4.46Å; L29-M365 HydrophobicContact CD1-SD 3.83Å; I32-M365 HydrophobicContact CB-CE 3.76Å; I32-M365 HydrophobicContact CB-SD 4.01Å; I32-M365 HydrophobicContact CD1-CE 3.21Å; I32-M365 HydrophobicContact CD1-SD 4.03Å; I32-M365 HydrophobicContact CG1-CE 3.97Å; I32-M365 HydrophobicContact CG2-CE 4.05Å; I32-M365 HydrophobicContact CG2-SD 3.61Å; R361-M365 PolarHBondContact O-N 3.2Å; I362-M365 WeakPolarHBondContact O-CB 3.47Å; I362-M365 PolarHBondContact O-N 3.39Å; K363-M365 VanDerWaalsContact C-N 3.26Å; K363-M365 PolarHBondContact O-N 3.43Å; M365-Q367 VanDerWaalsContact C-N 3.33Å; M365-Q367 PolarHBondContact O-N 2.95Å; M365-E368 PolarHBondContact O-N 2.98Å; M365-N369 PolarHBondContact O-N 3.13Å; M365-N369 VanDerWaalsContact O-N 3.08Å
366H73.3Confident69.7Low38 Ų3891.8 Ų91.818%0.17644%0.442CS..Hα-helixtrans-63.7-42.1179.2-168.122.8000111.3I362 K363 K364 E368 N369 D370I362-H366 PolarHBondContact O-N 3.46Å; K363-H366 PolarHBondContact O-N 3.4Å; K364-H366 PolarHBondContact O-N 3.29Å; H366-E368 VanDerWaalsContact C-N 3.27Å; H366-E368 PolarHBondContact O-N 3.01Å; H366-N369 CarbonylContact O-C 3.59Å; H366-N369 PolarHBondContact O-N 3.18Å; H366-N369 VanDerWaalsContact O-N 3.11Å; H366-D370 IonicContact CD2-OD2 3.17Å; H366-D370 IonicContact CE1-OD1 3.85Å; H366-D370 PolarHBondContact CE1-OD1 3.04Å; H366-D370 IonicContact CE1-OD2 3.9Å; H366-D370 PolarHBondContact CE1-OD2 3.49Å; H366-D370 IonicContact CG-OD2 2.68Å; H366-D370 IonicContact ND1-OD1 3.74Å; H366-D370 PolarHBondContact ND1-OD1 3.1Å; H366-D370 IonicContact ND1-OD2 3.68Å; H366-D370 PolarHBondContact ND1-OD2 3.38Å; H366-D370 IonicContact NE2-OD1 3.49Å; H366-D370 IonicContact NE2-OD2 3.79Å; H366-D370 PolarHBondContact O-N 3.21Å
367Q69.8Low67.8Low143 Ų14390.7 Ų90.767%0.66844%0.439SS*.Hα-helixtrans-65.2-29.4177.6-68.8178.9-21.600113.4K363 K364 M365K363-Q367 PolarHBondContact O-N 3.06Å; K363-Q367 VanDerWaalsContact O-N 3.16Å; K364-Q367 PolarHBondContact O-N 3.09Å; M365-Q367 VanDerWaalsContact C-N 3.33Å; M365-Q367 PolarHBondContact O-N 2.95Å
368E60.3Low66.2Low104 Ų10492.9 Ų92.949%0.48645%0.45SS..Hα-helixtrans-74.1-34.3172.9-72176.4-174.300112.1K364 M365 H366K364-E368 PolarHBondContact O-N 3.49Å; M365-E368 PolarHBondContact O-N 2.98Å; H366-E368 VanDerWaalsContact C-N 3.27Å; H366-E368 PolarHBondContact O-N 3.01Å
369N56.6Low64.7Low36 Ų3698.2 Ų98.219%0.19347%0.474CS..Hα-helixtrans-80.4-28.2177.6-80.90.4000114.1M365 H366 N371 I372M365-N369 PolarHBondContact O-N 3.13Å; M365-N369 VanDerWaalsContact O-N 3.08Å; H366-N369 CarbonylContact O-C 3.59Å; H366-N369 PolarHBondContact O-N 3.18Å; H366-N369 VanDerWaalsContact O-N 3.11Å; N369-N371 PolarHBondContact O-N 3.37Å; N369-I372 WeakPolarHBondContact O-CA 3.32Å; N369-I372 WeakPolarHBondContact O-CB 3.44Å; N369-I372 PolarHBondContact O-N 3.25Å
