A0A077YVZ3_TRITR Loading...

Ribosome biogenesis protein BOP1

AlphaFold DB , UniProt , Accession A0A077YVZ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 331 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.8Very low62.2Low238 Ų238122 Ų122100%1.17261%0.608SS**  097.60-73.7-180-179.700107.6T3M1-T3 PolarHBondContact O-N 3.38Å; M1-T3 VanDerWaalsContact O-N 3.15Å
2E36.3Very low64.3Low190 Ų190112.7 Ų112.789%0.88856%0.561SS**  trans-67.6109.6174.9-75.7169.3138.100108.6Q4E2-Q4 VanDerWaalsContact C-N 3.32Å; E2-Q4 PolarHBondContact O-N 3.49Å
3T41.9Very low66.2Low141 Ų141104 Ų10487%0.86552%0.517SS*.  trans-68.493.31739.20000107.4M1 K5M1-T3 PolarHBondContact O-N 3.38Å; M1-T3 VanDerWaalsContact O-N 3.15Å; T3-K5 PolarHBondContact O-N 2.98Å
4Q46.3Very low67.7Low186 Ų186102.4 Ų102.487%0.86951%0.506SS*.  trans-60.2100.8173.2-76.1-171.60.700108.9E2 Q6E2-Q4 VanDerWaalsContact C-N 3.32Å; E2-Q4 PolarHBondContact O-N 3.49Å; Q4-Q6 PolarHBondContact O-N 2.84Å
5K51.1Low69.1Low195 Ų19598.9 Ų98.985%0.84849%0.488SS*.  trans-59.5117.6175.6-166.9173.7-175.3177.50108T3 K7T3-K5 PolarHBondContact O-N 2.98Å; K5-K7 PolarHBondContact O-N 3.22Å
6Q59.4Low70.2Confident157 Ų15792.7 Ų92.773%0.73446%0.457SS*.  trans-51.5115.5176.7-75.1178.7-15.400109.6Q4 S8Q4-Q6 PolarHBondContact O-N 2.84Å; Q6-S8 PolarHBondContact O-N 3.42Å
7K69.5Low71.2Confident106 Ų10687.2 Ų87.246%0.46143%0.43SS..  trans-67.7129.5176.7-69.2-172.1175.2-168.30108.5K5 E15 L100 S101K5-K7 PolarHBondContact O-N 3.22Å; K7-E15 IonicContact NZ-OE1 3.76Å; K7-E15 PolarHBondContact NZ-OE1 3.36Å; K7-E15 IonicContact NZ-OE2 3.44Å; K7-E15 PolarHBondContact NZ-OE2 3.1Å; K7-L100 HydrophobicContact CB-CD2 4.27Å; K7-S101 PolarHBondContact O-N 3.44Å
8S83.8Confident72Confident34 Ų3489 Ų8924%0.23844%0.442CS..BIsolated β-bridgetrans-71.8145.6172.4176.90000109.8Q6 I10 S11 F12 S101Q6-S8 PolarHBondContact O-N 3.42Å; S8-I10 PolarHBondContact O-N 3.21Å; S8-S11 WeakPolarHBondContact O-CB 3.3Å; S8-S11 PolarHBondContact O-N 3.43Å; S8-F12 PolarHBondContact O-N 3.24Å; S8-S101 PolarHBondContact OG-O 2.88Å
9V87.3Confident72.8Confident0 Ų092.4 Ų92.40%045%0.449CS..Hα-helixtrans-50.9-41.4174.9179.80000111.4F12 L13 L68 L71 L100 S101 C102V9-F12 PolarHBondContact O-N 2.91Å; V9-L13 PolarHBondContact O-N 3.47Å; V9-L68 HydrophobicContact CG1-CB 4.02Å; V9-L68 HydrophobicContact CG1-CD1 4.49Å; V9-L68 HydrophobicContact CG2-CD1 4.09Å; V9-L71 HydrophobicContact CG1-CD1 4.09Å; V9-L100 HydrophobicContact CB-CB 4.42Å; V9-L100 HydrophobicContact CG2-CB 3.46Å; V9-L100 VanDerWaalsContact CG2-CB 3.46Å; V9-L100 HydrophobicContact CG2-CD1 4.35Å; V9-S101 PolarHBondContact N-O 2.92Å; V9-S101 VanDerWaalsContact N-O 3.13Å; V9-C102 HydrophobicContact CG2-CB 4.42Å
10I87.6Confident73.3Confident30 Ų3090.5 Ų90.515%0.15444%0.441CS..Hα-helixtrans-62-48.8179.9-57.8173.7000110.1S8 F12 L13 F14 F26 K63 A64S8-I10 PolarHBondContact O-N 3.21Å; I10-F12 VanDerWaalsContact C-N 3.29Å; I10-F12 PolarHBondContact O-N 3.05Å; I10-L13 PolarHBondContact O-N 3.14Å; I10-F14 HydrophobicContact CG2-CD2 3.85Å; I10-F14 HydrophobicContact CG2-CE2 3.69Å; I10-F14 VanDerWaalsContact O-CD2 3.26Å; I10-F14 WeakPolarHBondContact O-CD2 3.35Å; I10-F14 PolarHBondContact O-N 3.13Å; I10-F26 HydrophobicContact CG2-CZ 4.33Å; I10-K63 HydrophobicContact CD1-CB 3.81Å; I10-K63 HydrophobicContact CG1-CB 4.49Å; I10-A64 HydrophobicContact CD1-CB 4.03Å; I10-A64 HydrophobicContact CG1-CB 3.97Å
11S86.4Confident73.8Confident65 Ų6595.6 Ų95.646%0.45546%0.461SS..Hα-helixtrans-63.2-37.6179.7-172.30000111.8S8 F14 E15S8-S11 WeakPolarHBondContact O-CB 3.3Å; S8-S11 PolarHBondContact O-N 3.43Å; S11-F14 PolarHBondContact O-N 2.81Å; S11-E15 WeakPolarHBondContact O-CB 3.45Å; S11-E15 PolarHBondContact O-N 3.49Å
12F87.3Confident76.2Confident10 Ų1086.7 Ų86.74%0.04442%0.418CS..Hα-helixtrans-66-42.3176.9-175.7-115.6000111.4S8 V9 I10 F14 E15 L16 L71 F96 L97 L100S8-F12 PolarHBondContact O-N 3.24Å; V9-F12 PolarHBondContact O-N 2.91Å; I10-F12 VanDerWaalsContact C-N 3.29Å; I10-F12 PolarHBondContact O-N 3.05Å; F12-F14 PolarHBondContact O-N 3.28Å; F12-E15 PolarHBondContact O-N 3.15Å; F12-L16 HydrophobicContact CD1-CD1 3.85Å; F12-L16 HydrophobicContact CE1-CD1 3.44Å; F12-L16 VanDerWaalsContact CE1-CD1 3.44Å; F12-L16 HydrophobicContact CE1-CG 4.22Å; F12-L16 HydrophobicContact CE2-CD1 4.34Å; F12-L16 HydrophobicContact CE2-CD2 4.25Å; F12-L16 HydrophobicContact CE2-CG 4.26Å; F12-L16 HydrophobicContact CG-CD1 4.48Å; F12-L16 HydrophobicContact CZ-CD1 3.7Å; F12-L16 HydrophobicContact CZ-CD2 4.02Å; F12-L16 HydrophobicContact CZ-CG 4.06Å; F12-L16 WeakPolarHBondContact O-CG 3.43Å; F12-L16 PolarHBondContact O-N 2.9Å; F12-L71 HydrophobicContact CD1-CD1 3.93Å; F12-L71 HydrophobicContact CE1-CD1 4.46Å; F12-F96 HydrophobicContact CD1-CE1 4.39Å; F12-F96 HydrophobicContact CD2-CE1 4.38Å; F12-F96 HydrophobicContact CE1-CD1 4.29Å; F12-F96 AromaticContact CE1-CE1 3.8Å; F12-F96 HydrophobicContact CE1-CE1 3.8Å; F12-F96 AromaticContact CE2-CE1 3.82Å; F12-F96 HydrophobicContact CE2-CE1 3.82Å; F12-F96 HydrophobicContact CE2-CZ 4.32Å; F12-F96 HydrophobicContact CZ-CD1 4.22Å; F12-F96 AromaticContact CZ-CE1 3.5Å; F12-F96 HydrophobicContact CZ-CE1 3.5Å; F12-F96 HydrophobicContact CZ-CZ 4.39Å; F12-L97 HydrophobicContact CD1-CD2 4.38Å; F12-L97 HydrophobicContact CE1-CD2 4.17Å; F12-L100 HydrophobicContact CB-CD1 4.02Å; F12-L100 HydrophobicContact CB-CD2 4.43Å; F12-L100 HydrophobicContact CD1-CD1 3.45Å; F12-L100 VanDerWaalsContact CD1-CD1 3.45Å; F12-L100 HydrophobicContact CE1-CD1 4.12Å; F12-L100 HydrophobicContact CG-CD1 3.87Å; F12-L100 HydrophobicContact CG-CD2 4.48Å
13L88.4Confident78.6Confident0 Ų083.5 Ų83.50%041%0.412CS..Hα-helixtrans-58.6-47.2174.1176.862.8000111.7V9 I10 E15 L16 C17 V24 F26 V45 L70 L71 W83V9-L13 PolarHBondContact O-N 3.47Å; I10-L13 PolarHBondContact O-N 3.14Å; L13-E15 VanDerWaalsContact C-N 3.34Å; L13-E15 PolarHBondContact O-N 3.49Å; L13-L16 PolarHBondContact O-N 2.92Å; L13-C17 WeakPolarHBondContact O-CB 3.15Å; L13-C17 PolarHBondContact O-N 3.19Å; L13-C17 PolarHBondContact O-SG 3.35Å; L13-V24 HydrophobicContact CD2-CG1 4.06Å; L13-V24 HydrophobicContact CG-CG2 4.39Å; L13-F26 HydrophobicContact CD2-CZ 4.28Å; L13-V45 HydrophobicContact CD2-CG2 3.93Å; L13-L70 HydrophobicContact CD1-CD2 3.72Å; L13-L71 HydrophobicContact CB-CD1 4.42Å; L13-L71 HydrophobicContact CD1-CD2 3.77Å; L13-L71 HydrophobicContact CD1-CG 4.15Å; L13-W83 HydrophobicContact CD1-CZ3 3.91Å
14F88.4Confident80.8Confident81 Ų8178.1 Ų78.136%0.35538%0.378SS..Hα-helixtrans-61.4-41176.5-84-73000112.5I10 S11 F12 L16 C17 N18 V24 F26I10-F14 HydrophobicContact CG2-CD2 3.85Å; I10-F14 HydrophobicContact CG2-CE2 3.69Å; I10-F14 VanDerWaalsContact O-CD2 3.26Å; I10-F14 WeakPolarHBondContact O-CD2 3.35Å; I10-F14 PolarHBondContact O-N 3.13Å; S11-F14 PolarHBondContact O-N 2.81Å; F12-F14 PolarHBondContact O-N 3.28Å; F14-L16 PolarHBondContact O-N 3Å; F14-C17 PolarHBondContact O-N 3.48Å; F14-N18 VanDerWaalsContact O-CB 3.3Å; F14-N18 WeakPolarHBondContact O-CB 3.46Å; F14-N18 PolarHBondContact O-N 3.4Å; F14-V24 HydrophobicContact CD1-CB 4.32Å; F14-V24 HydrophobicContact CD1-CG2 4.25Å; F14-V24 HydrophobicContact CE1-CB 3.96Å; F14-V24 HydrophobicContact CE1-CG1 4.49Å; F14-V24 HydrophobicContact CE1-CG2 4.4Å; F14-V24 HydrophobicContact CZ-CB 4.49Å; F14-F26 AromaticContact CE2-CE2 3.65Å; F14-F26 HydrophobicContact CE2-CE2 3.65Å; F14-F26 HydrophobicContact CE2-CZ 4.3Å; F14-F26 HydrophobicContact CZ-CD2 4.21Å; F14-F26 AromaticContact CZ-CE2 3.56Å; F14-F26 HydrophobicContact CZ-CE2 3.56Å
15E87.9Confident82.8Confident50 Ų5072.4 Ų72.423%0.23436%0.359CS..Hα-helixtrans-60.4-45.2177-170.2-179156.300111.3K7 S11 F12 L13 R19K7-E15 IonicContact NZ-OE1 3.76Å; K7-E15 PolarHBondContact NZ-OE1 3.36Å; K7-E15 IonicContact NZ-OE2 3.44Å; K7-E15 PolarHBondContact NZ-OE2 3.1Å; S11-E15 WeakPolarHBondContact O-CB 3.45Å; S11-E15 PolarHBondContact O-N 3.49Å; F12-E15 PolarHBondContact O-N 3.15Å; L13-E15 VanDerWaalsContact C-N 3.34Å; L13-E15 PolarHBondContact O-N 3.49Å; E15-R19 WeakPolarHBondContact O-CG 3.29Å; E15-R19 PolarHBondContact O-N 3.48Å; E15-R19 VanDerWaalsContact O-N 3.14Å; E15-R19 IonicContact OE1-CZ 2.81Å; E15-R19 IonicContact OE1-NH1 2.71Å; E15-R19 IonicContact OE1-NH2 3.41Å; E15-R19 PolarHBondContact OE1-NH2 2.98Å
16L86.6Confident84.6Confident0 Ų065.3 Ų65.30%033%0.328CS..Hα-helixtrans-66.4-44.3177.2-65.9172.1000112F12 L13 F14 N18 R19 N20 L71 W83 I85F12-L16 HydrophobicContact CD1-CD1 3.85Å; F12-L16 HydrophobicContact CE1-CD1 3.44Å; F12-L16 VanDerWaalsContact CE1-CD1 3.44Å; F12-L16 HydrophobicContact CE1-CG 4.22Å; F12-L16 HydrophobicContact CE2-CD1 4.34Å; F12-L16 HydrophobicContact CE2-CD2 4.25Å; F12-L16 HydrophobicContact CE2-CG 4.26Å; F12-L16 HydrophobicContact CG-CD1 4.48Å; F12-L16 HydrophobicContact CZ-CD1 3.7Å; F12-L16 HydrophobicContact CZ-CD2 4.02Å; F12-L16 HydrophobicContact CZ-CG 4.06Å; F12-L16 WeakPolarHBondContact O-CG 3.43Å; F12-L16 PolarHBondContact O-N 2.9Å; L13-L16 PolarHBondContact O-N 2.92Å; F14-L16 PolarHBondContact O-N 3Å; L16-N18 VanDerWaalsContact C-N 3.34Å; L16-N18 PolarHBondContact O-N 3.07Å; L16-R19 PolarHBondContact O-N 3.38Å; L16-N20 PolarHBondContact O-N 3.08Å; L16-N20 PolarHBondContact O-ND2 2.98Å; L16-L71 HydrophobicContact CD1-CD2 3.61Å; L16-W83 HydrophobicContact CB-CE3 4.07Å; L16-W83 HydrophobicContact CD1-CE3 4.35Å; L16-W83 WeakPolarHBondContact CD2-O 3.27Å; L16-I85 HydrophobicContact CD1-CD1 4.35Å; L16-I85 HydrophobicContact CD1-CG1 3.83Å; L16-I85 HydrophobicContact CD2-CG1 4.41Å
17C86.8Confident85.7Confident0 Ų063.1 Ų63.10%032%0.318CS..Hα-helixtrans-66.2-39.5-179-65.30000111.3L13 F14 R19 N20 K21 L22 V24L13-C17 WeakPolarHBondContact O-CB 3.15Å; L13-C17 PolarHBondContact O-N 3.19Å; L13-C17 PolarHBondContact O-SG 3.35Å; F14-C17 PolarHBondContact O-N 3.48Å; C17-R19 VanDerWaalsContact C-N 3.33Å; C17-R19 PolarHBondContact O-N 2.93Å; C17-N20 CarbonylContact O-C 3.56Å; C17-N20 PolarHBondContact O-N 3.2Å; C17-K21 PolarHBondContact O-N 2.77Å; C17-L22 CarbonylContact C-O 3.46Å; C17-L22 HydrophobicContact CB-CB 4.15Å; C17-L22 WeakPolarHBondContact CB-O 3.46Å; C17-L22 PolarHBondContact O-N 2.99Å; C17-V24 HydrophobicContact CB-CG2 3.36Å; C17-V24 WeakPolarHBondContact SG-CG2 3.36Å
18N86.8Confident86.4Confident119 Ų11962.5 Ų62.564%0.63632%0.317SS*.Hα-helixtrans-62.2-39.2174.2-75-8.9000112.3F14 L16 N20 K21F14-N18 VanDerWaalsContact O-CB 3.3Å; F14-N18 WeakPolarHBondContact O-CB 3.46Å; F14-N18 PolarHBondContact O-N 3.4Å; L16-N18 VanDerWaalsContact C-N 3.34Å; L16-N18 PolarHBondContact O-N 3.07Å; N18-N20 VanDerWaalsContact C-N 3.34Å; N18-K21 PolarHBondContact O-N 2.81Å
19R86.1Confident86Confident153 Ų15364.5 Ų64.558%0.57732%0.324SS*.Hα-helixtrans-64-39.5175-76.2-179.9179.9156.210.5112.4E15 L16 C17 K21E15-R19 WeakPolarHBondContact O-CG 3.29Å; E15-R19 PolarHBondContact O-N 3.48Å; E15-R19 VanDerWaalsContact O-N 3.14Å; E15-R19 IonicContact OE1-CZ 2.81Å; E15-R19 IonicContact OE1-NH1 2.71Å; E15-R19 IonicContact OE1-NH2 3.41Å; E15-R19 PolarHBondContact OE1-NH2 2.98Å; L16-R19 PolarHBondContact O-N 3.38Å; C17-R19 VanDerWaalsContact C-N 3.33Å; C17-R19 PolarHBondContact O-N 2.93Å; R19-K21 VanDerWaalsContact C-N 3.3Å; R19-K21 PolarHBondContact O-N 3.24Å
20N83Confident85.2Confident54 Ų5468.3 Ų68.329%0.28934%0.342SS..THydrogen-bonded Turntrans-89.27.3-178.7-63.1-57.9000113.7L16 C17 N18 L22 S82 W83L16-N20 PolarHBondContact O-N 3.08Å; L16-N20 PolarHBondContact O-ND2 2.98Å; C17-N20 CarbonylContact O-C 3.56Å; C17-N20 PolarHBondContact O-N 3.2Å; N18-N20 VanDerWaalsContact C-N 3.34Å; N20-L22 HydrophobicContact CB-CD1 4.08Å; N20-L22 HydrophobicContact CB-CG 4.04Å; N20-L22 PolarHBondContact O-N 3.46Å; N20-S82 PolarHBondContact OD1-O 3.26Å; N20-W83 WeakPolarHBondContact ND2-CA 3.5Å; N20-W83 PolarHBondContact ND2-O 3.33Å
21K84.1Confident85Confident199 Ų19972.7 Ų72.787%0.86536%0.361SS*.THydrogen-bonded Turntrans54.831.5-176.2-54.9179.2-179.7178.60113.3C17 N18 R19C17-K21 PolarHBondContact O-N 2.77Å; N18-K21 PolarHBondContact O-N 2.81Å; R19-K21 VanDerWaalsContact C-N 3.3Å; R19-K21 PolarHBondContact O-N 3.24Å
22L86.2Confident84Confident51 Ų5173.4 Ų73.427%0.26736%0.358SS..PPolyproline II helixtrans-95.9140.6176.7-63.4176.9000110.7C17 N20 W83C17-L22 CarbonylContact C-O 3.46Å; C17-L22 HydrophobicContact CB-CB 4.15Å; C17-L22 WeakPolarHBondContact CB-O 3.46Å; C17-L22 PolarHBondContact O-N 2.99Å; N20-L22 HydrophobicContact CB-CD1 4.08Å; N20-L22 HydrophobicContact CB-CG 4.04Å; N20-L22 PolarHBondContact O-N 3.46Å; L22-W83 HydrophobicContact CD1-CH2 3.87Å; L22-W83 HydrophobicContact CD1-CZ2 3.27Å
23T85.9Confident83.3Confident123 Ų12378 Ų7876%0.75538%0.382SS*.PPolyproline II helixtrans-89.8128173.654.90000110.4
24V88.4Confident82.6Confident27 Ų2784 Ų8416%0.16440%0.404CS..EExtended strand (participates in β ladder)trans-93.4122.3174-172.60000109.5L13 F14 C17 F26 V45 S46 A47L13-V24 HydrophobicContact CD2-CG1 4.06Å; L13-V24 HydrophobicContact CG-CG2 4.39Å; F14-V24 HydrophobicContact CD1-CB 4.32Å; F14-V24 HydrophobicContact CD1-CG2 4.25Å; F14-V24 HydrophobicContact CE1-CB 3.96Å; F14-V24 HydrophobicContact CE1-CG1 4.49Å; F14-V24 HydrophobicContact CE1-CG2 4.4Å; F14-V24 HydrophobicContact CZ-CB 4.49Å; C17-V24 HydrophobicContact CB-CG2 3.36Å; C17-V24 WeakPolarHBondContact SG-CG2 3.36Å; V24-F26 HydrophobicContact CB-CE2 4.5Å; V24-F26 HydrophobicContact CG1-CD2 4Å; V24-F26 HydrophobicContact CG1-CE2 3.43Å; V24-F26 VanDerWaalsContact CG1-CE2 3.43Å; V24-F26 HydrophobicContact CG1-CZ 3.9Å; V24-V45 HydrophobicContact CG1-CG2 3.55Å; V24-S46 WeakPolarHBondContact CA-O 3.47Å; V24-A47 HydrophobicContact CG2-CB 4.17Å
25S88.1Confident80.7Confident66 Ų6686 Ų8646%0.46243%0.426SS..EExtended strand (participates in β ladder)trans-111.3132.6171.7-173.80000110.3V45 S46S25-V45 CarbonylContact O-C 3.57Å; S25-V45 VanDerWaalsContact O-CA 3.26Å; S25-V45 WeakPolarHBondContact O-CA 3.46Å; S25-S46 WeakPolarHBondContact CB-OG 3.47Å; S25-S46 PolarHBondContact N-O 3.4Å; S25-S46 PolarHBondContact O-N 2.96Å
26F87.9Confident79.9Confident46 Ų4690 Ų9020%0.20245%0.449CS..EExtended strand (participates in β ladder)trans-111.4121.7172.5-70.9-86.8000109.2I10 L13 F14 V24 V43 R44 V45 K63 S67I10-F26 HydrophobicContact CG2-CZ 4.33Å; L13-F26 HydrophobicContact CD2-CZ 4.28Å; F14-F26 AromaticContact CE2-CE2 3.65Å; F14-F26 HydrophobicContact CE2-CE2 3.65Å; F14-F26 HydrophobicContact CE2-CZ 4.3Å; F14-F26 HydrophobicContact CZ-CD2 4.21Å; F14-F26 AromaticContact CZ-CE2 3.56Å; F14-F26 HydrophobicContact CZ-CE2 3.56Å; V24-F26 HydrophobicContact CB-CE2 4.5Å; V24-F26 HydrophobicContact CG1-CD2 4Å; V24-F26 HydrophobicContact CG1-CE2 3.43Å; V24-F26 VanDerWaalsContact CG1-CE2 3.43Å; V24-F26 HydrophobicContact CG1-CZ 3.9Å; F26-V43 HydrophobicContact CD1-CG1 4.05Å; F26-R44 CarbonylContact C-O 3.57Å; F26-R44 WeakPolarHBondContact CA-O 3.29Å; F26-V45 HydrophobicContact CD1-CB 3.76Å; F26-V45 HydrophobicContact CD1-CG2 3.76Å; F26-V45 HydrophobicContact CD2-CG2 4.49Å; F26-V45 HydrophobicContact CE1-CB 3.69Å; F26-V45 HydrophobicContact CE1-CG2 3.45Å; F26-V45 VanDerWaalsContact CE1-CG2 3.45Å; F26-V45 HydrophobicContact CE2-CG2 4.21Å; F26-V45 HydrophobicContact CG-CG2 4.29Å; F26-V45 HydrophobicContact CZ-CB 4.44Å; F26-V45 HydrophobicContact CZ-CG2 3.7Å; F26-K63 HydrophobicContact CD1-CB 4.26Å; F26-K63 HydrophobicContact CD1-CD 4.36Å; F26-K63 HydrophobicContact CD1-CG 3.82Å; F26-K63 HydrophobicContact CE1-CB 4.09Å; F26-K63 HydrophobicContact CE1-CG 4.16Å; F26-K63 HydrophobicContact CG-CG 4.42Å; F26-S67 WeakPolarHBondContact CE1-OG 3.4Å; F26-S67 WeakPolarHBondContact CZ-OG 3.48Å