370D54.7Low62.9Low78 Ų7897.7 Ų97.742%0.41747%0.467SS..THydrogen-bonded Turntrans-69.21.8179.1-68.3-18.2000113.7H366 I372H366-D370 IonicContact CD2-OD2 3.17Å; H366-D370 IonicContact CE1-OD1 3.85Å; H366-D370 PolarHBondContact CE1-OD1 3.04Å; H366-D370 IonicContact CE1-OD2 3.9Å; H366-D370 PolarHBondContact CE1-OD2 3.49Å; H366-D370 IonicContact CG-OD2 2.68Å; H366-D370 IonicContact ND1-OD1 3.74Å; H366-D370 PolarHBondContact ND1-OD1 3.1Å; H366-D370 IonicContact ND1-OD2 3.68Å; H366-D370 PolarHBondContact ND1-OD2 3.38Å; H366-D370 IonicContact NE2-OD1 3.49Å; H366-D370 IonicContact NE2-OD2 3.79Å; H366-D370 PolarHBondContact O-N 3.21Å; D370-I372 PolarHBondContact O-N 3.26Å
371N51.1Low61.4Low148 Ų14897 Ų9779%0.79147%0.469SS*.THydrogen-bonded Turntrans-74.43.7156.6-78.4-34.2000112.9N369N369-N371 PolarHBondContact O-N 3.37Å
372I41.1Very low59.6Low117 Ų117104 Ų10460%0.650%0.496SS*.SBendtrans-133.8102.7178.8-54179000108.1N369 D370N369-I372 WeakPolarHBondContact O-CA 3.32Å; N369-I372 WeakPolarHBondContact O-CB 3.44Å; N369-I372 PolarHBondContact O-N 3.25Å; D370-I372 PolarHBondContact O-N 3.26Å
373E43.4Very low58Low174 Ų174106.6 Ų106.681%0.81351%0.513SS*.  trans28.3124.2164.9-66.3178.9172.100120.8E375E373-E375 PolarHBondContact O-N 3.3Å
374D49.2Very low56.3Low153 Ų153104.4 Ų104.482%0.81851%0.506SS*.THydrogen-bonded Turntrans-50.22.8-174.7-60.4-43.7000118.9
375E52Low54.6Low167 Ų167103.4 Ų103.478%0.7851%0.509SS*.THydrogen-bonded Turntrans-84.5-17.9-179.3-90-166.8166.900114.6E373E373-E375 PolarHBondContact O-N 3.3Å
376E54.2Low52.9Low123 Ų123110.3 Ų110.358%0.57555%0.545SS*.Hα-helixtrans-85.8-27.6-176.4-66.3-161.7153.600114.4E378 K379 L380E376-E378 VanDerWaalsContact C-N 3.33Å; E376-E378 PolarHBondContact O-N 3.25Å; E376-K379 PolarHBondContact O-N 3.32Å; E376-L380 PolarHBondContact O-N 2.94Å
377E49.1Very low51.2Low97 Ų97113 Ų11345%0.45356%0.561SS.*Hα-helixtrans-58.2-42.3-178.9-173.3178.3-174.600111.8K379 L380 V381E377-K379 VanDerWaalsContact C-N 3.34Å; E377-K379 PolarHBondContact O-N 3.37Å; E377-L380 PolarHBondContact O-N 2.85Å; E377-V381 WeakPolarHBondContact O-CG2 3.42Å; E377-V381 PolarHBondContact O-N 2.84Å; E377-V381 VanDerWaalsContact O-N 3.14Å
378E53.4Low49.5Very low124 Ų124113.7 Ų113.758%0.57956%0.561SS**Hα-helixtrans-67.7-33.5-176.7-148.5-163.7160.400112.6E376 R382E376-E378 VanDerWaalsContact C-N 3.33Å; E376-E378 PolarHBondContact O-N 3.25Å; E378-R382 WeakPolarHBondContact O-CG 3.17Å; E378-R382 PolarHBondContact O-N 3.22Å; E378-R382 IonicContact OE1-CZ 3.77Å; E378-R382 IonicContact OE1-NE 2.63Å; E378-R382 IonicContact OE1-NH2 2.64Å; E378-R382 PolarHBondContact OE1-NH2 3.08Å
379K56.9Low48.4Very low151 Ų151114.2 Ų114.266%0.65757%0.574SS**Hα-helixtrans-71.5-38177.2-78.2176.5-176.8160.40111.7E376 E377 T383E376-K379 PolarHBondContact O-N 3.32Å; E377-K379 VanDerWaalsContact C-N 3.34Å; E377-K379 PolarHBondContact O-N 3.37Å; K379-T383 PolarHBondContact O-N 3.42Å; K379-T383 VanDerWaalsContact O-N 3.12Å; K379-T383 PolarHBondContact O-OG1 3.21Å
380L50.7Low47.5Very low40 Ų40121.6 Ų121.621%0.20960%0.604CS.*Hα-helixtrans-72.2-44.6-177.4-157.389.9000111.9L29 E376 E377 R382 T383 L384L29-L380 HydrophobicContact CD2-CD1 3.46Å; L29-L380 VanDerWaalsContact CD2-CD1 3.46Å; L29-L380 HydrophobicContact CD2-CD2 3.74Å; L29-L380 HydrophobicContact CD2-CG 4.22Å; L29-L380 HydrophobicContact CG-CD1 4.16Å; E376-L380 PolarHBondContact O-N 2.94Å; E377-L380 PolarHBondContact O-N 2.85Å; L380-R382 VanDerWaalsContact C-N 3.29Å; L380-R382 PolarHBondContact O-N 3.46Å; L380-T383 WeakPolarHBondContact O-CB 3.48Å; L380-T383 PolarHBondContact O-N 3.36Å; L380-L384 HydrophobicContact CD2-CD1 4.14Å; L380-L384 HydrophobicContact CG-CD1 4.4Å; L380-L384 PolarHBondContact O-N 3.35Å
381V55.8Low46.6Very low77 Ų77129.8 Ų129.847%0.46763%0.629SS.*Hα-helixtrans-60.4-39.8177.2174.40000111E377 T385E377-V381 WeakPolarHBondContact O-CG2 3.42Å; E377-V381 PolarHBondContact O-N 2.84Å; E377-V381 VanDerWaalsContact O-N 3.14Å; V381-T385 WeakPolarHBondContact O-CB 3.25Å; V381-T385 PolarHBondContact O-N 3.3Å; V381-T385 PolarHBondContact O-OG1 3.46Å
382R49.2Very low45.7Very low160 Ų160131.8 Ų131.860%0.60463%0.631SS**Hα-helixtrans-62-42.5173-75179.7-171-162.16.8111.8E378 L380 T385 L386E378-R382 WeakPolarHBondContact O-CG 3.17Å; E378-R382 PolarHBondContact O-N 3.22Å; E378-R382 IonicContact OE1-CZ 3.77Å; E378-R382 IonicContact OE1-NE 2.63Å; E378-R382 IonicContact OE1-NH2 2.64Å; E378-R382 PolarHBondContact OE1-NH2 3.08Å; L380-R382 VanDerWaalsContact C-N 3.29Å; L380-R382 PolarHBondContact O-N 3.46Å; R382-T385 PolarHBondContact O-N 3.3Å; R382-L386 WeakPolarHBondContact O-CG 3.3Å; R382-L386 PolarHBondContact O-N 3.49Å; R382-L386 VanDerWaalsContact O-N 3.11Å