27E82.8Confident78.7Confident111 Ų11195.4 Ų95.452%0.51948%0.478SS..EExtended strand (participates in β ladder)trans-114.6125.9177.6-176.4-173.8-173.900108.8I29 V43 R44E27-I29 PolarHBondContact O-N 3.06Å; E27-V43 CarbonylContact O-C 3.58Å; E27-V43 WeakPolarHBondContact O-CA 2.74Å; E27-R44 HydrophobicContact CB-CB 4.41Å; E27-R44 PolarHBondContact N-O 3.5Å; E27-R44 PolarHBondContact O-N 2.71Å
28Q84.4Confident78Confident93 Ų9397.9 Ų97.944%0.43549%0.489SS..EExtended strand (participates in β ladder)trans-83.5113.7170.6179.5177.6-36.400108L59Q28-L59 HydrophobicContact CG-CD1 4.49Å
29I76.5Confident77.4Confident77 Ų7796 Ų9640%0.39548%0.479SS..EExtended strand (participates in β ladder)trans-74.3-56.7-175.5-46.7178.5000109.6E27 F42 R44E27-I29 PolarHBondContact O-N 3.06Å; I29-F42 HydrophobicContact CB-CB 4.35Å; I29-F42 PolarHBondContact N-O 3.46Å; I29-R44 HydrophobicContact CD1-CB 3.94Å; I29-R44 HydrophobicContact CG1-CB 3.92Å
30H69.8Low76.8Confident80 Ų8089.8 Ų89.837%0.3746%0.457SS..EExtended strand (participates in β ladder)trans-161.8174.5-179.868.692.6000111.2F42H30-F42 AromaticContact CD2-CG 3.95Å; H30-F42 AromaticContact CE1-CD1 3.79Å; H30-F42 AromaticContact CE1-CD2 3.09Å; H30-F42 WeakPolarHBondContact CE1-CD2 3.42Å; H30-F42 AromaticContact CE1-CE1 3.92Å; H30-F42 AromaticContact CE1-CE2 3.27Å; H30-F42 WeakPolarHBondContact CE1-CE2 3.35Å; H30-F42 AromaticContact CE1-CG 3.38Å; H30-F42 WeakPolarHBondContact CE1-CG 3.36Å; H30-F42 AromaticContact CE1-CZ 3.67Å; H30-F42 AromaticContact ND1-CD2 3.44Å; H30-F42 WeakPolarHBondContact ND1-CD2 3.38Å; H30-F42 AromaticContact ND1-CE2 3.85Å; H30-F42 AromaticContact ND1-CG 3.93Å; H30-F42 AromaticContact NE2-CD1 3.57Å; H30-F42 AromaticContact NE2-CD2 3.62Å; H30-F42 AromaticContact NE2-CE1 3.99Å; H30-F42 AromaticContact NE2-CG 3.35Å; H30-F42 WeakPolarHBondContact NE2-CG 3.48Å; H30-F42 PolarHBondContact O-N 3.45Å
31Q83.6Confident76.7Confident121 Ų12189.3 Ų89.357%0.56545%0.452SS*.EExtended strand (participates in β ladder)trans-122.3139.2166.763.8-172.211.600108.7I39 L40Q31-I39 HydrophobicContact CB-CG2 4.17Å; Q31-L40 CarbonylContact C-O 3.53Å; Q31-L40 WeakPolarHBondContact CA-O 3.13Å
32E65.2Low76.6Confident81 Ų8181.7 Ų81.738%0.37942%0.419SS..EExtended strand (participates in β ladder)trans-119.3129.1179.4-168.3-174.9147.100109.4I39 L40 F42E32-I39 WeakPolarHBondContact O-CA 3.41Å; E32-L40 PolarHBondContact N-O 2.92Å; E32-L40 PolarHBondContact O-N 3.33Å; E32-F42 HydrophobicContact CB-CD2 4.49Å; E32-F42 HydrophobicContact CB-CE2 3.66Å; E32-F42 HydrophobicContact CB-CZ 4.39Å; E32-F42 WeakPolarHBondContact OE2-CZ 3.18Å
33L72.6Confident76.3Confident106 Ų10679.3 Ų79.356%0.55541%0.407SS*.EExtended strand (participates in β ladder)trans-87.8114.5171.1-174.566.8000108.6I39L33-I39 HydrophobicContact CD1-CG1 3.87Å
34R72.7Confident76.1Confident125 Ų12578.2 Ų78.247%0.47239%0.389SS..  trans-76.8157.1176.9-66.1-82.2-81.5-178.2-2.9110.1N36 N37 E38 L40R34-N36 PolarHBondContact O-N 3.01Å; R34-N37 WeakPolarHBondContact O-CA 3.37Å; R34-N37 PolarHBondContact O-N 3.04Å; R34-E38 HydrophobicContact CB-CB 4.29Å; R34-E38 WeakPolarHBondContact CB-O 3.49Å; R34-E38 PolarHBondContact N-O 3.48Å; R34-L40 HydrophobicContact CG-CD1 3.82Å; R34-L40 HydrophobicContact CG-CG 4.08Å
35P50.4Low76.1Confident125 Ų12577 Ų7781%0.81238%0.381SS*.THydrogen-bonded Turntrans-53.2-25.3177.1-2835.3000114.5N37P35-N37 PolarHBondContact O-N 2.85Å
36N69.3Low76.1Confident132 Ų13276 Ų7671%0.70637%0.374SS*.THydrogen-bonded Turntrans-84.715.9177.9-59.214.3000113.2R34 E38R34-N36 PolarHBondContact O-N 3.01Å; N36-E38 HydrophobicContact CB-CG 4.42Å; N36-E38 PolarHBondContact O-N 3.43Å
37N63.2Low76.1Confident115 Ų11573.8 Ų73.862%0.61537%0.365SS*.SBendtrans60.421.5-174.6-136.533.4000114.2R34 P35R34-N37 WeakPolarHBondContact O-CA 3.37Å; R34-N37 PolarHBondContact O-N 3.04Å; P35-N37 PolarHBondContact O-N 2.85Å
38E70Confident76.2Confident51 Ų5170.5 Ų70.524%0.23836%0.361CS..PPolyproline II helixtrans-89.1129.8174.9-66.9-166.4143.500110.4R34 N36 K57R34-E38 HydrophobicContact CB-CB 4.29Å; R34-E38 WeakPolarHBondContact CB-O 3.49Å; R34-E38 PolarHBondContact N-O 3.48Å; N36-E38 HydrophobicContact CB-CG 4.42Å; N36-E38 PolarHBondContact O-N 3.43Å; E38-K57 IonicContact OE1-NZ 2.97Å; E38-K57 PolarHBondContact OE1-NZ 2.87Å; E38-K57 IonicContact OE2-NZ 2.79Å
39I75.2Confident76.3Confident80 Ų8074 Ų7441%0.4138%0.382SS..EExtended strand (participates in β ladder)trans-91.6121.1176-57.4172.9000109.3Q31 E32 L33 F41Q31-I39 HydrophobicContact CB-CG2 4.17Å; E32-I39 WeakPolarHBondContact O-CA 3.41Å; L33-I39 HydrophobicContact CD1-CG1 3.87Å; I39-F41 HydrophobicContact CB-CE2 4.44Å; I39-F41 HydrophobicContact CG2-CD2 4.37Å; I39-F41 HydrophobicContact CG2-CE2 3.85Å; I39-F41 HydrophobicContact CG2-CZ 3.97Å
40L74.4Confident76.7Confident22 Ų2272.5 Ų72.512%0.11537%0.373CS..EExtended strand (participates in β ladder)trans-101129.4170.9-68178.9000110.2Q31 E32 R34 F42 F55 K57Q31-L40 CarbonylContact C-O 3.53Å; Q31-L40 WeakPolarHBondContact CA-O 3.13Å; E32-L40 PolarHBondContact N-O 2.92Å; E32-L40 PolarHBondContact O-N 3.33Å; R34-L40 HydrophobicContact CG-CD1 3.82Å; R34-L40 HydrophobicContact CG-CG 4.08Å; L40-F42 HydrophobicContact CB-CD2 4.47Å; L40-F42 HydrophobicContact CB-CE2 3.78Å; L40-F42 HydrophobicContact CB-CZ 4.44Å; L40-F55 HydrophobicContact CD1-CD2 4.44Å; L40-K57 HydrophobicContact CD2-CG 4.27Å
41F79.6Confident77.5Confident44 Ų4472.1 Ų72.119%0.19337%0.373CS..EExtended strand (participates in β ladder)trans-96.6127174.7-65.2-94.1000109.3I39 F55 G56 A62I39-F41 HydrophobicContact CB-CE2 4.44Å; I39-F41 HydrophobicContact CG2-CD2 4.37Å; I39-F41 HydrophobicContact CG2-CE2 3.85Å; I39-F41 HydrophobicContact CG2-CZ 3.97Å; F41-F55 CarbonylContact O-C 3.55Å; F41-F55 WeakPolarHBondContact O-CA 3.41Å; F41-F55 WeakPolarHBondContact O-CB 3.26Å; F41-G56 PolarHBondContact N-O 3.41Å; F41-G56 PolarHBondContact O-N 2.78Å; F41-A62 HydrophobicContact CB-CB 4.1Å; F41-A62 VanDerWaalsContact O-CB 3.24Å; F41-A62 WeakPolarHBondContact O-CB 3.5Å
42F81.8Confident77.4Confident39 Ų3966.4 Ų66.417%0.17135%0.346CS..EExtended strand (participates in β ladder)trans-104.7124.2177-67.5-106.6000109.3I29 H30 E32 L40 F55I29-F42 HydrophobicContact CB-CB 4.35Å; I29-F42 PolarHBondContact N-O 3.46Å; H30-F42 AromaticContact CD2-CG 3.95Å; H30-F42 AromaticContact CE1-CD1 3.79Å; H30-F42 AromaticContact CE1-CD2 3.09Å; H30-F42 WeakPolarHBondContact CE1-CD2 3.42Å; H30-F42 AromaticContact CE1-CE1 3.92Å; H30-F42 AromaticContact CE1-CE2 3.27Å; H30-F42 WeakPolarHBondContact CE1-CE2 3.35Å; H30-F42 AromaticContact CE1-CG 3.38Å; H30-F42 WeakPolarHBondContact CE1-CG 3.36Å; H30-F42 AromaticContact CE1-CZ 3.67Å; H30-F42 AromaticContact ND1-CD2 3.44Å; H30-F42 WeakPolarHBondContact ND1-CD2 3.38Å; H30-F42 AromaticContact ND1-CE2 3.85Å; H30-F42 AromaticContact ND1-CG 3.93Å; H30-F42 AromaticContact NE2-CD1 3.57Å; H30-F42 AromaticContact NE2-CD2 3.62Å; H30-F42 AromaticContact NE2-CE1 3.99Å; H30-F42 AromaticContact NE2-CG 3.35Å; H30-F42 WeakPolarHBondContact NE2-CG 3.48Å; H30-F42 PolarHBondContact O-N 3.45Å; E32-F42 HydrophobicContact CB-CD2 4.49Å; E32-F42 HydrophobicContact CB-CE2 3.66Å; E32-F42 HydrophobicContact CB-CZ 4.39Å; E32-F42 WeakPolarHBondContact OE2-CZ 3.18Å; L40-F42 HydrophobicContact CB-CD2 4.47Å; L40-F42 HydrophobicContact CB-CE2 3.78Å; L40-F42 HydrophobicContact CB-CZ 4.44Å; F42-F55 HydrophobicContact CD1-CB 3.75Å; F42-F55 HydrophobicContact CD1-CG 4.48Å; F42-F55 HydrophobicContact CD2-CB 4.44Å; F42-F55 HydrophobicContact CE1-CB 3.89Å; F42-F55 HydrophobicContact CE1-CD1 4.37Å; F42-F55 HydrophobicContact CE1-CG 4.2Å; F42-F55 HydrophobicContact CG-CB 4.06Å; F42-F55 HydrophobicContact CZ-CB 4.3Å
43V80.6Confident78.1Confident1 Ų165.1 Ų65.11%0.00635%0.346CS..EExtended strand (participates in β ladder)trans-127.9137.4-175.6175.30000109.7F26 E27 S53 G54 L59 A62 K63 A66F26-V43 HydrophobicContact CD1-CG1 4.05Å; E27-V43 CarbonylContact O-C 3.58Å; E27-V43 WeakPolarHBondContact O-CA 2.74Å; V43-S53 CarbonylContact O-C 3.6Å; V43-S53 WeakPolarHBondContact O-CA 3.44Å; V43-G54 PolarHBondContact N-O 2.8Å; V43-G54 PolarHBondContact O-N 2.8Å; V43-G54 VanDerWaalsContact O-O 3.1Å; V43-L59 HydrophobicContact CG2-CD1 3.59Å; V43-A62 HydrophobicContact CB-CB 4.07Å; V43-A62 HydrophobicContact CG2-CB 3.58Å; V43-K63 HydrophobicContact CG1-CG 3.9Å; V43-K63 HydrophobicContact CG2-CG 4.36Å; V43-A66 HydrophobicContact CB-CB 4.49Å; V43-A66 HydrophobicContact CG1-CB 4.25Å
44R82.2Confident78.2Confident101 Ų10160.6 Ų60.638%0.38133%0.325SS..EExtended strand (participates in β ladder)trans-107.1142.4168.2-173.6172.5-76.7-175.9-1.3109.1F26 E27 I29 L51 G52F26-R44 CarbonylContact C-O 3.57Å; F26-R44 WeakPolarHBondContact CA-O 3.29Å; E27-R44 HydrophobicContact CB-CB 4.41Å; E27-R44 PolarHBondContact N-O 3.5Å; E27-R44 PolarHBondContact O-N 2.71Å; I29-R44 HydrophobicContact CD1-CB 3.94Å; I29-R44 HydrophobicContact CG1-CB 3.92Å; R44-L51 HydrophobicContact CG-CD1 3.81Å; R44-L51 HydrophobicContact CG-CD2 4.24Å; R44-L51 HydrophobicContact CG-CG 4.03Å; R44-G52 CarbonylContact C-O 3.58Å; R44-G52 WeakPolarHBondContact CA-O 3.5Å
45V88.2Confident78.6Confident0 Ų059.7 Ų59.70%033%0.325CS..EExtended strand (participates in β ladder)trans-124.8135.8171.563.50000108.9L13 V24 S25 F26 L51 G52 A66 L70L13-V45 HydrophobicContact CD2-CG2 3.93Å; V24-V45 HydrophobicContact CG1-CG2 3.55Å; S25-V45 CarbonylContact O-C 3.57Å; S25-V45 VanDerWaalsContact O-CA 3.26Å; S25-V45 WeakPolarHBondContact O-CA 3.46Å; F26-V45 HydrophobicContact CD1-CB 3.76Å; F26-V45 HydrophobicContact CD1-CG2 3.76Å; F26-V45 HydrophobicContact CD2-CG2 4.49Å; F26-V45 HydrophobicContact CE1-CB 3.69Å; F26-V45 HydrophobicContact CE1-CG2 3.45Å; F26-V45 VanDerWaalsContact CE1-CG2 3.45Å; F26-V45 HydrophobicContact CE2-CG2 4.21Å; F26-V45 HydrophobicContact CG-CG2 4.29Å; F26-V45 HydrophobicContact CZ-CB 4.44Å; F26-V45 HydrophobicContact CZ-CG2 3.7Å; V45-L51 CarbonylContact O-C 3.55Å; V45-L51 WeakPolarHBondContact O-CA 3.5Å; V45-G52 PolarHBondContact N-O 3.04Å; V45-G52 PolarHBondContact O-N 2.99Å; V45-A66 HydrophobicContact CB-CB 4.28Å; V45-A66 HydrophobicContact CG1-CB 3.81Å; V45-A66 WeakPolarHBondContact CG1-O 3.46Å; V45-L70 HydrophobicContact CB-CD1 4.48Å; V45-L70 HydrophobicContact CG1-CB 3.87Å; V45-L70 HydrophobicContact CG1-CD1 3.78Å; V45-L70 HydrophobicContact CG1-CG 4.49Å; V45-L70 HydrophobicContact CG2-CD1 4.19Å
46S88.2Confident79.9Confident46 Ų4653.8 Ų53.832%0.32229%0.287SS..EExtended strand (participates in β ladder)trans-120.5137.9170.759.50000109.7V24 S25 F50V24-S46 WeakPolarHBondContact CA-O 3.47Å; S25-S46 WeakPolarHBondContact CB-OG 3.47Å; S25-S46 PolarHBondContact N-O 3.4Å; S25-S46 PolarHBondContact O-N 2.96Å; S46-F50 WeakPolarHBondContact CA-O 3.33Å
47A88.3Confident80.1Confident0 Ų049.4 Ų49.40%026%0.261CS..EExtended strand (participates in β ladder)trans-147.4106.4173.600000109.1V24 D49 F50 L70 W83V24-A47 HydrophobicContact CG2-CB 4.17Å; A47-D49 PolarHBondContact O-N 3.27Å; A47-F50 PolarHBondContact N-O 3.37Å; A47-F50 PolarHBondContact O-N 3.41Å; A47-L70 HydrophobicContact CB-CD1 3.78Å; A47-L70 HydrophobicContact CB-CD2 4.18Å; A47-W83 HydrophobicContact CB-CH2 3.86Å
48G84.2Confident81Confident42 Ų4245.6 Ų45.643%0.43324%0.241SC..THydrogen-bonded Turntrans58.6-130.1-168.300000111.1F50G48-F50 VanDerWaalsContact C-N 3.27Å; G48-F50 PolarHBondContact O-N 2.88Å
49D85.6Confident81.7Confident166 Ų16646 Ų4689%0.88825%0.245SC*.THydrogen-bonded Turntrans-81.5-4-180-56.5-41.4000113.7A47A47-D49 PolarHBondContact O-N 3.27Å
50F86Confident82.2Confident46 Ų4649.1 Ų49.120%0.20226%0.255CS..EExtended strand (participates in β ladder)trans-97.7133.2-176.3-60.8-83.7000111.6S46 A47 G48 L70 K73 V74 A79 W83S46-F50 WeakPolarHBondContact CA-O 3.33Å; A47-F50 PolarHBondContact N-O 3.37Å; A47-F50 PolarHBondContact O-N 3.41Å; G48-F50 VanDerWaalsContact C-N 3.27Å; G48-F50 PolarHBondContact O-N 2.88Å; F50-L70 HydrophobicContact CB-CD1 4.28Å; F50-L70 HydrophobicContact CB-CD2 4.11Å; F50-L70 HydrophobicContact CB-CG 3.9Å; F50-L70 VanDerWaalsContact O-CD1 3.29Å; F50-L70 WeakPolarHBondContact O-CD1 3.26Å; F50-K73 HydrophobicContact CD1-CB 4.29Å; F50-V74 HydrophobicContact CB-CG2 4.03Å; F50-V74 HydrophobicContact CD1-CB 4.5Å; F50-V74 HydrophobicContact CD1-CG2 3.82Å; F50-V74 HydrophobicContact CD2-CG2 3.65Å; F50-V74 HydrophobicContact CE1-CB 4.47Å; F50-V74 HydrophobicContact CE1-CG2 4.17Å; F50-V74 HydrophobicContact CE2-CG2 4.01Å; F50-V74 HydrophobicContact CG-CG2 3.54Å; F50-V74 HydrophobicContact CZ-CG2 4.26Å; F50-A79 HydrophobicContact CE2-CB 4.16Å; F50-A79 HydrophobicContact CZ-CB 3.69Å; F50-W83 HydrophobicContact CD2-CH2 4.41Å; F50-W83 AromaticContact CD2-CZ2 3.69Å; F50-W83 HydrophobicContact CD2-CZ2 3.69Å; F50-W83 HydrophobicContact CE2-CZ2 4.12Å
51L85.4Confident82.7Confident72 Ų7248.2 Ų48.238%0.37725%0.25SS..EExtended strand (participates in β ladder)trans-119.1123.4177.3-164.786.5000110.9R44 V45 K73R44-L51 HydrophobicContact CG-CD1 3.81Å; R44-L51 HydrophobicContact CG-CD2 4.24Å; R44-L51 HydrophobicContact CG-CG 4.03Å; V45-L51 CarbonylContact O-C 3.55Å; V45-L51 WeakPolarHBondContact O-CA 3.5Å; L51-K73 WeakPolarHBondContact O-CD 3.25Å; L51-K73 WeakPolarHBondContact O-CE 3.34Å; L51-K73 PolarHBondContact O-NZ 3.32Å
52G81.5Confident82.9Confident0 Ų046.1 Ų46.10%024%0.241CC..EExtended strand (participates in β ladder)trans-110.9155.4170.200000112R44 V45R44-G52 CarbonylContact C-O 3.58Å; R44-G52 WeakPolarHBondContact CA-O 3.5Å; V45-G52 PolarHBondContact N-O 3.04Å; V45-G52 PolarHBondContact O-N 2.99Å
53S80.4Confident83.2Confident54 Ų5447.5 Ų47.538%0.37825%0.247SC..EExtended strand (participates in β ladder)trans-138.6144.7175.558.60000108.5V43 Q69V43-S53 CarbonylContact O-C 3.6Å; V43-S53 WeakPolarHBondContact O-CA 3.44Å; S53-Q69 PolarHBondContact O-OE1 3.49Å; S53-Q69 PolarHBondContact OG-OE1 2.84Å
54G75.9Confident83.6Confident11 Ų1147.5 Ų47.511%0.11325%0.247CC..EExtended strand (participates in β ladder)trans-161.3152.4179.800000110.4V43V43-G54 PolarHBondContact N-O 2.8Å; V43-G54 PolarHBondContact O-N 2.8Å; V43-G54 VanDerWaalsContact O-O 3.1Å
55F81.2Confident83.7Confident107 Ų10746.6 Ų46.647%0.46924%0.244SC..EExtended strand (participates in β ladder)trans-128.7155.3176.363.6-90000110.7L40 F41 F42 R65L40-F55 HydrophobicContact CD1-CD2 4.44Å; F41-F55 CarbonylContact O-C 3.55Å; F41-F55 WeakPolarHBondContact O-CA 3.41Å; F41-F55 WeakPolarHBondContact O-CB 3.26Å; F42-F55 HydrophobicContact CD1-CB 3.75Å; F42-F55 HydrophobicContact CD1-CG 4.48Å; F42-F55 HydrophobicContact CD2-CB 4.44Å; F42-F55 HydrophobicContact CE1-CB 3.89Å; F42-F55 HydrophobicContact CE1-CD1 4.37Å; F42-F55 HydrophobicContact CE1-CG 4.2Å; F42-F55 HydrophobicContact CG-CB 4.06Å; F42-F55 HydrophobicContact CZ-CB 4.3Å; F55-R65 WeakPolarHBondContact O-CD 3.45Å; F55-R65 PolarHBondContact O-NH1 2.94Å
56G75.8Confident83.8Confident0 Ų046.6 Ų46.60%024%0.244CC..EExtended strand (participates in β ladder)trans-165.8166.6177.700000112.2F41 N58F41-G56 PolarHBondContact N-O 3.41Å; F41-G56 PolarHBondContact O-N 2.78Å; G56-N58 PolarHBondContact O-N 3.33Å; G56-N58 VanDerWaalsContact O-N 3.14Å
57K74.9Confident83.9Confident41 Ų4144.4 Ų44.418%0.17823%0.228CC..SBendtrans-65.4-14.7178.7-52.6-166177.5-157.20113.8E38 L40 A108E38-K57 IonicContact OE1-NZ 2.97Å; E38-K57 PolarHBondContact OE1-NZ 2.87Å; E38-K57 IonicContact OE2-NZ 2.79Å; L40-K57 HydrophobicContact CD2-CG 4.27Å; K57-A108 HydrophobicContact CB-CB 3.61Å; K57-A108 HydrophobicContact CD-CB 4.18Å
58N82.3Confident83.9Confident35 Ų3546.1 Ų46.119%0.18724%0.237CC..SBendtrans-143.3160.11736158.1000110G56 K60 V61 A62G56-N58 PolarHBondContact O-N 3.33Å; G56-N58 VanDerWaalsContact O-N 3.14Å; N58-K60 PolarHBondContact O-N 3.03Å; N58-K60 WeakPolarHBondContact OD1-CB 3.48Å; N58-K60 PolarHBondContact OD1-N 3.46Å; N58-V61 PolarHBondContact O-N 2.92Å; N58-V61 WeakPolarHBondContact OD1-CB 3.35Å; N58-V61 VanDerWaalsContact OD1-CG2 3.29Å; N58-V61 WeakPolarHBondContact OD1-CG2 3.48Å; N58-V61 PolarHBondContact OD1-N 3.42Å; N58-A62 PolarHBondContact O-N 3.04Å
59L83.8Confident84Confident60 Ų6047 Ų4731%0.31423%0.231SC..Hα-helixtrans-59.1-30.6-177.6-169.366.8000113Q28 V43 K63Q28-L59 HydrophobicContact CG-CD1 4.49Å; V43-L59 HydrophobicContact CG2-CD1 3.59Å; L59-K63 HydrophobicContact CG-CD 4.3Å; L59-K63 WeakPolarHBondContact O-CB 3.45Å; L59-K63 VanDerWaalsContact O-CG 3.25Å; L59-K63 WeakPolarHBondContact O-CG 3.32Å; L59-K63 PolarHBondContact O-N 3.18Å
60K86.7Confident84.2Confident144 Ų14439.1 Ų39.163%0.62619%0.188SC*.Hα-helixtrans-69.8-46.1-179.4-173.5179.5179.3-178.50111.7N58 K63 A64N58-K60 PolarHBondContact O-N 3.03Å; N58-K60 WeakPolarHBondContact OD1-CB 3.48Å; N58-K60 PolarHBondContact OD1-N 3.46Å; K60-K63 PolarHBondContact O-N 3.31Å; K60-A64 WeakPolarHBondContact O-CB 3.29Å; K60-A64 PolarHBondContact O-N 2.73Å
61V83.7Confident84.3Confident3 Ų337 Ų372%0.01818%0.179CC..Hα-helixtrans-66.6-42.1175.4173.40000110.2N58 K63 A64 R65 E105N58-V61 PolarHBondContact O-N 2.92Å; N58-V61 WeakPolarHBondContact OD1-CB 3.35Å; N58-V61 VanDerWaalsContact OD1-CG2 3.29Å; N58-V61 WeakPolarHBondContact OD1-CG2 3.48Å; N58-V61 PolarHBondContact OD1-N 3.42Å; V61-K63 PolarHBondContact O-N 3.42Å; V61-A64 PolarHBondContact O-N 3.4Å; V61-R65 HydrophobicContact CG1-CG 4.48Å; V61-R65 WeakPolarHBondContact O-CB 3.34Å; V61-R65 PolarHBondContact O-N 2.78Å; V61-E105 HydrophobicContact CG1-CG 3.88Å; V61-E105 HydrophobicContact CG2-CG 4.05Å
62A84.1Confident84.4Confident0 Ų036.8 Ų36.80%018%0.176CC..Hα-helixtrans-58.5-47.617600000111.6F41 V43 N58 A64 R65 A66F41-A62 HydrophobicContact CB-CB 4.1Å; F41-A62 VanDerWaalsContact O-CB 3.24Å; F41-A62 WeakPolarHBondContact O-CB 3.5Å; V43-A62 HydrophobicContact CB-CB 4.07Å; V43-A62 HydrophobicContact CG2-CB 3.58Å; N58-A62 PolarHBondContact O-N 3.04Å; A62-A64 PolarHBondContact O-N 3.19Å; A62-R65 PolarHBondContact O-N 2.83Å; A62-A66 VanDerWaalsContact O-CB 3.29Å; A62-A66 WeakPolarHBondContact O-CB 3.22Å; A62-A66 PolarHBondContact O-N 2.79Å
63K89.4Confident84.6Confident69 Ų6941.1 Ų41.130%0.320%0.195SC..Hα-helixtrans-61.3-41.9174.5-77.6177.5177.2-174.60112.8I10 F26 V43 L59 K60 V61 A66 S67I10-K63 HydrophobicContact CD1-CB 3.81Å; I10-K63 HydrophobicContact CG1-CB 4.49Å; F26-K63 HydrophobicContact CD1-CB 4.26Å; F26-K63 HydrophobicContact CD1-CD 4.36Å; F26-K63 HydrophobicContact CD1-CG 3.82Å; F26-K63 HydrophobicContact CE1-CB 4.09Å; F26-K63 HydrophobicContact CE1-CG 4.16Å; F26-K63 HydrophobicContact CG-CG 4.42Å; V43-K63 HydrophobicContact CG1-CG 3.9Å; V43-K63 HydrophobicContact CG2-CG 4.36Å; L59-K63 HydrophobicContact CG-CD 4.3Å; L59-K63 WeakPolarHBondContact O-CB 3.45Å; L59-K63 VanDerWaalsContact O-CG 3.25Å; L59-K63 WeakPolarHBondContact O-CG 3.32Å; L59-K63 PolarHBondContact O-N 3.18Å; K60-K63 PolarHBondContact O-N 3.31Å; V61-K63 PolarHBondContact O-N 3.42Å; K63-A66 PolarHBondContact O-N 3.04Å; K63-S67 WeakPolarHBondContact O-CB 3.44Å; K63-S67 PolarHBondContact O-N 3.25Å; K63-S67 PolarHBondContact O-OG 3.25Å
64A88.3Confident84.9Confident1 Ų138.5 Ų38.51%0.00818%0.177CC..Hα-helixtrans-66.2-44.4179.900000112.1I10 K60 V61 A62 S67 L68 C102I10-A64 HydrophobicContact CD1-CB 4.03Å; I10-A64 HydrophobicContact CG1-CB 3.97Å; K60-A64 WeakPolarHBondContact O-CB 3.29Å; K60-A64 PolarHBondContact O-N 2.73Å; V61-A64 PolarHBondContact O-N 3.4Å; A62-A64 PolarHBondContact O-N 3.19Å; A64-S67 WeakPolarHBondContact O-CB 3.09Å; A64-S67 PolarHBondContact O-N 3.47Å; A64-L68 WeakPolarHBondContact O-CB 3.37Å; A64-L68 PolarHBondContact O-N 2.94Å; A64-C102 WeakPolarHBondContact CB-O 3.29Å
65R84.5Confident85.4Confident81 Ų8138 Ų3831%0.30617%0.172SC..Hα-helixtrans-64.9-41.9174.3-78.1178.3174.5146.84.5112.3F55 V61 A62 S67 L68 Q69 E105F55-R65 WeakPolarHBondContact O-CD 3.45Å; F55-R65 PolarHBondContact O-NH1 2.94Å; V61-R65 HydrophobicContact CG1-CG 4.48Å; V61-R65 WeakPolarHBondContact O-CB 3.34Å; V61-R65 PolarHBondContact O-N 2.78Å; A62-R65 PolarHBondContact O-N 2.83Å; R65-S67 VanDerWaalsContact C-N 3.31Å; R65-S67 PolarHBondContact O-N 2.9Å; R65-L68 WeakPolarHBondContact O-CB 3.4Å; R65-L68 PolarHBondContact O-N 2.97Å; R65-Q69 PolarHBondContact O-N 3.31Å; R65-E105 IonicContact CZ-OE1 3.94Å; R65-E105 IonicContact NH1-OE1 3.54Å; R65-E105 PolarHBondContact NH1-OE1 2.85Å; R65-E105 IonicContact NH2-OE1 3.43Å; R65-E105 PolarHBondContact NH2-OE1 2.75Å; R65-E105 IonicContact NH2-OE2 2.7Å; R65-E105 PolarHBondContact NH2-OE2 2.73Å
66A89Confident85.5Confident0 Ų038.8 Ų38.80%018%0.176CC..Hα-helixtrans-59.9-44.4175.400000111V43 V45 A62 K63 L68 Q69 L70V43-A66 HydrophobicContact CB-CB 4.49Å; V43-A66 HydrophobicContact CG1-CB 4.25Å; V45-A66 HydrophobicContact CB-CB 4.28Å; V45-A66 HydrophobicContact CG1-CB 3.81Å; V45-A66 WeakPolarHBondContact CG1-O 3.46Å; A62-A66 VanDerWaalsContact O-CB 3.29Å; A62-A66 WeakPolarHBondContact O-CB 3.22Å; A62-A66 PolarHBondContact O-N 2.79Å; K63-A66 PolarHBondContact O-N 3.04Å; A66-L68 VanDerWaalsContact C-N 3.35Å; A66-L68 PolarHBondContact O-N 2.7Å; A66-Q69 PolarHBondContact O-N 2.91Å; A66-L70 PolarHBondContact O-N 2.82Å
67S90.6Very high85.7Confident0 Ų041.2 Ų41.20%020%0.201CC..Hα-helixtrans-62.1-41.8175.8-560000111.9F26 K63 A64 R65 L70 L71F26-S67 WeakPolarHBondContact CE1-OG 3.4Å; F26-S67 WeakPolarHBondContact CZ-OG 3.48Å; K63-S67 WeakPolarHBondContact O-CB 3.44Å; K63-S67 PolarHBondContact O-N 3.25Å; K63-S67 PolarHBondContact O-OG 3.25Å; A64-S67 WeakPolarHBondContact O-CB 3.09Å; A64-S67 PolarHBondContact O-N 3.47Å; R65-S67 VanDerWaalsContact C-N 3.31Å; R65-S67 PolarHBondContact O-N 2.9Å; S67-L70 PolarHBondContact O-N 3.46Å; S67-L71 WeakPolarHBondContact O-CG 3.47Å; S67-L71 PolarHBondContact O-N 2.84Å
68L88.3Confident85.8Confident36 Ų3643.9 Ų43.919%0.18822%0.217CC..Hα-helixtrans-63.5-45.5177.9-168.8128000111.4V9 A64 R65 A66 L70 L71 Q72V9-L68 HydrophobicContact CG1-CB 4.02Å; V9-L68 HydrophobicContact CG1-CD1 4.49Å; V9-L68 HydrophobicContact CG2-CD1 4.09Å; A64-L68 WeakPolarHBondContact O-CB 3.37Å; A64-L68 PolarHBondContact O-N 2.94Å; R65-L68 WeakPolarHBondContact O-CB 3.4Å; R65-L68 PolarHBondContact O-N 2.97Å; A66-L68 VanDerWaalsContact C-N 3.35Å; A66-L68 PolarHBondContact O-N 2.7Å; L68-L70 VanDerWaalsContact C-N 3.29Å; L68-L70 PolarHBondContact O-N 3.47Å; L68-L71 PolarHBondContact O-N 3.44Å; L68-Q72 HydrophobicContact CD2-CG 4.35Å; L68-Q72 WeakPolarHBondContact O-CG 3.35Å; L68-Q72 PolarHBondContact O-N 3.35Å
69Q86.7Confident85.5Confident62 Ų6242.9 Ų42.929%0.2921%0.214SC..Hα-helixtrans-62.5-38.6177.1-161.7-164.134.900111.4S53 R65 A66 Q72 K73S53-Q69 PolarHBondContact O-OE1 3.49Å; S53-Q69 PolarHBondContact OG-OE1 2.84Å; R65-Q69 PolarHBondContact O-N 3.31Å; A66-Q69 PolarHBondContact O-N 2.91Å; Q69-Q72 PolarHBondContact O-N 3.38Å; Q69-K73 WeakPolarHBondContact O-CG 3.38Å; Q69-K73 PolarHBondContact O-N 2.9Å
70L89.2Confident85.3Confident0 Ų040.4 Ų40.40%020%0.201CC..Hα-helixtrans-61.8-49.8174.8-172.9150.8000111L13 V45 A47 F50 A66 S67 L68 Q72 K73 V74 W83L13-L70 HydrophobicContact CD1-CD2 3.72Å; V45-L70 HydrophobicContact CB-CD1 4.48Å; V45-L70 HydrophobicContact CG1-CB 3.87Å; V45-L70 HydrophobicContact CG1-CD1 3.78Å; V45-L70 HydrophobicContact CG1-CG 4.49Å; V45-L70 HydrophobicContact CG2-CD1 4.19Å; A47-L70 HydrophobicContact CB-CD1 3.78Å; A47-L70 HydrophobicContact CB-CD2 4.18Å; F50-L70 HydrophobicContact CB-CD1 4.28Å; F50-L70 HydrophobicContact CB-CD2 4.11Å; F50-L70 HydrophobicContact CB-CG 3.9Å; F50-L70 VanDerWaalsContact O-CD1 3.29Å; F50-L70 WeakPolarHBondContact O-CD1 3.26Å; A66-L70 PolarHBondContact O-N 2.82Å; S67-L70 PolarHBondContact O-N 3.46Å; L68-L70 VanDerWaalsContact C-N 3.29Å; L68-L70 PolarHBondContact O-N 3.47Å; L70-Q72 VanDerWaalsContact C-N 3.28Å; L70-Q72 PolarHBondContact O-N 3.49Å; L70-K73 WeakPolarHBondContact O-CA 3.38Å; L70-K73 WeakPolarHBondContact O-CB 3.37Å; L70-K73 PolarHBondContact O-N 3.35Å; L70-V74 HydrophobicContact CD2-CG2 3.89Å; L70-V74 WeakPolarHBondContact O-CG2 3.42Å; L70-V74 PolarHBondContact O-N 2.91Å; L70-W83 HydrophobicContact CD2-CH2 3.91Å; L70-W83 HydrophobicContact CD2-CZ3 4.02Å
71L88.3Confident84.8Confident0 Ų040.8 Ų40.80%020%0.202CC..Hα-helixtrans-61.8-37.4178.5-68.4171.6000111.9V9 F12 L13 L16 S67 L68 V74 I75 W83 I85 L97V9-L71 HydrophobicContact CG1-CD1 4.09Å; F12-L71 HydrophobicContact CD1-CD1 3.93Å; F12-L71 HydrophobicContact CE1-CD1 4.46Å; L13-L71 HydrophobicContact CB-CD1 4.42Å; L13-L71 HydrophobicContact CD1-CD2 3.77Å; L13-L71 HydrophobicContact CD1-CG 4.15Å; L16-L71 HydrophobicContact CD1-CD2 3.61Å; S67-L71 WeakPolarHBondContact O-CG 3.47Å; S67-L71 PolarHBondContact O-N 2.84Å; L68-L71 PolarHBondContact O-N 3.44Å; L71-V74 WeakPolarHBondContact O-CB 3.11Å; L71-V74 PolarHBondContact O-N 3.24Å; L71-I75 WeakPolarHBondContact O-CG1 3.31Å; L71-I75 PolarHBondContact O-N 3.41Å; L71-W83 HydrophobicContact CD2-CE3 4.41Å; L71-W83 HydrophobicContact CD2-CZ3 4.38Å; L71-I85 HydrophobicContact CD2-CD1 4.33Å; L71-L97 HydrophobicContact CB-CD1 3.73Å; L71-L97 HydrophobicContact CB-CD2 3.98Å; L71-L97 HydrophobicContact CD1-CD2 3.7Å; L71-L97 HydrophobicContact CG-CD2 4.43Å
72Q87.3Confident84.5Confident68 Ų6844.4 Ų44.432%0.31823%0.228SC..Hα-helixtrans-60.5-44.5171.5-74175.9-24.700111.3L68 Q69 L70 V74 I75 H76 L94 L97L68-Q72 HydrophobicContact CD2-CG 4.35Å; L68-Q72 WeakPolarHBondContact O-CG 3.35Å; L68-Q72 PolarHBondContact O-N 3.35Å; Q69-Q72 PolarHBondContact O-N 3.38Å; L70-Q72 VanDerWaalsContact C-N 3.28Å; L70-Q72 PolarHBondContact O-N 3.49Å; Q72-V74 VanDerWaalsContact C-N 3.33Å; Q72-V74 PolarHBondContact O-N 3.21Å; Q72-I75 PolarHBondContact O-N 3.41Å; Q72-H76 PolarHBondContact O-N 2.92Å; Q72-H76 PolarHBondContact O-ND1 3.21Å; Q72-L94 HydrophobicContact CG-CD2 3.88Å; Q72-L97 HydrophobicContact CG-CD1 4.05Å
73K86.7Confident84.3Confident91 Ų9145.1 Ų45.140%0.39623%0.23SC..Hα-helixtrans-63.5-37.2176.3-74.7-179.6178.8-176.10112.8F50 L51 Q69 L70 I75 H76 G77F50-K73 HydrophobicContact CD1-CB 4.29Å; L51-K73 WeakPolarHBondContact O-CD 3.25Å; L51-K73 WeakPolarHBondContact O-CE 3.34Å; L51-K73 PolarHBondContact O-NZ 3.32Å; Q69-K73 WeakPolarHBondContact O-CG 3.38Å; Q69-K73 PolarHBondContact O-N 2.9Å; L70-K73 WeakPolarHBondContact O-CA 3.38Å; L70-K73 WeakPolarHBondContact O-CB 3.37Å; L70-K73 PolarHBondContact O-N 3.35Å; K73-I75 VanDerWaalsContact C-N 3.32Å; K73-I75 PolarHBondContact O-N 3.04Å; K73-H76 PolarHBondContact O-N 3.16Å; K73-G77 PolarHBondContact O-N 2.9Å
74V87.1Confident83.8Confident0 Ų043.8 Ų43.80%024%0.236CC..Hα-helixtrans-60.2-42.2172.8174.50000111F50 L70 L71 Q72 A79 W83 I85F50-V74 HydrophobicContact CB-CG2 4.03Å; F50-V74 HydrophobicContact CD1-CB 4.5Å; F50-V74 HydrophobicContact CD1-CG2 3.82Å; F50-V74 HydrophobicContact CD2-CG2 3.65Å; F50-V74 HydrophobicContact CE1-CB 4.47Å; F50-V74 HydrophobicContact CE1-CG2 4.17Å; F50-V74 HydrophobicContact CE2-CG2 4.01Å; F50-V74 HydrophobicContact CG-CG2 3.54Å; F50-V74 HydrophobicContact CZ-CG2 4.26Å; L70-V74 HydrophobicContact CD2-CG2 3.89Å; L70-V74 WeakPolarHBondContact O-CG2 3.42Å; L70-V74 PolarHBondContact O-N 2.91Å; L71-V74 WeakPolarHBondContact O-CB 3.11Å; L71-V74 PolarHBondContact O-N 3.24Å; Q72-V74 VanDerWaalsContact C-N 3.33Å; Q72-V74 PolarHBondContact O-N 3.21Å; V74-A79 HydrophobicContact CG1-CB 3.94Å; V74-A79 PolarHBondContact O-N 2.91Å; V74-W83 HydrophobicContact CG1-CB 4.16Å; V74-W83 HydrophobicContact CG1-CD2 3.68Å; V74-W83 HydrophobicContact CG1-CE3 4.12Å; V74-W83 HydrophobicContact CG1-CG 3.67Å; V74-W83 HydrophobicContact CG2-CD2 4.15Å; V74-W83 HydrophobicContact CG2-CE3 4.11Å; V74-W83 HydrophobicContact CG2-CH2 3.9Å; V74-W83 HydrophobicContact CG2-CZ2 3.92Å; V74-W83 HydrophobicContact CG2-CZ3 3.99Å; V74-I85 HydrophobicContact CG1-CD1 4.21Å
75I84.7Confident83.3Confident1 Ų144.1 Ų44.11%0.00524%0.238CC..Hα-helixtrans-67.7-43.9177.1-63.5162.9000111.9L71 Q72 K73 G77 D78 F80 I85 K90 A93 L94 L97L71-I75 WeakPolarHBondContact O-CG1 3.31Å; L71-I75 PolarHBondContact O-N 3.41Å; Q72-I75 PolarHBondContact O-N 3.41Å; K73-I75 VanDerWaalsContact C-N 3.32Å; K73-I75 PolarHBondContact O-N 3.04Å; I75-G77 VanDerWaalsContact C-N 3.29Å; I75-G77 PolarHBondContact O-N 3.32Å; I75-D78 PolarHBondContact O-N 2.84Å; I75-F80 HydrophobicContact CB-CB 4.33Å; I75-F80 HydrophobicContact CG1-CB 3.81Å; I75-F80 HydrophobicContact CG2-CD1 4.25Å; I75-I85 HydrophobicContact CD1-CD1 4.36Å; I75-I85 HydrophobicContact CG1-CD1 3.9Å; I75-K90 HydrophobicContact CG2-CB 4.08Å; I75-K90 HydrophobicContact CG2-CG 4.29Å; I75-A93 HydrophobicContact CD1-CB 3.71Å; I75-A93 HydrophobicContact CG1-CB 3.98Å; I75-A93 HydrophobicContact CG2-CB 4.12Å; I75-L94 HydrophobicContact CD1-CD2 4.17Å; I75-L94 HydrophobicContact CD1-CG 4.47Å; I75-L94 HydrophobicContact CG2-CG 4.42Å; I75-L97 HydrophobicContact CD1-CD1 3.43Å; I75-L97 VanDerWaalsContact CD1-CD1 3.43Å; I75-L97 HydrophobicContact CD1-CG 4.02Å
76H83.7Confident82.8Confident123 Ų12343.1 Ų43.157%0.56924%0.242SC*.Hα-helixtrans-65-35178.3-73.586.1000112.1Q72 K73 D78Q72-H76 PolarHBondContact O-N 2.92Å; Q72-H76 PolarHBondContact O-ND1 3.21Å; K73-H76 PolarHBondContact O-N 3.16Å; H76-D78 PolarHBondContact O-N 3.28Å
77G80Confident82Confident50 Ų5044.3 Ų44.352%0.51525%0.254SS..THydrogen-bonded Turntrans-78.613.9175.500000115.2K73 I75 A79K73-G77 PolarHBondContact O-N 2.9Å; I75-G77 VanDerWaalsContact C-N 3.29Å; I75-G77 PolarHBondContact O-N 3.32Å; G77-A79 PolarHBondContact O-N 2.96Å
78D76.8Confident81.1Confident97 Ų9750.7 Ų50.752%0.51929%0.288SS..THydrogen-bonded Turntrans5813.6-179.5-76.5-54.6000115.3I75 H76 F80 K90I75-D78 PolarHBondContact O-N 2.84Å; H76-D78 PolarHBondContact O-N 3.28Å; D78-F80 VanDerWaalsContact C-N 3.33Å; D78-K90 VanDerWaalsContact CG-CE 3.46Å; D78-K90 VanDerWaalsContact CG-NZ 3.27Å; D78-K90 WeakPolarHBondContact OD1-CE 3.24Å; D78-K90 IonicContact OD1-NZ 2.73Å; D78-K90 PolarHBondContact OD1-NZ 3.48Å; D78-K90 VanDerWaalsContact OD1-NZ 3.08Å; D78-K90 IonicContact OD2-NZ 3.08Å; D78-K90 PolarHBondContact OD2-NZ 3.08Å