383T52.4Low45.3Very low74 Ų74136 Ų13645%0.45464%0.64SS.*Hα-helixtrans-66.9-44.1180-54.70000112.3K379 L380 T385 L386 L387K379-T383 PolarHBondContact O-N 3.42Å; K379-T383 VanDerWaalsContact O-N 3.12Å; K379-T383 PolarHBondContact O-OG1 3.21Å; L380-T383 WeakPolarHBondContact O-CB 3.48Å; L380-T383 PolarHBondContact O-N 3.36Å; T383-T385 VanDerWaalsContact C-N 3.28Å; T383-T385 PolarHBondContact O-N 2.95Å; T383-L386 WeakPolarHBondContact O-CB 3.46Å; T383-L386 PolarHBondContact O-N 3.02Å; T383-L386 VanDerWaalsContact O-N 3.16Å; T383-L387 PolarHBondContact O-N 3.47Å; T383-L387 VanDerWaalsContact O-N 3.13Å
384L47.8Very low44.6Very low83 Ų83138 Ų13844%0.43565%0.647SS.*Hα-helixtrans-64.7-32.4175.5-71.1170.3000112.4L380 L387L380-L384 HydrophobicContact CD2-CD1 4.14Å; L380-L384 HydrophobicContact CG-CD1 4.4Å; L380-L384 PolarHBondContact O-N 3.35Å; L384-L387 HydrophobicContact CD2-CD1 4.41Å; L384-L387 PolarHBondContact O-N 3.49Å
385T48.4Very low43.8Very low82 Ų82136 Ų13650%0.50364%0.64SS.*Hα-helixtrans-69.2-35.1174.8-53.60000111.8V381 R382 T383 L387 K388V381-T385 WeakPolarHBondContact O-CB 3.25Å; V381-T385 PolarHBondContact O-N 3.3Å; V381-T385 PolarHBondContact O-OG1 3.46Å; R382-T385 PolarHBondContact O-N 3.3Å; T383-T385 VanDerWaalsContact C-N 3.28Å; T383-T385 PolarHBondContact O-N 2.95Å; T385-L387 VanDerWaalsContact C-N 3.32Å; T385-K388 WeakPolarHBondContact O-CB 3.4Å; T385-K388 PolarHBondContact O-N 2.85Å
386L42.4Very low42.9Very low147 Ų147132.7 Ų132.777%0.7764%0.635SS**Hα-helixtrans-70.2-27.3175-70.1168.7000113.1R382 T383 K388R382-L386 WeakPolarHBondContact O-CG 3.3Å; R382-L386 PolarHBondContact O-N 3.49Å; R382-L386 VanDerWaalsContact O-N 3.11Å; T383-L386 WeakPolarHBondContact O-CB 3.46Å; T383-L386 PolarHBondContact O-N 3.02Å; T383-L386 VanDerWaalsContact O-N 3.16Å; L386-K388 VanDerWaalsContact C-N 3.25Å; L386-K388 PolarHBondContact O-N 3.35Å
387L37.4Very low42Very low96 Ų96137.2 Ų137.250%0.50365%0.647SS.*THydrogen-bonded Turntrans-77.4-4.2176-72.1167.5000113.8F33 T383 L384 T385 P389F33-L387 HydrophobicContact CE1-CD1 4.21Å; F33-L387 HydrophobicContact CE2-CD1 4.41Å; F33-L387 HydrophobicContact CZ-CD1 3.59Å; T383-L387 PolarHBondContact O-N 3.47Å; T383-L387 VanDerWaalsContact O-N 3.13Å; L384-L387 HydrophobicContact CD2-CD1 4.41Å; L384-L387 PolarHBondContact O-N 3.49Å; T385-L387 VanDerWaalsContact C-N 3.32Å; L387-P389 WeakPolarHBondContact O-CD 3.34Å
388K33.5Very low41.4Very low156 Ų156137 Ų13768%0.67865%0.649SS**SBendtrans-58.3115.2167.5-81-175177.41720108.2T385 L386 K390T385-K388 WeakPolarHBondContact O-CB 3.4Å; T385-K388 PolarHBondContact O-N 2.85Å; L386-K388 VanDerWaalsContact C-N 3.25Å; L386-K388 PolarHBondContact O-N 3.35Å; K388-K390 PolarHBondContact O-N 3.16Å