79A77.6Confident80.9Confident15 Ų1552.1 Ų52.112%0.12430%0.298CS..THydrogen-bonded Turntrans-895.7178.200000113.2F50 V74 G77 K81 S82 W83F50-A79 HydrophobicContact CE2-CB 4.16Å; F50-A79 HydrophobicContact CZ-CB 3.69Å; V74-A79 HydrophobicContact CG1-CB 3.94Å; V74-A79 PolarHBondContact O-N 2.91Å; G77-A79 PolarHBondContact O-N 2.96Å; A79-K81 VanDerWaalsContact C-N 3.31Å; A79-K81 PolarHBondContact O-N 3.23Å; A79-S82 PolarHBondContact O-N 3.18Å; A79-S82 PolarHBondContact O-OG 2.93Å; A79-W83 WeakPolarHBondContact O-CB 3.49Å; A79-W83 VanDerWaalsContact O-CD1 3.25Å; A79-W83 PolarHBondContact O-N 3.23Å
80F77.9Confident80.7Confident7 Ų753.1 Ų53.13%0.03130%0.302CS..Hα-helixtrans-66-32.7179.864.7-84.9000113.1I75 D78 W83 G84 I85 G87 K90 A93I75-F80 HydrophobicContact CB-CB 4.33Å; I75-F80 HydrophobicContact CG1-CB 3.81Å; I75-F80 HydrophobicContact CG2-CD1 4.25Å; D78-F80 VanDerWaalsContact C-N 3.33Å; F80-W83 PolarHBondContact O-N 3.49Å; F80-G84 PolarHBondContact O-N 3.14Å; F80-G84 VanDerWaalsContact O-N 3.1Å; F80-I85 HydrophobicContact CB-CB 4.19Å; F80-I85 HydrophobicContact CB-CD1 4.04Å; F80-I85 HydrophobicContact CB-CG1 4.43Å; F80-I85 PolarHBondContact O-N 3.39Å; F80-G87 WeakPolarHBondContact CE2-O 3.47Å; F80-K90 HydrophobicContact CE1-CG 4Å; F80-K90 HydrophobicContact CZ-CG 4.44Å; F80-A93 HydrophobicContact CD2-CB 4.44Å
81K76.3Confident80.3Confident152 Ų15260.7 Ų60.766%0.66134%0.337SS*.Hα-helixtrans-68.3-42.8175.2-67.1-172.5179.2-177.10111.9A79 W83 G84A79-K81 VanDerWaalsContact C-N 3.31Å; A79-K81 PolarHBondContact O-N 3.23Å; K81-W83 VanDerWaalsContact C-N 3.3Å; K81-W83 PolarHBondContact O-N 3.13Å; K81-G84 PolarHBondContact O-N 3.28Å
82S78.9Confident80Confident79 Ų7965.1 Ų65.155%0.55236%0.358SS*.Hα-helixtrans-68.5-33.7177.458.20000111.4N20 A79 G84N20-S82 PolarHBondContact OD1-O 3.26Å; A79-S82 PolarHBondContact O-N 3.18Å; A79-S82 PolarHBondContact O-OG 2.93Å; S82-G84 VanDerWaalsContact C-N 3.32Å; S82-G84 PolarHBondContact O-N 2.97Å
83W79.4Confident79.7Confident15 Ų1561.9 Ų61.96%0.05734%0.343CS..Hα-helixtrans-75.7-20.9178.4-79.646.2000113.8L13 L16 N20 L22 A47 F50 L70 L71 V74 A79 F80 K81 I85L13-W83 HydrophobicContact CD1-CZ3 3.91Å; L16-W83 HydrophobicContact CB-CE3 4.07Å; L16-W83 HydrophobicContact CD1-CE3 4.35Å; L16-W83 WeakPolarHBondContact CD2-O 3.27Å; N20-W83 WeakPolarHBondContact ND2-CA 3.5Å; N20-W83 PolarHBondContact ND2-O 3.33Å; L22-W83 HydrophobicContact CD1-CH2 3.87Å; L22-W83 HydrophobicContact CD1-CZ2 3.27Å; A47-W83 HydrophobicContact CB-CH2 3.86Å; F50-W83 HydrophobicContact CD2-CH2 4.41Å; F50-W83 AromaticContact CD2-CZ2 3.69Å; F50-W83 HydrophobicContact CD2-CZ2 3.69Å; F50-W83 HydrophobicContact CE2-CZ2 4.12Å; L70-W83 HydrophobicContact CD2-CH2 3.91Å; L70-W83 HydrophobicContact CD2-CZ3 4.02Å; L71-W83 HydrophobicContact CD2-CE3 4.41Å; L71-W83 HydrophobicContact CD2-CZ3 4.38Å; V74-W83 HydrophobicContact CG1-CB 4.16Å; V74-W83 HydrophobicContact CG1-CD2 3.68Å; V74-W83 HydrophobicContact CG1-CE3 4.12Å; V74-W83 HydrophobicContact CG1-CG 3.67Å; V74-W83 HydrophobicContact CG2-CD2 4.15Å; V74-W83 HydrophobicContact CG2-CE3 4.11Å; V74-W83 HydrophobicContact CG2-CH2 3.9Å; V74-W83 HydrophobicContact CG2-CZ2 3.92Å; V74-W83 HydrophobicContact CG2-CZ3 3.99Å; A79-W83 WeakPolarHBondContact O-CB 3.49Å; A79-W83 VanDerWaalsContact O-CD1 3.25Å; A79-W83 PolarHBondContact O-N 3.23Å; F80-W83 PolarHBondContact O-N 3.49Å; K81-W83 VanDerWaalsContact C-N 3.3Å; K81-W83 PolarHBondContact O-N 3.13Å; W83-I85 HydrophobicContact CB-CG1 4.25Å
84G78.6Confident79.5Confident41 Ų4160.3 Ų60.342%0.42334%0.339SS..THydrogen-bonded Turntrans81.432.7-177.300000113.4F80 K81 S82F80-G84 PolarHBondContact O-N 3.14Å; F80-G84 VanDerWaalsContact O-N 3.1Å; K81-G84 PolarHBondContact O-N 3.28Å; S82-G84 VanDerWaalsContact C-N 3.32Å; S82-G84 PolarHBondContact O-N 2.97Å
85I78.4Confident79.2Confident8 Ų868.1 Ų68.14%0.04137%0.372CS..  trans-76128.9172.6-55.9177.8000108L16 L71 V74 I75 F80 W83 G87 A93L16-I85 HydrophobicContact CD1-CD1 4.35Å; L16-I85 HydrophobicContact CD1-CG1 3.83Å; L16-I85 HydrophobicContact CD2-CG1 4.41Å; L71-I85 HydrophobicContact CD2-CD1 4.33Å; V74-I85 HydrophobicContact CG1-CD1 4.21Å; I75-I85 HydrophobicContact CD1-CD1 4.36Å; I75-I85 HydrophobicContact CG1-CD1 3.9Å; F80-I85 HydrophobicContact CB-CB 4.19Å; F80-I85 HydrophobicContact CB-CD1 4.04Å; F80-I85 HydrophobicContact CB-CG1 4.43Å; F80-I85 PolarHBondContact O-N 3.39Å; W83-I85 HydrophobicContact CB-CG1 4.25Å; I85-G87 PolarHBondContact O-N 3.25Å; I85-A93 HydrophobicContact CG2-CB 4.04Å
86P73.5Confident79.1Confident61 Ų6171.3 Ų71.340%0.39639%0.386SS..SBendtrans-67.4129.7179.627.1-33.4000111.4F96P86-F96 HydrophobicContact CG-CB 4.43Å; P86-F96 HydrophobicContact CG-CD1 3.63Å; P86-F96 HydrophobicContact CG-CD2 3.66Å; P86-F96 HydrophobicContact CG-CE1 3.67Å; P86-F96 HydrophobicContact CG-CE2 3.69Å; P86-F96 HydrophobicContact CG-CG 3.62Å; P86-F96 HydrophobicContact CG-CZ 3.69Å
87G72.4Confident79Confident24 Ų2465.6 Ų65.625%0.24736%0.36CS..  trans139.8128.8-179.800000111F80 I85F80-G87 WeakPolarHBondContact CE2-O 3.47Å; I85-G87 PolarHBondContact O-N 3.25Å
88D71.9Confident79Confident134 Ų13466.5 Ų66.572%0.71737%0.369SS*.SBendtrans-80.1-26.5178.8-74.2-34.7000111.6E92D88-E92 PolarHBondContact N-OE2 3.07Å
89T83.2Confident79.2Confident66 Ų6666.8 Ų66.841%0.40538%0.375SS..SBendtrans-114.5158177.765.30000111.5E91 E92 A93T89-E91 PolarHBondContact O-N 3.3Å; T89-E92 PolarHBondContact O-N 3.48Å; T89-E92 WeakPolarHBondContact OG1-CG 3.14Å; T89-E92 PolarHBondContact OG1-N 3.02Å; T89-A93 PolarHBondContact O-N 3.29Å; T89-A93 VanDerWaalsContact O-N 3.16Å
90K82.5Confident79.2Confident84 Ų8467 Ų6737%0.36537%0.373SS..Hα-helixtrans-55.1-35.8174.7-64.7-176.9179.8-173.10111.7I75 D78 F80 L94I75-K90 HydrophobicContact CG2-CB 4.08Å; I75-K90 HydrophobicContact CG2-CG 4.29Å; D78-K90 VanDerWaalsContact CG-CE 3.46Å; D78-K90 VanDerWaalsContact CG-NZ 3.27Å; D78-K90 WeakPolarHBondContact OD1-CE 3.24Å; D78-K90 IonicContact OD1-NZ 2.73Å; D78-K90 PolarHBondContact OD1-NZ 3.48Å; D78-K90 VanDerWaalsContact OD1-NZ 3.08Å; D78-K90 IonicContact OD2-NZ 3.08Å; D78-K90 PolarHBondContact OD2-NZ 3.08Å; F80-K90 HydrophobicContact CE1-CG 4Å; F80-K90 HydrophobicContact CZ-CG 4.44Å; K90-L94 VanDerWaalsContact O-CG 3.29Å; K90-L94 WeakPolarHBondContact O-CG 3.29Å; K90-L94 PolarHBondContact O-N 2.88Å
91E81.5Confident79.1Confident158 Ų15868.6 Ų68.674%0.73839%0.386SS*.Hα-helixtrans-69.7-42.4-178.9-62.8-179.1-176.400112.4T89 L94 K95T89-E91 PolarHBondContact O-N 3.3Å; E91-L94 PolarHBondContact O-N 2.9Å; E91-K95 WeakPolarHBondContact O-CB 3.1Å; E91-K95 PolarHBondContact O-N 3.35Å
92E81.9Confident78.7Confident93 Ų9363.2 Ų63.244%0.43537%0.366SS..Hα-helixtrans-64.1-42175.6-74.5175.4-177.800111.8D88 T89 L94 K95 F96D88-E92 PolarHBondContact N-OE2 3.07Å; T89-E92 PolarHBondContact O-N 3.48Å; T89-E92 WeakPolarHBondContact OG1-CG 3.14Å; T89-E92 PolarHBondContact OG1-N 3.02Å; E92-L94 PolarHBondContact O-N 3.14Å; E92-K95 PolarHBondContact O-N 2.83Å; E92-F96 PolarHBondContact O-N 2.89Å
93A81.3Confident77.7Confident0 Ų060.4 Ų60.40%035%0.35CS..Hα-helixtrans-62.8-42.2176.500000111.6I75 F80 I85 T89 F96 L97I75-A93 HydrophobicContact CD1-CB 3.71Å; I75-A93 HydrophobicContact CG1-CB 3.98Å; I75-A93 HydrophobicContact CG2-CB 4.12Å; F80-A93 HydrophobicContact CD2-CB 4.44Å; I85-A93 HydrophobicContact CG2-CB 4.04Å; T89-A93 PolarHBondContact O-N 3.29Å; T89-A93 VanDerWaalsContact O-N 3.16Å; A93-F96 PolarHBondContact O-N 3.03Å; A93-L97 WeakPolarHBondContact O-CG 3.42Å; A93-L97 PolarHBondContact O-N 3.02Å; A93-L97 VanDerWaalsContact O-N 3.08Å
94L82.1Confident76.7Confident59 Ų5964.2 Ų64.231%0.30938%0.375SS..Hα-helixtrans-65-39.9174.8-73.8171.8000112.2Q72 I75 K90 E91 E92 F96 L97 G98Q72-L94 HydrophobicContact CG-CD2 3.88Å; I75-L94 HydrophobicContact CD1-CD2 4.17Å; I75-L94 HydrophobicContact CD1-CG 4.47Å; I75-L94 HydrophobicContact CG2-CG 4.42Å; K90-L94 VanDerWaalsContact O-CG 3.29Å; K90-L94 WeakPolarHBondContact O-CG 3.29Å; K90-L94 PolarHBondContact O-N 2.88Å; E91-L94 PolarHBondContact O-N 2.9Å; E92-L94 PolarHBondContact O-N 3.14Å; L94-F96 VanDerWaalsContact C-N 3.32Å; L94-F96 PolarHBondContact O-N 2.94Å; L94-L97 PolarHBondContact O-N 3.2Å; L94-G98 PolarHBondContact O-N 3.22Å; L94-G98 VanDerWaalsContact O-N 3.07Å
95K81.8Confident75.4Confident164 Ų16465.8 Ų65.871%0.71337%0.371SS*.Hα-helixtrans-63.9-38.3176.1-171.2176.7-178.9-178.80111.7E91 E92 G98 T99E91-K95 WeakPolarHBondContact O-CB 3.1Å; E91-K95 PolarHBondContact O-N 3.35Å; E92-K95 PolarHBondContact O-N 2.83Å; K95-G98 PolarHBondContact O-N 2.84Å; K95-T99 PolarHBondContact O-N 3.32Å; K95-T99 PolarHBondContact O-OG1 2.88Å
96F82.1Confident73.8Confident68 Ų6873.6 Ų73.630%0.29841%0.405SS..Hα-helixtrans-63.2-44.3173.4-178.6-97.2000111.7F12 P86 E92 A93 L94 G98 T99 L100F12-F96 HydrophobicContact CD1-CE1 4.39Å; F12-F96 HydrophobicContact CD2-CE1 4.38Å; F12-F96 HydrophobicContact CE1-CD1 4.29Å; F12-F96 AromaticContact CE1-CE1 3.8Å; F12-F96 HydrophobicContact CE1-CE1 3.8Å; F12-F96 AromaticContact CE2-CE1 3.82Å; F12-F96 HydrophobicContact CE2-CE1 3.82Å; F12-F96 HydrophobicContact CE2-CZ 4.32Å; F12-F96 HydrophobicContact CZ-CD1 4.22Å; F12-F96 AromaticContact CZ-CE1 3.5Å; F12-F96 HydrophobicContact CZ-CE1 3.5Å; F12-F96 HydrophobicContact CZ-CZ 4.39Å; P86-F96 HydrophobicContact CG-CB 4.43Å; P86-F96 HydrophobicContact CG-CD1 3.63Å; P86-F96 HydrophobicContact CG-CD2 3.66Å; P86-F96 HydrophobicContact CG-CE1 3.67Å; P86-F96 HydrophobicContact CG-CE2 3.69Å; P86-F96 HydrophobicContact CG-CG 3.62Å; P86-F96 HydrophobicContact CG-CZ 3.69Å; E92-F96 PolarHBondContact O-N 2.89Å; A93-F96 PolarHBondContact O-N 3.03Å; L94-F96 VanDerWaalsContact C-N 3.32Å; L94-F96 PolarHBondContact O-N 2.94Å; F96-G98 PolarHBondContact O-N 3.19Å; F96-T99 VanDerWaalsContact O-CB 3.31Å; F96-T99 WeakPolarHBondContact O-CB 3.5Å; F96-T99 PolarHBondContact O-N 2.75Å; F96-L100 HydrophobicContact CE1-CD1 4.22Å; F96-L100 HydrophobicContact CE1-CD2 4.12Å; F96-L100 HydrophobicContact CE1-CG 4.31Å; F96-L100 HydrophobicContact CZ-CD2 4.28Å
97L81.8Confident72.3Confident3 Ų377.6 Ų77.62%0.01642%0.423CS..Hα-helixtrans-59.5-35.9175.5-67.7-174000112.7F12 L71 Q72 I75 A93 L94 T99 L100F12-L97 HydrophobicContact CD1-CD2 4.38Å; F12-L97 HydrophobicContact CE1-CD2 4.17Å; L71-L97 HydrophobicContact CB-CD1 3.73Å; L71-L97 HydrophobicContact CB-CD2 3.98Å; L71-L97 HydrophobicContact CD1-CD2 3.7Å; L71-L97 HydrophobicContact CG-CD2 4.43Å; Q72-L97 HydrophobicContact CG-CD1 4.05Å; I75-L97 HydrophobicContact CD1-CD1 3.43Å; I75-L97 VanDerWaalsContact CD1-CD1 3.43Å; I75-L97 HydrophobicContact CD1-CG 4.02Å; A93-L97 WeakPolarHBondContact O-CG 3.42Å; A93-L97 PolarHBondContact O-N 3.02Å; A93-L97 VanDerWaalsContact O-N 3.08Å; L94-L97 PolarHBondContact O-N 3.2Å; L97-T99 PolarHBondContact O-N 2.75Å; L97-L100 HydrophobicContact CD2-CD1 3.76Å; L97-L100 WeakPolarHBondContact O-CB 3.5Å; L97-L100 PolarHBondContact O-N 2.97Å; L97-L100 VanDerWaalsContact O-N 3.14Å
98G79.1Confident70.9Confident68 Ų6878.5 Ų78.570%0.70143%0.428SS*.Hα-helixtrans-64.9-19.7174.700000114.2L94 K95 F96L94-G98 PolarHBondContact O-N 3.22Å; L94-G98 VanDerWaalsContact O-N 3.07Å; K95-G98 PolarHBondContact O-N 2.84Å; F96-G98 PolarHBondContact O-N 3.19Å
99T81.7Confident69.3Low104 Ų10474.4 Ų74.464%0.63841%0.413SS*.Hα-helixtrans-83.2-17.4176.4-520000112.1K95 F96 L97K95-T99 PolarHBondContact O-N 3.32Å; K95-T99 PolarHBondContact O-OG1 2.88Å; F96-T99 VanDerWaalsContact O-CB 3.31Å; F96-T99 WeakPolarHBondContact O-CB 3.5Å; F96-T99 PolarHBondContact O-N 2.75Å; L97-T99 PolarHBondContact O-N 2.75Å
100L77.7Confident67.1Low19 Ų1975.9 Ų75.910%0.09942%0.424CS..SBendtrans-78.1144-178.8-62.3174.7000111.8K7 V9 F12 F96 L97 C102K7-L100 HydrophobicContact CB-CD2 4.27Å; V9-L100 HydrophobicContact CB-CB 4.42Å; V9-L100 HydrophobicContact CG2-CB 3.46Å; V9-L100 VanDerWaalsContact CG2-CB 3.46Å; V9-L100 HydrophobicContact CG2-CD1 4.35Å; F12-L100 HydrophobicContact CB-CD1 4.02Å; F12-L100 HydrophobicContact CB-CD2 4.43Å; F12-L100 HydrophobicContact CD1-CD1 3.45Å; F12-L100 VanDerWaalsContact CD1-CD1 3.45Å; F12-L100 HydrophobicContact CE1-CD1 4.12Å; F12-L100 HydrophobicContact CG-CD1 3.87Å; F12-L100 HydrophobicContact CG-CD2 4.48Å; F96-L100 HydrophobicContact CE1-CD1 4.22Å; F96-L100 HydrophobicContact CE1-CD2 4.12Å; F96-L100 HydrophobicContact CE1-CG 4.31Å; F96-L100 HydrophobicContact CZ-CD2 4.28Å; L97-L100 HydrophobicContact CD2-CD1 3.76Å; L97-L100 WeakPolarHBondContact O-CB 3.5Å; L97-L100 PolarHBondContact O-N 2.97Å; L97-L100 VanDerWaalsContact O-N 3.14Å; L100-C102 PolarHBondContact O-N 3.15Å
101S75.1Confident64.8Low41 Ų4179.9 Ų79.929%0.28744%0.444SS..BIsolated β-bridgetrans-75112.4179.4-174.70000111.2K7 S8 V9 G103K7-S101 PolarHBondContact O-N 3.44Å; S8-S101 PolarHBondContact OG-O 2.88Å; V9-S101 PolarHBondContact N-O 2.92Å; V9-S101 VanDerWaalsContact N-O 3.13Å; S101-G103 PolarHBondContact O-N 2.87Å
102C67.2Low63.1Low38 Ų3876.7 Ų76.726%0.25744%0.435SS..  trans-81.310.3176.2-156.90000113.4V9 A64 L100V9-C102 HydrophobicContact CG2-CB 4.42Å; A64-C102 WeakPolarHBondContact CB-O 3.29Å; L100-C102 PolarHBondContact O-N 3.15Å
103G59.8Low60.9Low20 Ų2079.2 Ų79.221%0.20646%0.457CS..  trans72.5125.9-168.700000110.4S101S101-G103 PolarHBondContact O-N 2.87Å
104T57.1Low58.6Low96 Ų9683.2 Ų83.259%0.58950%0.498SS*.  trans-74.3134.8174.344.90000109K106T104-K106 PolarHBondContact O-N 3.22Å
105E51.6Low56.1Low73 Ų7384.1 Ų84.134%0.34152%0.522SS..  trans-69.828172.8-69.1-175.1138.200113V61 R65 D107V61-E105 HydrophobicContact CG1-CG 3.88Å; V61-E105 HydrophobicContact CG2-CG 4.05Å; R65-E105 IonicContact CZ-OE1 3.94Å; R65-E105 IonicContact NH1-OE1 3.54Å; R65-E105 PolarHBondContact NH1-OE1 2.85Å; R65-E105 IonicContact NH2-OE1 3.43Å; R65-E105 PolarHBondContact NH2-OE1 2.75Å; R65-E105 IonicContact NH2-OE2 2.7Å; R65-E105 PolarHBondContact NH2-OE2 2.73Å; E105-D107 VanDerWaalsContact C-N 3.29Å; E105-D107 PolarHBondContact O-N 3.2Å
106K45.2Very low53.7Low172 Ų17284.4 Ų84.475%0.74853%0.531SS*.THydrogen-bonded Turntrans-816.4-167.6-86.7-169.6173.7-1760116T104T104-K106 PolarHBondContact O-N 3.22Å
107D41.2Very low51.3Low146 Ų14685 Ų8578%0.78156%0.557SS**THydrogen-bonded Turntrans-123.415.3-177.7-65.5-45.1000115.3E105E105-D107 VanDerWaalsContact C-N 3.29Å; E105-D107 PolarHBondContact O-N 3.2Å
108A43.1Very low49.1Very low42 Ų4296 Ų9635%0.34760%0.598SS.*SBendtrans-150.521.5179.300000115.6K57K57-A108 HydrophobicContact CB-CB 3.61Å; K57-A108 HydrophobicContact CD-CB 4.18Å
109A39.3Very low47.2Very low48 Ų4899.4 Ų99.440%0.39761%0.605SS.*SBendtrans-114.7143.1168.100000109.2Q111A109-Q111 PolarHBondContact O-N 3.29Å
110P35.4Very low45.3Very low98 Ų9898.9 Ų98.964%0.63661%0.611SS**  trans-56125.9160.69.2-1000106.7T112P110-T112 PolarHBondContact O-N 3.29Å
111Q35.7Very low44.3Very low167 Ų167107 Ų10778%0.7865%0.646SS**  trans-62.898.9-178.7-72.7177.9200109.3A109A109-Q111 PolarHBondContact O-N 3.29Å
112T44.1Very low43.8Very low92 Ų92114.7 Ų114.756%0.56467%0.668SS**  trans-131.5120161.145.90000108.9P110P110-T112 PolarHBondContact O-N 3.29Å
113T36.9Very low44.5Very low146 Ų146114.6 Ų114.690%0.89667%0.667SS**  trans80118.7157.367.40000121.7
114G32.1Very low45.7Very low83 Ų83115.2 Ų115.286%0.85667%0.667SS**  118.9102.3125.800000118.5
115G29.7Very low47.1Very low79 Ų79112.5 Ų112.581%0.81465%0.649SS**  trans106.5121.914400000118.1
116D32Very low48.6Very low169 Ų169110.7 Ų110.790%0.90465%0.646SS**  trans77.890.3164.2-73.8-17.6000121.3
117G31.7Very low50.5Low81 Ų81104.8 Ų104.884%0.83563%0.625SS**  97.33.3114.900000120.1
118R36.2Very low52.6Low233 Ų23397.9 Ų97.988%0.87959%0.587SS**SBendtrans-138.294.8-179.6-68.2-176.6-178.2177.60.4112.5A120R118-A120 PolarHBondContact O-N 2.96Å
119V38.6Very low54.6Low141 Ų14197.3 Ų97.386%0.85558%0.579SS**  trans23.282.5159.4-1680000113.6K121V119-K121 PolarHBondContact O-N 3.49Å
120A42.4Very low56.7Low93 Ų93100.2 Ų100.277%0.76958%0.584SS**  trans-62.596.7175.100000109.6R118 R122R118-A120 PolarHBondContact O-N 2.96Å; A120-R122 PolarHBondContact O-N 2.97Å
121K55.7Low58.9Low188 Ų18897.5 Ų97.582%0.81756%0.564SS**  trans-59106.4165.1-70.3-174.6178.7-172.40106.7V119 T123V119-K121 PolarHBondContact O-N 3.49Å; K121-T123 PolarHBondContact O-N 3.34Å
122R65.4Low61Low203 Ų20389.6 Ų89.677%0.76653%0.527SS*.  trans-56.6103175.9-77.4-168.4-178.7176.80.5108.6A120 V127A120-R122 PolarHBondContact O-N 2.97Å; R122-V127 HydrophobicContact CB-CG2 4.05Å
123T82Confident62.6Low37 Ų3792.3 Ų92.323%0.22754%0.535CS..  trans-81.4148.4175.561.40000109.3K121 I125 A126 V127K121-T123 PolarHBondContact O-N 3.34Å; T123-I125 PolarHBondContact O-N 3.18Å; T123-I125 VanDerWaalsContact O-N 3.12Å; T123-A126 WeakPolarHBondContact O-CB 3.36Å; T123-A126 PolarHBondContact O-N 2.85Å; T123-A126 PolarHBondContact OG1-N 2.77Å; T123-V127 PolarHBondContact O-N 3.37Å
124P84.1Confident64.7Low32 Ų3294.5 Ų94.521%0.20853%0.532CS..Hα-helixtrans-53.2-35.5178.4-2834.6000113V127 L128 A189 E190 L193P124-V127 PolarHBondContact O-N 3.46Å; P124-L128 WeakPolarHBondContact O-CB 3.19Å; P124-L128 PolarHBondContact O-N 3.36Å; P124-A189 HydrophobicContact CB-CB 4.24Å; P124-E190 HydrophobicContact CB-CB 3.94Å; P124-E190 HydrophobicContact CG-CB 4.24Å; P124-L193 HydrophobicContact CB-CD1 4.37Å; P124-L193 VanDerWaalsContact O-CD1 3.3Å; P124-L193 WeakPolarHBondContact O-CD1 3.5Å
125I86Confident66.5Low39 Ų3993.9 Ų93.920%0.250%0.504CS..Hα-helixtrans-61.7-45.3175.2-58.6168.7000111.5T123 L128 N129 K185 Q186 A189T123-I125 PolarHBondContact O-N 3.18Å; T123-I125 VanDerWaalsContact O-N 3.12Å; I125-L128 PolarHBondContact O-N 2.96Å; I125-N129 WeakPolarHBondContact O-CB 3.48Å; I125-N129 PolarHBondContact O-N 3.45Å; I125-K185 HydrophobicContact CD1-CB 3.86Å; I125-Q186 HydrophobicContact CD1-CG 3.75Å; I125-Q186 HydrophobicContact CG1-CG 4.15Å; I125-A189 HydrophobicContact CB-CB 4.39Å; I125-A189 HydrophobicContact CG1-CB 3.76Å
126A84.8Confident68.6Low35 Ų3593.4 Ų93.429%0.28950%0.499SS..Hα-helixtrans-66.3-41.6178.800000111.4T123 L128 N129 E130T123-A126 WeakPolarHBondContact O-CB 3.36Å; T123-A126 PolarHBondContact O-N 2.85Å; T123-A126 PolarHBondContact OG1-N 2.77Å; A126-L128 VanDerWaalsContact C-N 3.35Å; A126-L128 PolarHBondContact O-N 2.87Å; A126-N129 PolarHBondContact O-N 2.91Å; A126-E130 WeakPolarHBondContact O-CB 3.41Å; A126-E130 WeakPolarHBondContact O-CG 3.41Å; A126-E130 PolarHBondContact O-N 3.05Å
127V84.9Confident70.5Confident49 Ų4987 Ų8730%0.29746%0.462SS..Hα-helixtrans-63.1-42176.4178.10000111R122 T123 P124 E130 L131 L193R122-V127 HydrophobicContact CB-CG2 4.05Å; T123-V127 PolarHBondContact O-N 3.37Å; P124-V127 PolarHBondContact O-N 3.46Å; V127-E130 PolarHBondContact O-N 2.81Å; V127-L131 WeakPolarHBondContact O-CB 3.41Å; V127-L131 PolarHBondContact O-N 3.32Å; V127-L193 HydrophobicContact CB-CD1 3.92Å; V127-L193 HydrophobicContact CG1-CD1 3.84Å; V127-L193 HydrophobicContact CG1-CD2 4.19Å
128L84.7Confident72.5Confident0 Ų086.7 Ų86.70%045%0.448CS..Hα-helixtrans-63.4-46176-177.363.3000111.7P124 I125 A126 L131 C132 P140 A189 L192 L193 L196P124-L128 WeakPolarHBondContact O-CB 3.19Å; P124-L128 PolarHBondContact O-N 3.36Å; I125-L128 PolarHBondContact O-N 2.96Å; A126-L128 VanDerWaalsContact C-N 3.35Å; A126-L128 PolarHBondContact O-N 2.87Å; L128-L131 PolarHBondContact O-N 3.12Å; L128-C132 PolarHBondContact O-N 2.99Å; L128-C132 PolarHBondContact O-SG 3.41Å; L128-P140 HydrophobicContact CD2-CB 3.99Å; L128-P140 HydrophobicContact CD2-CG 3.74Å; L128-P140 HydrophobicContact CG-CG 4.02Å; L128-A189 HydrophobicContact CD2-CB 3.95Å; L128-L192 HydrophobicContact CD1-CD2 4.37Å; L128-L192 HydrophobicContact CD1-CG 4.28Å; L128-L192 HydrophobicContact CD2-CB 4.33Å; L128-L192 HydrophobicContact CD2-CD2 3.76Å; L128-L192 HydrophobicContact CD2-CG 4.29Å; L128-L193 HydrophobicContact CB-CD1 4.12Å; L128-L193 HydrophobicContact CB-CD2 4Å; L128-L193 HydrophobicContact CB-CG 3.86Å; L128-L193 HydrophobicContact CD1-CD2 3.76Å; L128-L193 HydrophobicContact CD1-CG 3.91Å; L128-L193 HydrophobicContact CG-CD2 4.48Å; L128-L193 HydrophobicContact CG-CG 4.41Å; L128-L196 HydrophobicContact CD1-CD1 3.56Å
129N84.8Confident74.6Confident31 Ų3180.4 Ų80.417%0.16644%0.437CS..Hα-helixtrans-62.5-43.6177.2-75.2-13.5000112I125 A126 L131 C132 M133 P140I125-N129 WeakPolarHBondContact O-CB 3.48Å; I125-N129 PolarHBondContact O-N 3.45Å; A126-N129 PolarHBondContact O-N 2.91Å; N129-L131 VanDerWaalsContact C-N 3.3Å; N129-L131 PolarHBondContact O-N 2.9Å; N129-C132 PolarHBondContact O-N 2.95Å; N129-M133 WeakPolarHBondContact O-CB 3.4Å; N129-M133 VanDerWaalsContact O-CG 3.31Å; N129-M133 WeakPolarHBondContact O-CG 3.49Å; N129-M133 PolarHBondContact O-N 3.28Å; N129-P140 VanDerWaalsContact OD1-CD 3.26Å; N129-P140 WeakPolarHBondContact OD1-CD 3.39Å; N129-P140 VanDerWaalsContact OD1-CG 3.32Å; N129-P140 WeakPolarHBondContact OD1-CG 3.47Å
130E83.4Confident76.5Confident109 Ų10974.3 Ų74.351%0.50940%0.4SS..Hα-helixtrans-59.3-41.7174.9-76.6174.8-165.900111.6A126 V127 M133 K134A126-E130 WeakPolarHBondContact O-CB 3.41Å; A126-E130 WeakPolarHBondContact O-CG 3.41Å; A126-E130 PolarHBondContact O-N 3.05Å; V127-E130 PolarHBondContact O-N 2.81Å; E130-M133 PolarHBondContact O-N 3Å; E130-K134 VanDerWaalsContact O-CB 3.27Å; E130-K134 WeakPolarHBondContact O-CB 3.33Å; E130-K134 PolarHBondContact O-N 2.92Å
131L81Confident78.4Confident41 Ų4174.4 Ų74.422%0.21539%0.385CS..Hα-helixtrans-63.7-44.9176-175154.3000111.5V127 L128 N129 K134 R135 L193 L196V127-L131 WeakPolarHBondContact O-CB 3.41Å; V127-L131 PolarHBondContact O-N 3.32Å; L128-L131 PolarHBondContact O-N 3.12Å; N129-L131 VanDerWaalsContact C-N 3.3Å; N129-L131 PolarHBondContact O-N 2.9Å; L131-K134 PolarHBondContact O-N 3.32Å; L131-R135 HydrophobicContact CD2-CG 4.43Å; L131-R135 WeakPolarHBondContact O-CB 3.36Å; L131-R135 WeakPolarHBondContact O-CG 3.49Å; L131-R135 PolarHBondContact O-N 3.19Å; L131-L193 HydrophobicContact CD1-CD2 3.95Å; L131-L196 HydrophobicContact CD2-CD1 4.13Å
132C81.3Confident79.7Confident1 Ų167.5 Ų67.51%0.00735%0.354CS..Hα-helixtrans-62-46.5177.6-61.50000111.3L128 N129 K134 R135 G136 Y137 L169L128-C132 PolarHBondContact O-N 2.99Å; L128-C132 PolarHBondContact O-SG 3.41Å; N129-C132 PolarHBondContact O-N 2.95Å; C132-K134 PolarHBondContact O-N 2.64Å; C132-R135 PolarHBondContact O-N 3.18Å; C132-G136 PolarHBondContact O-N 2.86Å; C132-Y137 PolarHBondContact O-N 2.99Å; C132-L169 HydrophobicContact CB-CD1 4.43Å; C132-L169 WeakPolarHBondContact SG-CD1 3.44Å; C132-L169 VanDerWaalsContact SG-CD2 3.56Å
133M78.1Confident80Confident149 Ų14961 Ų6173%0.73433%0.332SS*.Hα-helixtrans-62-41.4177-70.9-179.273.100112.2N129 E130 R135 G136N129-M133 WeakPolarHBondContact O-CB 3.4Å; N129-M133 VanDerWaalsContact O-CG 3.31Å; N129-M133 WeakPolarHBondContact O-CG 3.49Å; N129-M133 PolarHBondContact O-N 3.28Å; E130-M133 PolarHBondContact O-N 3Å; M133-R135 VanDerWaalsContact C-N 3.33Å; M133-R135 PolarHBondContact O-N 2.82Å; M133-G136 PolarHBondContact O-N 3.2Å
134K79.1Confident79.4Confident192 Ų19263 Ų6384%0.83534%0.341SS*.Hα-helixtrans-67.8-33.2179.2-171.4179178.1-172.60112.3E130 L131 C132E130-K134 VanDerWaalsContact O-CB 3.27Å; E130-K134 WeakPolarHBondContact O-CB 3.33Å; E130-K134 PolarHBondContact O-N 2.92Å; L131-K134 PolarHBondContact O-N 3.32Å; C132-K134 PolarHBondContact O-N 2.64Å
135R71.7Confident78.2Confident69 Ų6964.4 Ų64.426%0.2635%0.35SS..Hα-helixtrans-90-4.4178.9-68.7-171.6170.2166.3-5.7114.1L131 C132 M133 Y137 D201L131-R135 HydrophobicContact CD2-CG 4.43Å; L131-R135 WeakPolarHBondContact O-CB 3.36Å; L131-R135 WeakPolarHBondContact O-CG 3.49Å; L131-R135 PolarHBondContact O-N 3.19Å; C132-R135 PolarHBondContact O-N 3.18Å; M133-R135 VanDerWaalsContact C-N 3.33Å; M133-R135 PolarHBondContact O-N 2.82Å; R135-Y137 VanDerWaalsContact C-N 3.31Å; R135-Y137 HydrophobicContact CB-CD2 3.68Å; R135-Y137 HydrophobicContact CB-CE1 4.41Å; R135-Y137 HydrophobicContact CB-CE2 3.49Å; R135-Y137 VanDerWaalsContact CB-CE2 3.49Å; R135-Y137 HydrophobicContact CB-CG 4.22Å; R135-Y137 VanDerWaalsContact CD-CE2 3.45Å; R135-Y137 HydrophobicContact CG-CE2 4.1Å; R135-D201 IonicContact CZ-OD1 2.96Å; R135-D201 IonicContact NE-OD1 2.69Å; R135-D201 PolarHBondContact NE-OD1 2.76Å; R135-D201 IonicContact NH2-OD1 3.75Å; R135-D201 PolarHBondContact NH2-OD1 2.84Å; R135-D201 IonicContact NH2-OD2 3.97Å
136G71.8Confident76.8Confident69 Ų6968 Ų6871%0.71136%0.364SS*.THydrogen-bonded Turntrans75.315.8-17800000114.5C132 M133C132-G136 PolarHBondContact O-N 2.86Å; M133-G136 PolarHBondContact O-N 3.2Å
137Y72.4Confident75.5Confident34 Ų3470.2 Ų70.213%0.13337%0.368CS..PPolyproline II helixtrans-79.7154.5175.9-56.3-37000111.5C132 R135 L169 L204 F208C132-Y137 PolarHBondContact O-N 2.99Å; R135-Y137 VanDerWaalsContact C-N 3.31Å; R135-Y137 HydrophobicContact CB-CD2 3.68Å; R135-Y137 HydrophobicContact CB-CE1 4.41Å; R135-Y137 HydrophobicContact CB-CE2 3.49Å; R135-Y137 VanDerWaalsContact CB-CE2 3.49Å; R135-Y137 HydrophobicContact CB-CG 4.22Å; R135-Y137 VanDerWaalsContact CD-CE2 3.45Å; R135-Y137 HydrophobicContact CG-CE2 4.1Å; Y137-L169 HydrophobicContact CD2-CD2 4.41Å; Y137-L204 WeakPolarHBondContact OH-CB 3.43Å; Y137-F208 HydrophobicContact CD1-CB 4.07Å; Y137-F208 HydrophobicContact CD1-CD1 4.11Å; Y137-F208 AromaticContact CD1-CD2 3.84Å; Y137-F208 HydrophobicContact CD1-CD2 3.84Å; Y137-F208 HydrophobicContact CD1-CE1 4.47Å; Y137-F208 HydrophobicContact CD1-CE2 4.3Å; Y137-F208 AromaticContact CD1-CG 3.77Å; Y137-F208 HydrophobicContact CD1-CG 3.77Å; Y137-F208 HydrophobicContact CD2-CE2 4.26Å; Y137-F208 HydrophobicContact CD2-CZ 4.46Å; Y137-F208 HydrophobicContact CE1-CB 3.84Å; Y137-F208 HydrophobicContact CE1-CD1 4.47Å; Y137-F208 AromaticContact CE1-CD2 3.42Å; Y137-F208 HydrophobicContact CE1-CD2 3.42Å; Y137-F208 VanDerWaalsContact CE1-CD2 3.42Å; Y137-F208 HydrophobicContact CE1-CE2 4.07Å; Y137-F208 AromaticContact CE1-CG 3.69Å; Y137-F208 HydrophobicContact CE1-CG 3.69Å; Y137-F208 HydrophobicContact CE2-CD2 4.16Å; Y137-F208 AromaticContact CE2-CE2 4Å; Y137-F208 HydrophobicContact CE2-CE2 4Å; Y137-F208 HydrophobicContact CG-CD2 4.4Å; Y137-F208 HydrophobicContact CG-CE2 4.42Å; Y137-F208 HydrophobicContact CG-CZ 4.47Å; Y137-F208 AromaticContact CZ-CD2 3.63Å; Y137-F208 AromaticContact CZ-CE2 3.94Å
138S74.7Confident73.6Confident75 Ų7570.3 Ų70.352%0.52437%0.367SS..PPolyproline II helixtrans-60.1148.8168.257.70000110.3L169S138-L169 WeakPolarHBondContact O-CD1 3.3Å
139P79Confident72Confident102 Ų10274.1 Ų74.166%0.66239%0.387SS*.PPolyproline II helixtrans-62.4143.5177.825.1-33.3000110.8H141P139-H141 PolarHBondContact O-N 2.92Å
140P79.2Confident70.1Confident12 Ų1275.8 Ų75.88%0.07839%0.394CS..PPolyproline II helixtrans-63133.3-178.526.6-35.3000111.2L128 N129 Y142 V168 L169 L192L128-P140 HydrophobicContact CD2-CB 3.99Å; L128-P140 HydrophobicContact CD2-CG 3.74Å; L128-P140 HydrophobicContact CG-CG 4.02Å; N129-P140 VanDerWaalsContact OD1-CD 3.26Å; N129-P140 WeakPolarHBondContact OD1-CD 3.39Å; N129-P140 VanDerWaalsContact OD1-CG 3.32Å; N129-P140 WeakPolarHBondContact OD1-CG 3.47Å; P140-Y142 HydrophobicContact CB-CE2 4.22Å; P140-Y142 HydrophobicContact CG-CE2 3.95Å; P140-Y142 WeakPolarHBondContact O-CD2 3.43Å; P140-V168 CarbonylContact C-O 3.54Å; P140-V168 WeakPolarHBondContact CA-O 3.48Å; P140-L169 HydrophobicContact CB-CB 4.38Å; P140-L169 HydrophobicContact CB-CD1 4.24Å; P140-L192 HydrophobicContact CB-CD2 4.49Å
141H81.5Confident68.1Low96 Ų9681.2 Ų81.244%0.44441%0.41SS..EExtended strand (participates in β ladder)trans-83.4139.4173.8-17265.7000110.4P139 E143 A167 V168P139-H141 PolarHBondContact O-N 2.92Å; H141-E143 VanDerWaalsContact CD2-CG 3.43Å; H141-E143 WeakPolarHBondContact CD2-CG 3.18Å; H141-E143 IonicContact CD2-OE1 3.58Å; H141-E143 WeakPolarHBondContact NE2-CG 3.43Å; H141-E143 IonicContact NE2-OE1 2.72Å; H141-A167 CarbonylContact O-C 3.48Å; H141-A167 WeakPolarHBondContact O-CA 3.18Å; H141-V168 HydrophobicContact CB-CB 4.41Å; H141-V168 PolarHBondContact N-O 3.07Å; H141-V168 PolarHBondContact O-N 2.95Å
142Y83.4Confident66.4Low43 Ų4383.6 Ų83.617%0.16942%0.423CS..EExtended strand (participates in β ladder)trans-119.2115.8177.8-65.6-92.9000110.4P140 V165 K166 A167 K185 A189P140-Y142 HydrophobicContact CB-CE2 4.22Å; P140-Y142 HydrophobicContact CG-CE2 3.95Å; P140-Y142 WeakPolarHBondContact O-CD2 3.43Å; Y142-V165 HydrophobicContact CD1-CG1 4.01Å; Y142-K166 CarbonylContact C-O 3.42Å; Y142-K166 VanDerWaalsContact CA-O 3.24Å; Y142-K166 WeakPolarHBondContact CA-O 3.41Å; Y142-A167 HydrophobicContact CD1-CB 3.8Å; Y142-A167 HydrophobicContact CE1-CB 3.59Å; Y142-K185 HydrophobicContact CD1-CG 4.21Å; Y142-A189 HydrophobicContact CE1-CB 4.28Å; Y142-A189 WeakPolarHBondContact OH-CB 3.46Å
143E73Confident64.7Low65 Ų6591.5 Ų91.530%0.30447%0.465SS..EExtended strand (participates in β ladder)trans-100.9126.6175.5-57.8179.1165.600109.4H141 V145 V165 K166H141-E143 VanDerWaalsContact CD2-CG 3.43Å; H141-E143 WeakPolarHBondContact CD2-CG 3.18Å; H141-E143 IonicContact CD2-OE1 3.58Å; H141-E143 WeakPolarHBondContact NE2-CG 3.43Å; H141-E143 IonicContact NE2-OE1 2.72Å; E143-V145 PolarHBondContact O-N 3.42Å; E143-V165 CarbonylContact O-C 3.45Å; E143-V165 WeakPolarHBondContact O-CA 3.31Å; E143-K166 HydrophobicContact CB-CB 4.29Å; E143-K166 PolarHBondContact N-O 3.43Å; E143-K166 PolarHBondContact O-N 3.42Å; E143-K166 IonicContact OE2-NZ 2.77Å
144D67.9Low63.3Low79 Ų7989.4 Ų89.442%0.42246%0.457SS..EExtended strand (participates in β ladder)trans-76111.9170.3-74.8-2.5000107.5K181 K185D144-K181 IonicContact OD2-NZ 3.75Å; D144-K181 PolarHBondContact OD2-NZ 3.45Å; D144-K185 IonicContact OD1-NZ 3.42Å
145V59.6Low62Low63 Ų6386.7 Ų86.738%0.38246%0.459SS..EExtended strand (participates in β ladder)trans-85.2-49.5-173.2-179.10000110.9E143 F164 K166E143-V145 PolarHBondContact O-N 3.42Å; V145-F164 HydrophobicContact CB-CB 4.07Å; V145-F164 PolarHBondContact N-O 2.72Å; V145-K166 HydrophobicContact CG2-CB 3.64Å
146F57.4Low61Low114 Ų11488.5 Ų88.550%0.548%0.482SS..EExtended strand (participates in β ladder)trans-163157.1-171.7-165.2-114.2000113.8N148 F164F146-N148 HydrophobicContact CD1-CB 3.82Å; F146-N148 HydrophobicContact CE1-CB 3.61Å; F146-F164 HydrophobicContact CB-CB 4.28Å; F146-F164 HydrophobicContact CB-CD2 4.14Å; F146-F164 HydrophobicContact CB-CG 4.44Å; F146-F164 HydrophobicContact CD1-CD2 4.32Å; F146-F164 HydrophobicContact CD1-CE2 4.45Å; F146-F164 PolarHBondContact O-N 3.44Å