389P38Very low40.5Very low115 Ų115134.6 Ų134.675%0.74764%0.642SS**  trans-61.7115.7-174.622-30.5000108.7L387 R391L387-P389 WeakPolarHBondContact O-CD 3.34Å; P389-R391 PolarHBondContact O-N 2.77Å
390K36.7Very low39.6Very low192 Ų192133.6 Ų133.684%0.83564%0.635SS**  trans-52.4114.9166.9-80.7-175.2178175.80106.3K388 K392K388-K390 PolarHBondContact O-N 3.16Å; K390-K392 PolarHBondContact O-N 3.11Å
391R35.4Very low38.9Very low250 Ų250137 Ų13794%0.94365%0.652SS**THydrogen-bonded Turntrans-52.580.4178.1-73.6178171.2170.4-2.2110.4P389P389-R391 PolarHBondContact O-N 2.77Å
392K33Very low38.1Very low190 Ų190140 Ų14083%0.82666%0.661SS**THydrogen-bonded Turntrans-162.4-1.7171-116.5168.4-170.7-172.80118.5K390K390-K392 PolarHBondContact O-N 3.11Å
393Y31.9Very low37.5Very low204 Ų204138.9 Ų138.980%0.866%0.664SS**  trans-105.6105.5175.3-62.4-73.7000111.5V395Y393-V395 PolarHBondContact O-N 2.75Å
394K29.4Very low36.7Very low218 Ų218142.6 Ų142.695%0.94868%0.676SS**  trans-68.671.4159-83.5-179.9174.6174.20107.8
395V32.4Very low36Very low110 Ų110146.1 Ų146.167%0.66769%0.69SS**  trans-75.1141164.8-1760000107.5Y393Y393-V395 PolarHBondContact O-N 2.75Å
396S33.2Very low35.3Very low98 Ų98150.1 Ų150.169%0.68570%0.702SS**  trans-32.6139.4-176.7-1800000114.9L398S396-L398 PolarHBondContact O-N 3.39Å
397R35.4Very low34.8Very low217 Ų217150.3 Ų150.382%0.81970%0.698SS**THydrogen-bonded Turntrans-60.36.7-155.4-118.1179-170.4179.51.5118.9
398L36.5Very low34.6Very low94 Ų94154.1 Ų154.149%0.49271%0.712SS.*THydrogen-bonded Turntrans-153.114.6-173.9-103.4131.1000117.1V346 S396 Y400V346-L398 HydrophobicContact CG2-CD2 3.91Å; S396-L398 PolarHBondContact O-N 3.39Å; L398-Y400 PolarHBondContact O-N 3.01Å
399V34.8Very low34.7Very low73 Ų73154 Ų15444%0.44271%0.714SS.*  trans-81.279.2166.9-169.70000108.5V48V48-V399 HydrophobicContact CG2-CG2 4.31Å
400Y38.5Very low34.4Very low130 Ų130157.3 Ų157.351%0.5171%0.711SS.*  trans-131.162.2168.1-65.7-77.9000108.5I351 L398I351-Y400 HydrophobicContact CD1-CD1 4.07Å; I351-Y400 HydrophobicContact CD1-CD2 3.94Å; I351-Y400 HydrophobicContact CD1-CE2 4.47Å; I351-Y400 HydrophobicContact CD1-CG 3.72Å; I351-Y400 HydrophobicContact CG1-CG 4.28Å; I351-Y400 HydrophobicContact CG2-CD1 3.91Å; I351-Y400 HydrophobicContact CG2-CG 4.28Å; L398-Y400 PolarHBondContact O-N 3.01Å
401I35.9Very low34.2Very low111 Ų111154.1 Ų154.157%0.56970%0.7SS**  trans-91.10140.9-55.4177.3000103.9F40F40-I401 HydrophobicContact CD1-CG2 3.66Å; F40-I401 HydrophobicContact CE1-CG2 3.79Å

Retrieved 401 of 401 residues in 118.1 ms (Link to these results)

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