147Q55.6Low59.9Low82 Ų8287.5 Ų87.538%0.38347%0.467SS..EExtended strand (participates in β ladder)trans-118.7109.5163.7-178.5-173.4-30.400108.4A162 F163Q147-A162 CarbonylContact C-O 3.55Å; Q147-A162 WeakPolarHBondContact CA-O 3.38Å; Q147-F163 HydrophobicContact CB-CD1 4.34Å; Q147-F163 HydrophobicContact CB-CE1 4.34Å; Q147-F163 HydrophobicContact CG-CD1 4.23Å; Q147-F163 HydrophobicContact CG-CE1 3.92Å; Q147-F163 HydrophobicContact CG-CZ 4.34Å
148N46.9Very low58.7Low50 Ų5093 Ų9327%0.26750%0.499SS..EExtended strand (participates in β ladder)trans-92.7132.3172.9-159.8-16.2000109.8F146 R161 A162 F164F146-N148 HydrophobicContact CD1-CB 3.82Å; F146-N148 HydrophobicContact CE1-CB 3.61Å; N148-R161 WeakPolarHBondContact O-CA 3.25Å; N148-A162 PolarHBondContact N-O 3.41Å; N148-A162 PolarHBondContact O-N 2.92Å; N148-F164 HydrophobicContact CB-CE2 3.8Å
149I50.2Low57.6Low80 Ų8093.9 Ų93.941%0.4150%0.498SS..EExtended strand (participates in β ladder)trans-93.4107.3165-57.2173.2000105R151I149-R151 PolarHBondContact O-N 2.81Å
150M45.9Very low56.4Low66 Ų6695.5 Ų95.533%0.32550%0.496SS..  trans-64.494.7166.9-73.1-76.5-171.700106.7N152 Q160M150-N152 VanDerWaalsContact C-N 3.25Å; M150-N152 PolarHBondContact O-N 2.86Å; M150-Q160 PolarHBondContact N-O 3.14Å
151R40.3Very low55.4Low223 Ų223100.5 Ų100.584%0.84251%0.514SS*.  trans-7292.6162.6-84.3-172.7171.9177.2-1.9106I149I149-R151 PolarHBondContact O-N 2.81Å
152N44.6Very low54.5Low91 Ų9196.9 Ų96.949%0.48750%0.5SS..  trans-78.4134.6154.6-65.4-13.4000105.5M150 D154M150-N152 VanDerWaalsContact C-N 3.25Å; M150-N152 PolarHBondContact O-N 2.86Å; N152-D154 PolarHBondContact O-N 3.16Å
153D45.5Very low53.5Low167 Ų16796.3 Ų96.389%0.89350%0.499SS*.SBendtrans-66.916176-68.8-47.5000113.1P155D153-P155 WeakPolarHBondContact O-CD 3.35Å
154D49.4Very low53.2Low106 Ų10694.1 Ų94.157%0.56749%0.488SS*.  trans-108.6106.4-174.2-145.6-14.9000110.1N152 S156 A157N152-D154 PolarHBondContact O-N 3.16Å; D154-S156 PolarHBondContact O-N 2.63Å; D154-A157 PolarHBondContact O-N 2.59Å
155P52.9Low53.2Low135 Ų13590.4 Ų90.488%0.87747%0.469SS*.THydrogen-bonded Turntrans-65-5.7-174.424.6-32.7000114.1D153D153-P155 WeakPolarHBondContact O-CD 3.35Å
156S50.2Low53.9Low107 Ų10788.8 Ų88.875%0.74846%0.456SS*.THydrogen-bonded Turntrans-97.2-8.7179-168.60000114.5D154 N158D154-S156 PolarHBondContact O-N 2.63Å; S156-N158 PolarHBondContact O-N 3.2Å
157A49.3Very low54.8Low47 Ų4783.4 Ų83.439%0.38843%0.433SS..SBendtrans-9299.5176.200000109.8D154 N159D154-A157 PolarHBondContact O-N 2.59Å; A157-N159 PolarHBondContact O-N 3.16Å
158N46.1Very low55.8Low149 Ų14981 Ų8180%0.79742%0.423SS*.  trans-49.292.3179.6179.229.4000113S156 Q160S156-N158 PolarHBondContact O-N 3.2Å; N158-Q160 VanDerWaalsContact C-N 3.31Å; N158-Q160 PolarHBondContact O-N 2.79Å
159N52Low57Low95 Ų9578.6 Ų78.651%0.50841%0.411SS..  trans29.655156.8-129.81.2000115.5A157 R161A157-N159 PolarHBondContact O-N 3.16Å; N159-R161 PolarHBondContact O-N 2.73Å; N159-R161 VanDerWaalsContact O-N 3.12Å
160Q53.1Low57.7Low135 Ų13577 Ų7763%0.63141%0.414SS*.  trans-69.9111-178-76.3-176.4-5.300109.8M150 N158M150-Q160 PolarHBondContact N-O 3.14Å; N158-Q160 VanDerWaalsContact C-N 3.31Å; N158-Q160 PolarHBondContact O-N 2.79Å
161R58.5Low58.6Low118 Ų11877.4 Ų77.445%0.44542%0.422SS..EExtended strand (participates in β ladder)trans-95.4131.9176.7-65167.2-176.8-162.73.8108.5N148 N159 F163 P179N148-R161 WeakPolarHBondContact O-CA 3.25Å; N159-R161 PolarHBondContact O-N 2.73Å; N159-R161 VanDerWaalsContact O-N 3.12Å; R161-F163 HydrophobicContact CB-CE2 4.18Å; R161-P179 WeakPolarHBondContact O-CA 3.01Å
162A61.8Low59.8Low20 Ų2067.6 Ų67.617%0.16539%0.385CS..EExtended strand (participates in β ladder)trans-104.3132.9169.300000109.2Q147 N148 F164Q147-A162 CarbonylContact C-O 3.55Å; Q147-A162 WeakPolarHBondContact CA-O 3.38Å; N148-A162 PolarHBondContact N-O 3.41Å; N148-A162 PolarHBondContact O-N 2.92Å; A162-F164 HydrophobicContact CB-CE2 3.9Å; A162-F164 HydrophobicContact CB-CZ 4.39Å
163F63.7Low60.8Low31 Ų3164 Ų6414%0.13637%0.367CS..EExtended strand (participates in β ladder)trans-105.9139.5173.1-65.5-89000109.1Q147 R161 T177 G178 P179 T180 K181 A184Q147-F163 HydrophobicContact CB-CD1 4.34Å; Q147-F163 HydrophobicContact CB-CE1 4.34Å; Q147-F163 HydrophobicContact CG-CD1 4.23Å; Q147-F163 HydrophobicContact CG-CE1 3.92Å; Q147-F163 HydrophobicContact CG-CZ 4.34Å; R161-F163 HydrophobicContact CB-CE2 4.18Å; F163-T177 CarbonylContact O-C 3.52Å; F163-T177 VanDerWaalsContact O-CA 3.31Å; F163-T177 WeakPolarHBondContact O-CA 3.33Å; F163-G178 PolarHBondContact N-O 2.7Å; F163-G178 PolarHBondContact O-N 3.22Å; F163-P179 WeakPolarHBondContact CD2-O 3.47Å; F163-P179 WeakPolarHBondContact CE2-O 3.47Å; F163-T180 VanDerWaalsContact CD2-C 3.45Å; F163-K181 HydrophobicContact CB-CG 4.2Å; F163-K181 HydrophobicContact CD1-CB 4.42Å; F163-K181 HydrophobicContact CD1-CD 4.21Å; F163-K181 HydrophobicContact CD1-CG 3.26Å; F163-K181 HydrophobicContact CE1-CD 4.35Å; F163-K181 HydrophobicContact CE1-CG 3.65Å; F163-K181 HydrophobicContact CG-CB 4.49Å; F163-K181 HydrophobicContact CG-CG 3.74Å; F163-K181 HydrophobicContact CZ-CG 4.41Å; F163-A184 HydrophobicContact CB-CB 4.01Å; F163-A184 WeakPolarHBondContact O-CB 3.49Å
164F65.8Low62.2Low19 Ų1959.5 Ų59.58%0.08334%0.338CS..EExtended strand (participates in β ladder)trans-117.4128.2179.1-63.7-103.8000108.6V145 F146 N148 A162 G176 T177V145-F164 HydrophobicContact CB-CB 4.07Å; V145-F164 PolarHBondContact N-O 2.72Å; F146-F164 HydrophobicContact CB-CB 4.28Å; F146-F164 HydrophobicContact CB-CD2 4.14Å; F146-F164 HydrophobicContact CB-CG 4.44Å; F146-F164 HydrophobicContact CD1-CD2 4.32Å; F146-F164 HydrophobicContact CD1-CE2 4.45Å; F146-F164 PolarHBondContact O-N 3.44Å; N148-F164 HydrophobicContact CB-CE2 3.8Å; A162-F164 HydrophobicContact CB-CE2 3.9Å; A162-F164 HydrophobicContact CB-CZ 4.39Å; F164-G176 WeakPolarHBondContact CA-O 3.44Å; F164-T177 HydrophobicContact CD1-CG2 3.46Å; F164-T177 VanDerWaalsContact CD1-CG2 3.46Å; F164-T177 HydrophobicContact CE1-CG2 3.48Å; F164-T177 VanDerWaalsContact CE1-CG2 3.48Å; F164-T177 HydrophobicContact CG-CG2 4.32Å; F164-T177 HydrophobicContact CZ-CG2 4.34Å
165V69.1Low63Low1 Ų155.6 Ų55.61%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-134.8126.4-178.6176.60000109.2Y142 E143 I175 G176 A184 K185 A188Y142-V165 HydrophobicContact CD1-CG1 4.01Å; E143-V165 CarbonylContact O-C 3.45Å; E143-V165 WeakPolarHBondContact O-CA 3.31Å; V165-I175 CarbonylContact O-C 3.54Å; V165-I175 WeakPolarHBondContact O-CA 3.43Å; V165-G176 PolarHBondContact N-O 2.94Å; V165-G176 PolarHBondContact O-N 2.84Å; V165-A184 HydrophobicContact CB-CB 4.09Å; V165-A184 HydrophobicContact CG2-CB 3.66Å; V165-K185 HydrophobicContact CB-CG 4.1Å; V165-K185 HydrophobicContact CG1-CB 4.43Å; V165-K185 HydrophobicContact CG1-CD 4.48Å; V165-K185 HydrophobicContact CG1-CG 3.48Å; V165-K185 VanDerWaalsContact CG1-CG 3.48Å; V165-K185 HydrophobicContact CG2-CG 3.98Å; V165-A188 VanDerWaalsContact O-CB 3.25Å; V165-A188 WeakPolarHBondContact O-CB 3.24Å
166K74.5Confident63.7Low29 Ų2949.3 Ų49.313%0.12628%0.277CS..EExtended strand (participates in β ladder)trans-92.7123.1174.9-174.9-176.5178.6-172.90109.1Y142 E143 V145 V168 A173 R174 I175Y142-K166 CarbonylContact C-O 3.42Å; Y142-K166 VanDerWaalsContact CA-O 3.24Å; Y142-K166 WeakPolarHBondContact CA-O 3.41Å; E143-K166 HydrophobicContact CB-CB 4.29Å; E143-K166 PolarHBondContact N-O 3.43Å; E143-K166 PolarHBondContact O-N 3.42Å; E143-K166 IonicContact OE2-NZ 2.77Å; V145-K166 HydrophobicContact CG2-CB 3.64Å; K166-V168 HydrophobicContact CD-CG2 3.93Å; K166-V168 HydrophobicContact CG-CG2 3.8Å; K166-A173 HydrophobicContact CG-CB 4.49Å; K166-R174 CarbonylContact C-O 3.5Å; K166-R174 WeakPolarHBondContact CA-O 3.13Å; K166-I175 HydrophobicContact CB-CG1 3.92Å; K166-I175 HydrophobicContact CG-CG1 3.95Å
167A76.2Confident64.7Low0 Ų047.6 Ų47.60%026%0.262CS..EExtended strand (participates in β ladder)trans-96.5126.8167.400000108.7H141 Y142 A173 R174 A188 L192H141-A167 CarbonylContact O-C 3.48Å; H141-A167 WeakPolarHBondContact O-CA 3.18Å; Y142-A167 HydrophobicContact CD1-CB 3.8Å; Y142-A167 HydrophobicContact CE1-CB 3.59Å; A167-A173 CarbonylContact O-C 3.44Å; A167-A173 VanDerWaalsContact O-CA 3.28Å; A167-A173 WeakPolarHBondContact O-CA 3.31Å; A167-R174 PolarHBondContact N-O 3.01Å; A167-R174 PolarHBondContact O-N 3.39Å; A167-A188 HydrophobicContact CB-CB 3.79Å; A167-L192 HydrophobicContact CB-CD2 3.86Å
168V74.9Confident65.7Low31 Ų3146 Ų4619%0.18825%0.249CC..EExtended strand (participates in β ladder)trans-122.8128.4-177.9-173.80000108.9P140 H141 K166 F172 A173P140-V168 CarbonylContact C-O 3.54Å; P140-V168 WeakPolarHBondContact CA-O 3.48Å; H141-V168 HydrophobicContact CB-CB 4.41Å; H141-V168 PolarHBondContact N-O 3.07Å; H141-V168 PolarHBondContact O-N 2.95Å; K166-V168 HydrophobicContact CD-CG2 3.93Å; K166-V168 HydrophobicContact CG-CG2 3.8Å; V168-F172 CarbonylContact C-O 3.55Å; V168-F172 WeakPolarHBondContact CA-O 3.37Å; V168-A173 HydrophobicContact CG2-CB 4.12Å
169L72.1Confident66.8Low1 Ų143.5 Ų43.51%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-134.395.1174.5-177.371.9000108.1C132 Y137 S138 P140 P171 F172 L192 L196 F208C132-L169 HydrophobicContact CB-CD1 4.43Å; C132-L169 WeakPolarHBondContact SG-CD1 3.44Å; C132-L169 VanDerWaalsContact SG-CD2 3.56Å; Y137-L169 HydrophobicContact CD2-CD2 4.41Å; S138-L169 WeakPolarHBondContact O-CD1 3.3Å; P140-L169 HydrophobicContact CB-CB 4.38Å; P140-L169 HydrophobicContact CB-CD1 4.24Å; L169-P171 WeakPolarHBondContact O-CD 3.41Å; L169-F172 PolarHBondContact N-O 3Å; L169-F172 PolarHBondContact O-N 3.12Å; L169-L192 HydrophobicContact CB-CD2 3.84Å; L169-L196 HydrophobicContact CD2-CD1 3.56Å; L169-L196 HydrophobicContact CD2-CD2 4.19Å; L169-L196 HydrophobicContact CD2-CG 4.48Å; L169-F208 HydrophobicContact CD2-CZ 4.34Å; L169-F208 HydrophobicContact CG-CE1 4.28Å; L169-F208 HydrophobicContact CG-CZ 3.95Å; L169-F208 WeakPolarHBondContact O-CZ 3.39Å
170G66.6Low68.1Low46 Ų4642.3 Ų42.347%0.47424%0.238SC..THydrogen-bonded Turntrans50-117.9-169.500000111.7F172G170-F172 VanDerWaalsContact C-N 3.28Å; G170-F172 PolarHBondContact O-N 2.94Å
171P63.9Low69.3Low75 Ų7540.7 Ų40.749%0.48723%0.229SC..THydrogen-bonded Turntrans-74.6-16.4-179.135.8-40.8000113.1L169 I207 F208L169-P171 WeakPolarHBondContact O-CD 3.41Å; P171-I207 HydrophobicContact CB-CG2 3.86Å; P171-I207 HydrophobicContact CG-CB 4.28Å; P171-I207 HydrophobicContact CG-CG2 3.48Å; P171-I207 VanDerWaalsContact CG-CG2 3.48Å; P171-F208 HydrophobicContact CG-CZ 4.35Å
172F66.7Low70.5Confident17 Ų1741.4 Ų41.48%0.07524%0.235CC..EExtended strand (participates in β ladder)trans-92.1120.6-177.1-59.7-76.9000110.5V168 L169 G170 L192 L196 F199 L204 I207 F208V168-F172 CarbonylContact C-O 3.55Å; V168-F172 WeakPolarHBondContact CA-O 3.37Å; L169-F172 PolarHBondContact N-O 3Å; L169-F172 PolarHBondContact O-N 3.12Å; G170-F172 VanDerWaalsContact C-N 3.28Å; G170-F172 PolarHBondContact O-N 2.94Å; F172-L192 HydrophobicContact CB-CD1 3.64Å; F172-L196 HydrophobicContact CD2-CD2 3.98Å; F172-L196 HydrophobicContact CE2-CD2 4.36Å; F172-L196 HydrophobicContact CG-CD2 4.28Å; F172-F199 AromaticContact CD1-CE2 3.98Å; F172-F199 HydrophobicContact CD1-CE2 3.98Å; F172-F199 HydrophobicContact CD1-CZ 4.46Å; F172-F199 AromaticContact CE1-CD2 3.77Å; F172-F199 HydrophobicContact CE1-CD2 3.77Å; F172-F199 HydrophobicContact CE1-CE1 4.19Å; F172-F199 AromaticContact CE1-CE2 3.34Å; F172-F199 HydrophobicContact CE1-CE2 3.34Å; F172-F199 HydrophobicContact CE1-CG 4.4Å; F172-F199 AromaticContact CE1-CZ 3.59Å; F172-F199 HydrophobicContact CE1-CZ 3.59Å; F172-F199 HydrophobicContact CZ-CD2 4.1Å; F172-F199 HydrophobicContact CZ-CE2 4.11Å; F172-F199 HydrophobicContact CZ-CG 4.39Å; F172-F199 HydrophobicContact CZ-CZ 4.35Å; F172-L204 HydrophobicContact CD2-CD2 4.12Å; F172-L204 HydrophobicContact CE1-CD2 4.44Å; F172-L204 HydrophobicContact CE2-CD2 3.2Å; F172-L204 HydrophobicContact CZ-CD2 3.4Å; F172-I207 HydrophobicContact CE2-CD1 4.34Å; F172-I207 HydrophobicContact CZ-CD1 3.81Å; F172-F208 AromaticContact CD2-CE2 3.92Å; F172-F208 HydrophobicContact CD2-CE2 3.92Å; F172-F208 AromaticContact CD2-CZ 3.85Å; F172-F208 HydrophobicContact CD2-CZ 3.85Å; F172-F208 AromaticContact CE2-CE2 3.76Å; F172-F208 HydrophobicContact CE2-CE2 3.76Å; F172-F208 HydrophobicContact CE2-CZ 4.16Å
173A64.7Low71.5Confident14 Ų1441.9 Ų41.912%0.11624%0.239CC..EExtended strand (participates in β ladder)trans-124.3139.8170.800000111.2K166 A167 V168K166-A173 HydrophobicContact CG-CB 4.49Å; A167-A173 CarbonylContact O-C 3.44Å; A167-A173 VanDerWaalsContact O-CA 3.28Å; A167-A173 WeakPolarHBondContact O-CA 3.31Å; V168-A173 HydrophobicContact CG2-CB 4.12Å
174R74.2Confident72.2Confident74 Ų7440.4 Ų40.428%0.27923%0.232SC..EExtended strand (participates in β ladder)trans-139.3141.1172.5-67.6-65-177.4-94.54110.6K166 A167 A191 L192 A195K166-R174 CarbonylContact C-O 3.5Å; K166-R174 WeakPolarHBondContact CA-O 3.13Å; A167-R174 PolarHBondContact N-O 3.01Å; A167-R174 PolarHBondContact O-N 3.39Å; R174-A191 HydrophobicContact CB-CB 3.88Å; R174-A191 HydrophobicContact CG-CB 4.19Å; R174-L192 HydrophobicContact CB-CB 4.13Å; R174-L192 HydrophobicContact CG-CB 4.16Å; R174-L192 HydrophobicContact CG-CD1 4.06Å; R174-A195 HydrophobicContact CG-CB 4.45Å
175I67.2Low73.2Confident24 Ų2442.8 Ų42.812%0.12324%0.242CC..EExtended strand (participates in β ladder)trans-102.4135.8177.1-58.1177.4000108.7V165 K166V165-I175 CarbonylContact O-C 3.54Å; V165-I175 WeakPolarHBondContact O-CA 3.43Å; K166-I175 HydrophobicContact CB-CG1 3.92Å; K166-I175 HydrophobicContact CG-CG1 3.95Å
176G68Low74.2Confident3 Ų345.3 Ų45.33%0.03125%0.254CS..EExtended strand (participates in β ladder)trans-115.8146.1172.600000111.3F164 V165 A184F164-G176 WeakPolarHBondContact CA-O 3.44Å; V165-G176 PolarHBondContact N-O 2.94Å; V165-G176 PolarHBondContact O-N 2.84Å; G176-A184 CarbonylContact C-O 3.54Å; G176-A184 WeakPolarHBondContact CA-O 3.27Å
177T71Confident74.6Confident71 Ų7145.4 Ų45.444%0.43626%0.261SS..EExtended strand (participates in β ladder)trans-117.2153.7178.867.20000110.3F163 F164 A187F163-T177 CarbonylContact O-C 3.52Å; F163-T177 VanDerWaalsContact O-CA 3.31Å; F163-T177 WeakPolarHBondContact O-CA 3.33Å; F164-T177 HydrophobicContact CD1-CG2 3.46Å; F164-T177 VanDerWaalsContact CD1-CG2 3.46Å; F164-T177 HydrophobicContact CE1-CG2 3.48Å; F164-T177 VanDerWaalsContact CE1-CG2 3.48Å; F164-T177 HydrophobicContact CG-CG2 4.32Å; F164-T177 HydrophobicContact CZ-CG2 4.34Å; T177-A187 WeakPolarHBondContact O-CB 3.5Å
178G70.8Confident74.9Confident12 Ų1245.4 Ų45.412%0.12426%0.261CS..EExtended strand (participates in β ladder)trans-175.7165.4173.800000114F163 T180F163-G178 PolarHBondContact N-O 2.7Å; F163-G178 PolarHBondContact O-N 3.22Å; G178-T180 PolarHBondContact O-N 3.07Å; G178-T180 VanDerWaalsContact O-N 3.16Å
179P67.4Low75.5Confident97 Ų9744 Ų4463%0.6325%0.252SS*.SBendtrans-67.7-14.417928.6-36.5000113R161 F163 A183R161-P179 WeakPolarHBondContact O-CA 3.01Å; F163-P179 WeakPolarHBondContact CD2-O 3.47Å; F163-P179 WeakPolarHBondContact CE2-O 3.47Å; P179-A183 HydrophobicContact CG-CB 4.37Å
180T80.5Confident76.2Confident71 Ų7148.5 Ų48.544%0.43627%0.273SS..SBendtrans-136.2154.2175.966.60000109.4F163 G178 K182 A183 A184F163-T180 VanDerWaalsContact CD2-C 3.45Å; G178-T180 PolarHBondContact O-N 3.07Å; G178-T180 VanDerWaalsContact O-N 3.16Å; T180-K182 PolarHBondContact O-N 3.45Å; T180-K182 VanDerWaalsContact O-N 3.12Å; T180-A183 PolarHBondContact O-N 3.35Å; T180-A183 VanDerWaalsContact O-N 3.07Å; T180-A183 WeakPolarHBondContact OG1-CB 3.37Å; T180-A183 PolarHBondContact OG1-N 3Å; T180-A183 VanDerWaalsContact OG1-N 3.14Å; T180-A184 PolarHBondContact O-N 2.9Å
181K77.4Confident76.8Confident101 Ų10147.7 Ų47.744%0.43926%0.262SS..Hα-helixtrans-51.9-35.2172.7-67.4-168.1173.9-157.90112.8D144 F163 K185D144-K181 IonicContact OD2-NZ 3.75Å; D144-K181 PolarHBondContact OD2-NZ 3.45Å; F163-K181 HydrophobicContact CB-CG 4.2Å; F163-K181 HydrophobicContact CD1-CB 4.42Å; F163-K181 HydrophobicContact CD1-CD 4.21Å; F163-K181 HydrophobicContact CD1-CG 3.26Å; F163-K181 HydrophobicContact CE1-CD 4.35Å; F163-K181 HydrophobicContact CE1-CG 3.65Å; F163-K181 HydrophobicContact CG-CB 4.49Å; F163-K181 HydrophobicContact CG-CG 3.74Å; F163-K181 HydrophobicContact CZ-CG 4.41Å; K181-K185 WeakPolarHBondContact O-CB 3.38Å; K181-K185 WeakPolarHBondContact O-CG 3.25Å; K181-K185 PolarHBondContact O-N 3.36Å
182K84.9Confident77.6Confident133 Ų13344.1 Ų44.158%0.57824%0.239SC*.Hα-helixtrans-68.8-44.7178.7-174179.1179.1-179.30112T180 A184 K185 Q186T180-K182 PolarHBondContact O-N 3.45Å; T180-K182 VanDerWaalsContact O-N 3.12Å; K182-A184 VanDerWaalsContact C-N 3.34Å; K182-K185 PolarHBondContact O-N 3.35Å; K182-Q186 WeakPolarHBondContact O-CG 3.38Å; K182-Q186 PolarHBondContact O-N 3.39Å
183A81.2Confident78.4Confident29 Ų2944.6 Ų44.624%0.2424%0.242CC..Hα-helixtrans-64.1-42.3176.100000110.9P179 T180 K185 Q186 A187P179-A183 HydrophobicContact CG-CB 4.37Å; T180-A183 PolarHBondContact O-N 3.35Å; T180-A183 VanDerWaalsContact O-N 3.07Å; T180-A183 WeakPolarHBondContact OG1-CB 3.37Å; T180-A183 PolarHBondContact OG1-N 3Å; T180-A183 VanDerWaalsContact OG1-N 3.14Å; A183-K185 PolarHBondContact O-N 2.77Å; A183-Q186 PolarHBondContact O-N 2.83Å; A183-A187 WeakPolarHBondContact O-CB 3.47Å; A183-A187 PolarHBondContact O-N 2.8Å
184A78.7Confident79.1Confident0 Ų049.2 Ų49.20%026%0.261CS..Hα-helixtrans-60.1-44.6174.800000112.4F163 V165 G176 T180 K182 Q186 A187 A188F163-A184 HydrophobicContact CB-CB 4.01Å; F163-A184 WeakPolarHBondContact O-CB 3.49Å; V165-A184 HydrophobicContact CB-CB 4.09Å; V165-A184 HydrophobicContact CG2-CB 3.66Å; G176-A184 CarbonylContact C-O 3.54Å; G176-A184 WeakPolarHBondContact CA-O 3.27Å; T180-A184 PolarHBondContact O-N 2.9Å; K182-A184 VanDerWaalsContact C-N 3.34Å; A184-Q186 PolarHBondContact O-N 2.79Å; A184-A187 PolarHBondContact O-N 3.39Å; A184-A188 WeakPolarHBondContact O-CB 3.3Å; A184-A188 PolarHBondContact O-N 2.9Å
185K87.2Confident79Confident69 Ų6946.1 Ų46.130%0.325%0.251SS..Hα-helixtrans-60.3-42173.5-79.4-178.8-176.2-167.40112.9I125 Y142 D144 V165 K181 K182 A183 A188 A189I125-K185 HydrophobicContact CD1-CB 3.86Å; Y142-K185 HydrophobicContact CD1-CG 4.21Å; D144-K185 IonicContact OD1-NZ 3.42Å; V165-K185 HydrophobicContact CB-CG 4.1Å; V165-K185 HydrophobicContact CG1-CB 4.43Å; V165-K185 HydrophobicContact CG1-CD 4.48Å; V165-K185 HydrophobicContact CG1-CG 3.48Å; V165-K185 VanDerWaalsContact CG1-CG 3.48Å; V165-K185 HydrophobicContact CG2-CG 3.98Å; K181-K185 WeakPolarHBondContact O-CB 3.38Å; K181-K185 WeakPolarHBondContact O-CG 3.25Å; K181-K185 PolarHBondContact O-N 3.36Å; K182-K185 PolarHBondContact O-N 3.35Å; A183-K185 PolarHBondContact O-N 2.77Å; K185-A188 PolarHBondContact O-N 2.85Å; K185-A189 WeakPolarHBondContact O-CB 3.44Å; K185-A189 PolarHBondContact O-N 2.82Å
186Q89.5Confident79.3Confident54 Ų5445 Ų4525%0.25225%0.245SC..Hα-helixtrans-66.3-44178.2-74.1-179-19.400111.6I125 K182 A183 A184 A188 A189 E190I125-Q186 HydrophobicContact CD1-CG 3.75Å; I125-Q186 HydrophobicContact CG1-CG 4.15Å; K182-Q186 WeakPolarHBondContact O-CG 3.38Å; K182-Q186 PolarHBondContact O-N 3.39Å; A183-Q186 PolarHBondContact O-N 2.83Å; A184-Q186 PolarHBondContact O-N 2.79Å; Q186-A188 VanDerWaalsContact C-N 3.31Å; Q186-A188 PolarHBondContact O-N 3.46Å; Q186-A189 PolarHBondContact O-N 3.15Å; Q186-E190 WeakPolarHBondContact O-CB 3.24Å; Q186-E190 PolarHBondContact O-N 3.46Å
187A82.7Confident79.5Confident32 Ų3248.9 Ų48.926%0.26427%0.272SS..Hα-helixtrans-61.9-39.1175.100000111.9T177 A183 A184 E190 A191T177-A187 WeakPolarHBondContact O-CB 3.5Å; A183-A187 WeakPolarHBondContact O-CB 3.47Å; A183-A187 PolarHBondContact O-N 2.8Å; A184-A187 PolarHBondContact O-N 3.39Å; A187-E190 PolarHBondContact O-N 3.12Å; A187-A191 WeakPolarHBondContact O-CB 3.39Å; A187-A191 PolarHBondContact O-N 3.25Å
188A83.4Confident79Confident0 Ų051.9 Ų51.90%029%0.286CS..Hα-helixtrans-65.8-45.2178.600000111V165 A167 A184 K185 Q186 E190 A191 L192V165-A188 VanDerWaalsContact O-CB 3.25Å; V165-A188 WeakPolarHBondContact O-CB 3.24Å; A167-A188 HydrophobicContact CB-CB 3.79Å; A184-A188 WeakPolarHBondContact O-CB 3.3Å; A184-A188 PolarHBondContact O-N 2.9Å; K185-A188 PolarHBondContact O-N 2.85Å; Q186-A188 VanDerWaalsContact C-N 3.31Å; Q186-A188 PolarHBondContact O-N 3.46Å; A188-E190 VanDerWaalsContact C-N 3.35Å; A188-A191 PolarHBondContact O-N 3.44Å; A188-L192 WeakPolarHBondContact O-CB 3.4Å; A188-L192 PolarHBondContact O-N 2.82Å
189A88Confident78.4Confident0 Ų054.9 Ų54.90%030%0.296CS..Hα-helixtrans-64.8-38.6176.800000112.2P124 I125 L128 Y142 K185 Q186 L192 L193P124-A189 HydrophobicContact CB-CB 4.24Å; I125-A189 HydrophobicContact CB-CB 4.39Å; I125-A189 HydrophobicContact CG1-CB 3.76Å; L128-A189 HydrophobicContact CD2-CB 3.95Å; Y142-A189 HydrophobicContact CE1-CB 4.28Å; Y142-A189 WeakPolarHBondContact OH-CB 3.46Å; K185-A189 WeakPolarHBondContact O-CB 3.44Å; K185-A189 PolarHBondContact O-N 2.82Å; Q186-A189 PolarHBondContact O-N 3.15Å; A189-L192 PolarHBondContact O-N 3.43Å; A189-L193 WeakPolarHBondContact O-CB 3.18Å; A189-L193 WeakPolarHBondContact O-CG 3.2Å; A189-L193 PolarHBondContact O-N 2.77Å
190E86.5Confident77.2Confident96 Ų9653.6 Ų53.645%0.44929%0.288SS..Hα-helixtrans-66.8-45.4177.1-173.1169.3-170.200111.9P124 Q186 A187 A188 L192 L193 Q194P124-E190 HydrophobicContact CB-CB 3.94Å; P124-E190 HydrophobicContact CG-CB 4.24Å; Q186-E190 WeakPolarHBondContact O-CB 3.24Å; Q186-E190 PolarHBondContact O-N 3.46Å; A187-E190 PolarHBondContact O-N 3.12Å; A188-E190 VanDerWaalsContact C-N 3.35Å; E190-L192 VanDerWaalsContact C-N 3.27Å; E190-L192 PolarHBondContact O-N 2.95Å; E190-L193 WeakPolarHBondContact O-CB 3.4Å; E190-L193 PolarHBondContact O-N 2.75Å; E190-Q194 WeakPolarHBondContact O-CG 3.43Å; E190-Q194 PolarHBondContact O-N 3.42Å
191A80.1Confident75.8Confident29 Ų2955 Ų5524%0.2429%0.293CS..Hα-helixtrans-60.8-38.2174.500000111.8R174 A187 A188 A195R174-A191 HydrophobicContact CB-CB 3.88Å; R174-A191 HydrophobicContact CG-CB 4.19Å; A187-A191 WeakPolarHBondContact O-CB 3.39Å; A187-A191 PolarHBondContact O-N 3.25Å; A188-A191 PolarHBondContact O-N 3.44Å; A191-A195 WeakPolarHBondContact O-CB 3.44Å; A191-A195 PolarHBondContact O-N 3.15Å
192L80.6Confident74.1Confident0 Ų058 Ų580%031%0.308CS..Hα-helixtrans-69.6-40.9176.1-171.357.1000111.9L128 P140 A167 L169 F172 R174 A188 A189 E190 A195 L196L128-L192 HydrophobicContact CD1-CD2 4.37Å; L128-L192 HydrophobicContact CD1-CG 4.28Å; L128-L192 HydrophobicContact CD2-CB 4.33Å; L128-L192 HydrophobicContact CD2-CD2 3.76Å; L128-L192 HydrophobicContact CD2-CG 4.29Å; P140-L192 HydrophobicContact CB-CD2 4.49Å; A167-L192 HydrophobicContact CB-CD2 3.86Å; L169-L192 HydrophobicContact CB-CD2 3.84Å; F172-L192 HydrophobicContact CB-CD1 3.64Å; R174-L192 HydrophobicContact CB-CB 4.13Å; R174-L192 HydrophobicContact CG-CB 4.16Å; R174-L192 HydrophobicContact CG-CD1 4.06Å; A188-L192 WeakPolarHBondContact O-CB 3.4Å; A188-L192 PolarHBondContact O-N 2.82Å; A189-L192 PolarHBondContact O-N 3.43Å; E190-L192 VanDerWaalsContact C-N 3.27Å; E190-L192 PolarHBondContact O-N 2.95Å; L192-A195 WeakPolarHBondContact O-CB 3.24Å; L192-A195 PolarHBondContact O-N 3.39Å; L192-L196 HydrophobicContact CG-CD1 4.25Å; L192-L196 WeakPolarHBondContact O-CB 3.43Å; L192-L196 VanDerWaalsContact O-CG 3.24Å; L192-L196 WeakPolarHBondContact O-CG 3.3Å; L192-L196 PolarHBondContact O-N 3.01Å
193L82.4Confident72.3Confident28 Ų2856 Ų5615%0.14730%0.304CS..Hα-helixtrans-60-45173.1-83.9172000112.5P124 V127 L128 L131 A189 E190 A195 L196 S197P124-L193 HydrophobicContact CB-CD1 4.37Å; P124-L193 VanDerWaalsContact O-CD1 3.3Å; P124-L193 WeakPolarHBondContact O-CD1 3.5Å; V127-L193 HydrophobicContact CB-CD1 3.92Å; V127-L193 HydrophobicContact CG1-CD1 3.84Å; V127-L193 HydrophobicContact CG1-CD2 4.19Å; L128-L193 HydrophobicContact CB-CD1 4.12Å; L128-L193 HydrophobicContact CB-CD2 4Å; L128-L193 HydrophobicContact CB-CG 3.86Å; L128-L193 HydrophobicContact CD1-CD2 3.76Å; L128-L193 HydrophobicContact CD1-CG 3.91Å; L128-L193 HydrophobicContact CG-CD2 4.48Å; L128-L193 HydrophobicContact CG-CG 4.41Å; L131-L193 HydrophobicContact CD1-CD2 3.95Å; A189-L193 WeakPolarHBondContact O-CB 3.18Å; A189-L193 WeakPolarHBondContact O-CG 3.2Å; A189-L193 PolarHBondContact O-N 2.77Å; E190-L193 WeakPolarHBondContact O-CB 3.4Å; E190-L193 PolarHBondContact O-N 2.75Å; L193-A195 VanDerWaalsContact C-N 3.31Å; L193-A195 PolarHBondContact O-N 3.04Å; L193-L196 PolarHBondContact O-N 2.77Å; L193-S197 PolarHBondContact O-N 3.43Å; L193-S197 PolarHBondContact O-OG 2.86Å
194Q79.9Confident70.6Confident111 Ų11154.6 Ų54.652%0.51929%0.292SS..Hα-helixtrans-63.4-38.1176.6-72175.5600111.7E190 S197 N198E190-Q194 WeakPolarHBondContact O-CG 3.43Å; E190-Q194 PolarHBondContact O-N 3.42Å; Q194-S197 WeakPolarHBondContact CA-OG 3.26Å; Q194-S197 PolarHBondContact O-OG 3.42Å; Q194-N198 VanDerWaalsContact O-CG 3.27Å; Q194-N198 PolarHBondContact O-N 2.97Å; Q194-N198 PolarHBondContact O-ND2 2.96Å; Q194-N198 PolarHBondContact O-OD1 2.77Å
195A72.4Confident68.7Low8 Ų855.6 Ų55.67%0.06630%0.303CS..Hα-helixtrans-62.4-48.8172.500000110.6R174 A191 L192 L193 S197 N198 F199R174-A195 HydrophobicContact CG-CB 4.45Å; A191-A195 WeakPolarHBondContact O-CB 3.44Å; A191-A195 PolarHBondContact O-N 3.15Å; L192-A195 WeakPolarHBondContact O-CB 3.24Å; L192-A195 PolarHBondContact O-N 3.39Å; L193-A195 VanDerWaalsContact C-N 3.31Å; L193-A195 PolarHBondContact O-N 3.04Å; A195-S197 VanDerWaalsContact C-N 3.3Å; A195-S197 PolarHBondContact O-N 2.8Å; A195-N198 WeakPolarHBondContact O-CB 3.39Å; A195-N198 PolarHBondContact O-N 2.9Å; A195-N198 VanDerWaalsContact O-N 3.11Å; A195-F199 WeakPolarHBondContact O-CD2 3.18Å; A195-F199 WeakPolarHBondContact O-CE2 3.48Å
196L72.6Confident66.6Low0 Ų055.1 Ų55.10%031%0.312CS..Hα-helixtrans-66.7-25.5-179.4-68.2169.3000114.1L128 L131 L169 F172 L192 L193 N198 L204L128-L196 HydrophobicContact CD1-CD1 3.56Å; L131-L196 HydrophobicContact CD2-CD1 4.13Å; L169-L196 HydrophobicContact CD2-CD1 3.56Å; L169-L196 HydrophobicContact CD2-CD2 4.19Å; L169-L196 HydrophobicContact CD2-CG 4.48Å; F172-L196 HydrophobicContact CD2-CD2 3.98Å; F172-L196 HydrophobicContact CE2-CD2 4.36Å; F172-L196 HydrophobicContact CG-CD2 4.28Å; L192-L196 HydrophobicContact CG-CD1 4.25Å; L192-L196 WeakPolarHBondContact O-CB 3.43Å; L192-L196 VanDerWaalsContact O-CG 3.24Å; L192-L196 WeakPolarHBondContact O-CG 3.3Å; L192-L196 PolarHBondContact O-N 3.01Å; L193-L196 PolarHBondContact O-N 2.77Å; L196-N198 VanDerWaalsContact C-N 3.27Å; L196-L204 HydrophobicContact CD2-CD1 4.36Å; L196-L204 HydrophobicContact CD2-CD2 3.79Å
197S72.2Confident64.6Low86 Ų8655.8 Ų55.860%0.60132%0.317SS*.Hα-helixtrans-73.1-22.2174.157.60000113L193 Q194 A195 F199L193-S197 PolarHBondContact O-N 3.43Å; L193-S197 PolarHBondContact O-OG 2.86Å; Q194-S197 WeakPolarHBondContact CA-OG 3.26Å; Q194-S197 PolarHBondContact O-OG 3.42Å; A195-S197 VanDerWaalsContact C-N 3.3Å; A195-S197 PolarHBondContact O-N 2.8Å; S197-F199 VanDerWaalsContact C-N 3.33Å
198N61.3Low62.7Low134 Ų13456.8 Ų56.872%0.71732%0.315SS*.SBendtrans-84.1-10.9178.8-62.9-6.8000112.6Q194 A195 L196Q194-N198 VanDerWaalsContact O-CG 3.27Å; Q194-N198 PolarHBondContact O-N 2.97Å; Q194-N198 PolarHBondContact O-ND2 2.96Å; Q194-N198 PolarHBondContact O-OD1 2.77Å; A195-N198 WeakPolarHBondContact O-CB 3.39Å; A195-N198 PolarHBondContact O-N 2.9Å; A195-N198 VanDerWaalsContact O-N 3.11Å; L196-N198 VanDerWaalsContact C-N 3.27Å
199F57.1Low60.9Low75 Ų7566.3 Ų66.333%0.32935%0.351SS..SBendtrans-99.5131.6174.4-63.3-79.1000110.2F172 A195 S197 L204F172-F199 AromaticContact CD1-CE2 3.98Å; F172-F199 HydrophobicContact CD1-CE2 3.98Å; F172-F199 HydrophobicContact CD1-CZ 4.46Å; F172-F199 AromaticContact CE1-CD2 3.77Å; F172-F199 HydrophobicContact CE1-CD2 3.77Å; F172-F199 HydrophobicContact CE1-CE1 4.19Å; F172-F199 AromaticContact CE1-CE2 3.34Å; F172-F199 HydrophobicContact CE1-CE2 3.34Å; F172-F199 HydrophobicContact CE1-CG 4.4Å; F172-F199 AromaticContact CE1-CZ 3.59Å; F172-F199 HydrophobicContact CE1-CZ 3.59Å; F172-F199 HydrophobicContact CZ-CD2 4.1Å; F172-F199 HydrophobicContact CZ-CE2 4.11Å; F172-F199 HydrophobicContact CZ-CG 4.39Å; F172-F199 HydrophobicContact CZ-CZ 4.35Å; A195-F199 WeakPolarHBondContact O-CD2 3.18Å; A195-F199 WeakPolarHBondContact O-CE2 3.48Å; S197-F199 VanDerWaalsContact C-N 3.33Å; F199-L204 HydrophobicContact CB-CD1 3.96Å; F199-L204 HydrophobicContact CB-CD2 3.82Å; F199-L204 HydrophobicContact CB-CG 3.71Å; F199-L204 HydrophobicContact CD2-CD2 4.35Å; F199-L204 HydrophobicContact CG-CD2 4.17Å
200C43.8Very low58.7Low70 Ų7074.1 Ų74.147%0.47339%0.387SS..  trans-62.7146.5171.1-179.10000109.6Q202 D203C200-Q202 PolarHBondContact O-N 3.08Å; C200-D203 PolarHBondContact O-N 2.8Å; C200-D203 VanDerWaalsContact O-N 3.08Å
201D49.3Very low56.5Low100 Ų10077.7 Ų77.754%0.53541%0.409SS..Hα-helixtrans-51.9-26.5178.2-91.3-50.4000113.1R135R135-D201 IonicContact CZ-OD1 2.96Å; R135-D201 IonicContact NE-OD1 2.69Å; R135-D201 PolarHBondContact NE-OD1 2.76Å; R135-D201 IonicContact NH2-OD1 3.75Å; R135-D201 PolarHBondContact NH2-OD1 2.84Å; R135-D201 IonicContact NH2-OD2 3.97Å
202Q43.5Very low54.4Low163 Ų16384.8 Ų84.876%0.76244%0.438SS*.Hα-helixtrans-75.8-36.6-179-65-180200113.1C200C200-Q202 PolarHBondContact O-N 3.08Å
203D45.4Very low52.3Low91 Ų9194 Ų9449%0.48748%0.481SS..Hα-helixtrans-73.3-38.2-178-63.6-44.1000111.6C200 G205 A206 I207C200-D203 PolarHBondContact O-N 2.8Å; C200-D203 VanDerWaalsContact O-N 3.08Å; D203-G205 VanDerWaalsContact C-N 3.32Å; D203-G205 PolarHBondContact O-N 2.74Å; D203-A206 PolarHBondContact O-N 2.79Å; D203-I207 WeakPolarHBondContact O-CG1 3.32Å; D203-I207 PolarHBondContact O-N 3.2Å
204L47.2Very low49.7Very low0 Ų0101.8 Ų101.80%052%0.521CS..Hα-helixtrans-65.4-38.8178.6-64.2164.3000111Y137 F172 L196 F199 A206 I207 F208Y137-L204 WeakPolarHBondContact OH-CB 3.43Å; F172-L204 HydrophobicContact CD2-CD2 4.12Å; F172-L204 HydrophobicContact CE1-CD2 4.44Å; F172-L204 HydrophobicContact CE2-CD2 3.2Å; F172-L204 HydrophobicContact CZ-CD2 3.4Å; L196-L204 HydrophobicContact CD2-CD1 4.36Å; L196-L204 HydrophobicContact CD2-CD2 3.79Å; F199-L204 HydrophobicContact CB-CD1 3.96Å; F199-L204 HydrophobicContact CB-CD2 3.82Å; F199-L204 HydrophobicContact CB-CG 3.71Å; F199-L204 HydrophobicContact CD2-CD2 4.35Å; F199-L204 HydrophobicContact CG-CD2 4.17Å; L204-A206 PolarHBondContact O-N 2.89Å; L204-I207 PolarHBondContact O-N 3.48Å; L204-F208 HydrophobicContact CB-CD2 4.46Å; L204-F208 HydrophobicContact CD2-CE2 4.26Å; L204-F208 WeakPolarHBondContact O-CD2 3.49Å; L204-F208 PolarHBondContact O-N 2.91Å
205G38.5Very low47.4Very low21 Ų2199.5 Ų99.522%0.21653%0.528CS..Hα-helixtrans-60-30.5178.200000114.2D203 R209D203-G205 VanDerWaalsContact C-N 3.32Å; D203-G205 PolarHBondContact O-N 2.74Å; G205-R209 WeakPolarHBondContact O-CB 3.46Å; G205-R209 WeakPolarHBondContact O-CD 3.19Å; G205-R209 WeakPolarHBondContact O-CG 3.46Å
206A42.8Very low45.5Very low60 Ų60105.6 Ų105.650%0.49657%0.567SS.*Hα-helixtrans-74.3-43.9176.800000111.9D203 L204 F208 R209D203-A206 PolarHBondContact O-N 2.79Å; L204-A206 PolarHBondContact O-N 2.89Å; A206-F208 VanDerWaalsContact C-N 3.34Å; A206-F208 PolarHBondContact O-N 2.88Å; A206-R209 PolarHBondContact O-N 3.37Å
207I47.4Very low43.6Very low68 Ų68117 Ų11735%0.34961%0.61SS.*Hα-helixtrans-73.5-26.2-174.4-45.3160.6000112.1P171 F172 D203 L204P171-I207 HydrophobicContact CB-CG2 3.86Å; P171-I207 HydrophobicContact CG-CB 4.28Å; P171-I207 HydrophobicContact CG-CG2 3.48Å; P171-I207 VanDerWaalsContact CG-CG2 3.48Å; F172-I207 HydrophobicContact CE2-CD1 4.34Å; F172-I207 HydrophobicContact CZ-CD1 3.81Å; D203-I207 WeakPolarHBondContact O-CG1 3.32Å; D203-I207 PolarHBondContact O-N 3.2Å; L204-I207 PolarHBondContact O-N 3.48Å
208F43.3Very low42Very low53 Ų53122.2 Ų122.223%0.23263%0.625CS.*THydrogen-bonded Turntrans-89.6-1.1176.4-73.4-80.5000114.1Y137 L169 P171 F172 L204 A206Y137-F208 HydrophobicContact CD1-CB 4.07Å; Y137-F208 HydrophobicContact CD1-CD1 4.11Å; Y137-F208 AromaticContact CD1-CD2 3.84Å; Y137-F208 HydrophobicContact CD1-CD2 3.84Å; Y137-F208 HydrophobicContact CD1-CE1 4.47Å; Y137-F208 HydrophobicContact CD1-CE2 4.3Å; Y137-F208 AromaticContact CD1-CG 3.77Å; Y137-F208 HydrophobicContact CD1-CG 3.77Å; Y137-F208 HydrophobicContact CD2-CE2 4.26Å; Y137-F208 HydrophobicContact CD2-CZ 4.46Å; Y137-F208 HydrophobicContact CE1-CB 3.84Å; Y137-F208 HydrophobicContact CE1-CD1 4.47Å; Y137-F208 AromaticContact CE1-CD2 3.42Å; Y137-F208 HydrophobicContact CE1-CD2 3.42Å; Y137-F208 VanDerWaalsContact CE1-CD2 3.42Å; Y137-F208 HydrophobicContact CE1-CE2 4.07Å; Y137-F208 AromaticContact CE1-CG 3.69Å; Y137-F208 HydrophobicContact CE1-CG 3.69Å; Y137-F208 HydrophobicContact CE2-CD2 4.16Å; Y137-F208 AromaticContact CE2-CE2 4Å; Y137-F208 HydrophobicContact CE2-CE2 4Å; Y137-F208 HydrophobicContact CG-CD2 4.4Å; Y137-F208 HydrophobicContact CG-CE2 4.42Å; Y137-F208 HydrophobicContact CG-CZ 4.47Å; Y137-F208 AromaticContact CZ-CD2 3.63Å; Y137-F208 AromaticContact CZ-CE2 3.94Å; L169-F208 HydrophobicContact CD2-CZ 4.34Å; L169-F208 HydrophobicContact CG-CE1 4.28Å; L169-F208 HydrophobicContact CG-CZ 3.95Å; L169-F208 WeakPolarHBondContact O-CZ 3.39Å; P171-F208 HydrophobicContact CG-CZ 4.35Å; F172-F208 AromaticContact CD2-CE2 3.92Å; F172-F208 HydrophobicContact CD2-CE2 3.92Å; F172-F208 AromaticContact CD2-CZ 3.85Å; F172-F208 HydrophobicContact CD2-CZ 3.85Å; F172-F208 AromaticContact CE2-CE2 3.76Å; F172-F208 HydrophobicContact CE2-CE2 3.76Å; F172-F208 HydrophobicContact CE2-CZ 4.16Å; L204-F208 HydrophobicContact CB-CD2 4.46Å; L204-F208 HydrophobicContact CD2-CE2 4.26Å; L204-F208 WeakPolarHBondContact O-CD2 3.49Å; L204-F208 PolarHBondContact O-N 2.91Å; A206-F208 VanDerWaalsContact C-N 3.34Å; A206-F208 PolarHBondContact O-N 2.88Å
209R45Very low40.6Very low200 Ų200123.1 Ų123.176%0.75563%0.63SS**  trans-99.5-1.8-178.3-89.1-177.6-173.6171.63.3114.8G205 A206 D211G205-R209 WeakPolarHBondContact O-CB 3.46Å; G205-R209 WeakPolarHBondContact O-CD 3.19Å; G205-R209 WeakPolarHBondContact O-CG 3.46Å; A206-R209 PolarHBondContact O-N 3.37Å; R209-D211 PolarHBondContact O-N 3.21Å
210E42.4Very low39.6Very low163 Ų163127.4 Ų127.476%0.76266%0.656SS**THydrogen-bonded Turntrans-75.313.3-168.4-67.1-172.7148.300116.4
211D39Very low39.2Very low171 Ų171129.9 Ų129.991%0.91467%0.669SS**THydrogen-bonded Turntrans-102.84.4173.3-76.4-34.8000114.6R209R209-D211 PolarHBondContact O-N 3.21Å
212E37.2Very low38.5Very low179 Ų179130.6 Ų130.684%0.83668%0.681SS**SBendtrans-118112170.2-81.9-161.6137.400112.9
213E35.5Very low37.8Very low193 Ų193126.4 Ų126.490%0.90268%0.682SS**  trans63104.6159-79.3-174.9144.500120.5G215E213-G215 PolarHBondContact O-N 3.07Å
214L28.6Very low37.1Very low191 Ų191130.6 Ų130.6100%170%0.699SS**  trans-54.4114.9157.6-73.6154.6000111.9
215G31.3Very low36.1Very low63 Ų63137.1 Ų137.165%0.64973%0.734SS**  trans-135.8142164.400000110.9E213E213-G215 PolarHBondContact O-N 3.07Å
216P33.2Very low35.8Very low137 Ų137142.2 Ų142.289%0.8976%0.761SS**  trans-78.1142.1-167.328.6-27.5000113
217R32.4Very low35.1Very low240 Ų240148.8 Ų148.891%0.90678%0.781SS**  trans-74.8142.9179.5-69.4179161.8169.2-3.8112
218E38.9Very low34Very low194 Ų194149.1 Ų149.191%0.90780%0.801SS**  trans-128.7139.4153.9-68.3-169.6149.800109.3
219D31.3Very low33.4Very low154 Ų154152.8 Ų152.882%0.82483%0.833SS**  trans-66.3149.4-170.2-53.8-70.3000114.3
220D36.3Very low32.7Very low164 Ų164148.9 Ų148.988%0.87783%0.834SS**  trans-170.2159.2130.2-125.4-49.9000114.2
221V33.9Very low32Very low123 Ų123147.3 Ų147.375%0.74584%0.835SS**  trans-100169.6-147.9165.70000114.4
222S34.8Very low31.4Very low114 Ų114143.2 Ų143.280%0.79782%0.821SS**  trans94.4113.1160.471.10000116.2
223G29.1Very low30.9Very low75 Ų75141.5 Ų141.577%0.77382%0.816SS**  98.7134.175.200000107.7
224E31.2Very low30.4Very low180 Ų180141 Ų14184%0.84181%0.811SS**  cis-160149.916.1-85.1172.683.600108.8
225N27Very low30.3Very low137 Ų137137.6 Ų137.673%0.73380%0.798SS**  trans31.4128.7141.2-55.2-35.7000122.1
226T31Very low30Very low128 Ų128140.3 Ų140.379%0.78581%0.808SS**  174.5106.5110-610000113.2
227E27.7Very low29.7Very low198 Ų198136.5 Ų136.593%0.92579%0.793SS**  trans39.3125141.6-53.3-169.9146.800125
228G25.9Very low29.5Very low75 Ų75134 Ų13477%0.77379%0.792SS**  trans161.488.7147.300000119
229S30.2Very low29.4Very low129 Ų129131.8 Ų131.890%0.90279%0.786SS**  trans66.4154.5169.6-58.50000117.9
230P30.5Very low29.6Very low119 Ų119128.1 Ų128.177%0.77378%0.784SS**  cis-108.3164.9-1.338.2-25.1000112.7S232P230-S232 PolarHBondContact O-N 2.79Å
231T26.9Very low30.1Very low129 Ų129122.7 Ų122.779%0.79176%0.755SS**  trans-6291.6-173.3-44.30000113.2L233T231-L233 HydrophobicContact CG2-CD2 4.39Å; T231-L233 HydrophobicContact CG2-CG 3.97Å
232S27.5Very low30.9Very low86 Ų86120.8 Ų120.860%0.60174%0.744SS**  trans-84.7106.4154.866.30000107.9P230 F234P230-S232 PolarHBondContact O-N 2.79Å; S232-F234 VanDerWaalsContact C-N 3.33Å; S232-F234 PolarHBondContact O-N 3.31Å
233L26.1Very low31.7Very low142 Ų142117.9 Ų117.974%0.74372%0.719SS**  trans-78.590.3170.3-76.7167000108.4T231 V235T231-L233 HydrophobicContact CG2-CD2 4.39Å; T231-L233 HydrophobicContact CG2-CG 3.97Å; L233-V235 PolarHBondContact O-N 2.84Å; L233-V235 VanDerWaalsContact O-N 3.11Å
234F24.4Very low32.8Very low182 Ų182121.2 Ų121.280%0.79872%0.715SS**  trans-61.4105.2156.2-83-92000107.7S232S232-F234 VanDerWaalsContact C-N 3.33Å; S232-F234 PolarHBondContact O-N 3.31Å
235V27.4Very low34Very low120 Ų120113.7 Ų113.773%0.72769%0.685SS**  trans-104.397.6161.7-179.60000106.8L233 G237L233-V235 PolarHBondContact O-N 2.84Å; L233-V235 VanDerWaalsContact O-N 3.11Å; V235-G237 PolarHBondContact O-N 3.4Å
236S25.2Very low35.3Very low121 Ų121107.3 Ų107.385%0.84665%0.651SS**  trans-57.1113.7163.6-50.60000108.4
237G27Very low36.5Very low57 Ų57104.7 Ų104.759%0.58863%0.629SS**  trans-157.792.1-177.900000110.2V235 N239V235-G237 PolarHBondContact O-N 3.4Å; G237-N239 PolarHBondContact O-N 3.24Å
238E27.9Very low37.8Very low187 Ų187102.2 Ų102.287%0.87462%0.622SS**SBendtrans-41.2111.9178.1-59.1168130.200112.7
239N35.5Very low39.5Very low148 Ų148101 Ų10179%0.79160%0.597SS**  trans158.482.8151.2-78.2-22.7000109.4G237 L241G237-N239 PolarHBondContact O-N 3.24Å; N239-L241 PolarHBondContact O-N 2.76Å
240G35.7Very low40.9Very low76 Ų7698.5 Ų98.578%0.78457%0.574SS**  trans-66112.2-177.800000112.9T242G240-T242 PolarHBondContact O-N 3.35Å
241L47.7Very low42.3Very low51 Ų5193.4 Ų93.427%0.26754%0.54SS..  trans-69114.2165.7-90.5136.9000109.4N239 L249 L263N239-L241 PolarHBondContact O-N 2.76Å; L241-L249 HydrophobicContact CD2-CD1 4.2Å; L241-L249 HydrophobicContact CD2-CD2 4.47Å; L241-L263 HydrophobicContact CD1-CD2 3.67Å
242T50.4Low43.7Very low83 Ų8392.7 Ų92.751%0.50953%0.531SS..  trans-79.5157.1170.953.20000110.4G240 Q244 G245 L246G240-T242 PolarHBondContact O-N 3.35Å; T242-Q244 PolarHBondContact O-N 3Å; T242-G245 WeakPolarHBondContact O-CA 3.49Å; T242-G245 PolarHBondContact O-N 3.45Å; T242-L246 PolarHBondContact O-N 3.42Å
243L51.8Low45Very low52 Ų5294.7 Ų94.727%0.27254%0.535SS..THydrogen-bonded Turntrans-51.6-27.7173.4-74.5170.3000113.4V267 M270L243-V267 HydrophobicContact CD2-CG1 4.03Å; L243-M270 HydrophobicContact CD1-CB 4.19Å; L243-M270 HydrophobicContact CD1-CE 4.04Å; L243-M270 HydrophobicContact CD1-SD 4.46Å; L243-M270 HydrophobicContact CG-CB 4.27Å; L243-M270 HydrophobicContact CG-CE 4.33Å; L243-M270 HydrophobicContact CG-SD 4.13Å
244Q51.4Low46.5Very low146 Ų14689.9 Ų89.968%0.68251%0.51SS*.THydrogen-bonded Turntrans-71.7-37.1173.9-69-177.2-1.400112.3T242 L246 K247T242-Q244 PolarHBondContact O-N 3Å; Q244-L246 PolarHBondContact O-N 2.94Å; Q244-K247 WeakPolarHBondContact O-CB 3.3Å; Q244-K247 PolarHBondContact O-N 3.39Å; Q244-K247 VanDerWaalsContact O-N 3.15Å
245G56.3Low47.8Very low21 Ų2185.1 Ų85.122%0.21650%0.498CS..Hα-helixtrans-65.3-20.6174.500000114.1T242 K247 D248 L249T242-G245 WeakPolarHBondContact O-CA 3.49Å; T242-G245 PolarHBondContact O-N 3.45Å; G245-K247 VanDerWaalsContact C-N 3.28Å; G245-K247 PolarHBondContact O-N 2.9Å; G245-D248 PolarHBondContact O-N 3.12Å; G245-L249 PolarHBondContact O-N 3.42Å
246L55.2Low48.8Very low4 Ų484.9 Ų84.92%0.02151%0.508CS..Hα-helixtrans-68.6-25.7173.8-162.472.3000112.7T242 Q244 V267 L318 L321T242-L246 PolarHBondContact O-N 3.42Å; Q244-L246 PolarHBondContact O-N 2.94Å; L246-V267 HydrophobicContact CD1-CG2 4.24Å; L246-V267 HydrophobicContact CD2-CG1 4.32Å; L246-L318 HydrophobicContact CD1-CD2 4.19Å; L246-L321 HydrophobicContact CD2-CB 4.17Å
247K55.7Low49.9Very low72 Ų7288 Ų8831%0.31351%0.509SS..Hα-helixtrans-66.7-41.2176-64.3-178.7-171.1174.50111.4Q244 G245 K322 V325 S329Q244-K247 WeakPolarHBondContact O-CB 3.3Å; Q244-K247 PolarHBondContact O-N 3.39Å; Q244-K247 VanDerWaalsContact O-N 3.15Å; G245-K247 VanDerWaalsContact C-N 3.28Å; G245-K247 PolarHBondContact O-N 2.9Å; K247-K322 VanDerWaalsContact O-CE 3.27Å; K247-K322 WeakPolarHBondContact O-CE 3.11Å; K247-K322 PolarHBondContact O-NZ 2.82Å; K247-V325 HydrophobicContact CD-CG1 4.08Å; K247-V325 HydrophobicContact CG-CG1 3.67Å; K247-S329 WeakPolarHBondContact CE-OG 3.49Å; K247-S329 PolarHBondContact NZ-OG 2.99Å
248D56.3Low51.4Low146 Ų14687.6 Ų87.678%0.78150%0.498SS*.Hα-helixtrans-86.5-8-175.9-61.4-34.9000113.1G245 D250G245-D248 PolarHBondContact O-N 3.12Å; D248-D250 PolarHBondContact O-N 3.03Å
249L60.1Low53.1Low49 Ų4979.6 Ų79.626%0.25746%0.463SS..  trans-78.2118179.5-146.774.2000110.9L241 G245 L251 L254 L263 K322L241-L249 HydrophobicContact CD2-CD1 4.2Å; L241-L249 HydrophobicContact CD2-CD2 4.47Å; G245-L249 PolarHBondContact O-N 3.42Å; L249-L251 PolarHBondContact O-N 2.91Å; L249-L251 VanDerWaalsContact O-N 3.12Å; L249-L254 HydrophobicContact CD2-CD1 4.39Å; L249-L263 HydrophobicContact CD2-CD1 4.13Å; L249-K322 PolarHBondContact O-NZ 3.39Å
250D60.2Low54.5Low78 Ų7873 Ų7342%0.41743%0.428SS..  trans-77.193.8172.8-1714.6000109.7D248 D252 N253 L254D248-D250 PolarHBondContact O-N 3.03Å; D250-D252 PolarHBondContact O-N 2.87Å; D250-D252 PolarHBondContact OD1-N 3.42Å; D250-N253 HydrophobicContact CB-CB 4.38Å; D250-N253 PolarHBondContact O-N 2.86Å; D250-N253 PolarHBondContact OD2-ND2 2.95Å; D250-L254 WeakPolarHBondContact O-CD1 3.4Å
251L59.8Low55.7Low12 Ų1269.8 Ų69.86%0.06339%0.394CS..THydrogen-bonded Turntrans-59.2-16.3179.1-72.4165.7000113.1L249 L254 L318 R319 K322L249-L251 PolarHBondContact O-N 2.91Å; L249-L251 VanDerWaalsContact O-N 3.12Å; L251-L254 HydrophobicContact CD2-CD1 4.47Å; L251-L318 HydrophobicContact CD1-CB 4.34Å; L251-L318 HydrophobicContact CD2-CB 4.05Å; L251-L318 HydrophobicContact CD2-CD1 4.23Å; L251-R319 HydrophobicContact CD1-CG 3.95Å; L251-K322 HydrophobicContact CD1-CB 4.39Å; L251-K322 HydrophobicContact CD1-CD 3.92Å
252D56.8Low56.5Low114 Ų11472.7 Ų72.761%0.6141%0.406SS*.THydrogen-bonded Turntrans-92.7-12.8179.8-63.3-32.7000112.9D250 R319D250-D252 PolarHBondContact O-N 2.87Å; D250-D252 PolarHBondContact OD1-N 3.42Å; D252-R319 IonicContact OD1-CZ 3.14Å; D252-R319 IonicContact OD1-NH2 2.75Å; D252-R319 PolarHBondContact OD1-NH2 3.42Å
253N54.6Low57.2Low127 Ų12769.9 Ų69.968%0.67939%0.387SS*.SBendtrans-124.340.8178.4-83.4-54.2000112.8D250D250-N253 HydrophobicContact CB-CB 4.38Å; D250-N253 PolarHBondContact O-N 2.86Å; D250-N253 PolarHBondContact OD2-ND2 2.95Å
254L57.8Low57.8Low41 Ų4167.4 Ų67.422%0.21537%0.374CS..  trans-68.7140.6169.6-101.479.6000110.8L249 D250 L251 A256 L263L249-L254 HydrophobicContact CD2-CD1 4.39Å; D250-L254 WeakPolarHBondContact O-CD1 3.4Å; L251-L254 HydrophobicContact CD2-CD1 4.47Å; L254-A256 PolarHBondContact O-N 3.42Å; L254-L263 HydrophobicContact CD2-CD1 3.34Å; L254-L263 HydrophobicContact CG-CD1 4.43Å
255P51.5Low58.3Low83 Ų8365.6 Ų65.654%0.53937%0.366SS..  trans-53.9137.4167.5-15.426000109.2E257 S258P255-E257 PolarHBondContact O-N 2.96Å; P255-S258 PolarHBondContact O-N 3Å
256A48.6Very low58.5Low115 Ų11568.9 Ų68.995%0.9538%0.376SS*.THydrogen-bonded Turntrans-57.6-9.4179.700000114.4L254L254-A256 PolarHBondContact O-N 3.42Å
257E47.8Very low58.7Low185 Ų18569 Ų6986%0.86438%0.377SS*.THydrogen-bonded Turntrans-96.8-7.5179-58.3-173.9172.400113.4P255P255-E257 PolarHBondContact O-N 2.96Å
258S58.2Low58.7Low50 Ų5065.8 Ų65.835%0.3536%0.363SS..  trans-93.9104.8-179.9-540000110.5P255 C260P255-S258 PolarHBondContact O-N 3Å; S258-C260 PolarHBondContact O-N 2.91Å
259S63.7Low58.4Low19 Ų1963.2 Ų63.213%0.13335%0.354CS..  trans-71.1121175.9170.50000110.3A261 Q262 L263 D311S259-A261 PolarHBondContact O-N 3.26Å; S259-A261 PolarHBondContact OG-N 3.28Å; S259-Q262 WeakPolarHBondContact O-CB 3.41Å; S259-Q262 PolarHBondContact O-N 3.35Å; S259-L263 PolarHBondContact O-N 2.77Å; S259-L263 VanDerWaalsContact O-N 3.16Å; S259-D311 WeakPolarHBondContact CA-OD1 3.46Å; S259-D311 WeakPolarHBondContact CB-OD1 3.48Å; S259-D311 PolarHBondContact OG-OD1 3.11Å
260C64.7Low57.7Low10 Ų1066 Ų667%0.06837%0.368CS..Hα-helixtrans-59.2-27.8174.3-60.20000112.1S258 Q262 L263 L264 D311 A314 L315 L318S258-C260 PolarHBondContact O-N 2.91Å; C260-Q262 VanDerWaalsContact C-N 3.35Å; C260-L263 PolarHBondContact O-N 3.09Å; C260-L264 WeakPolarHBondContact O-CB 3.37Å; C260-L264 PolarHBondContact O-N 3.27Å; C260-D311 HydrophobicContact CB-CB 4.12Å; C260-D311 PolarHBondContact N-OD1 3.5Å; C260-A314 HydrophobicContact CB-CB 3.89Å; C260-L315 HydrophobicContact CB-CB 4.49Å; C260-L318 HydrophobicContact CB-CD1 4.35Å
261A60.2Low57.1Low7 Ų765.1 Ų65.16%0.05836%0.361CS..Hα-helixtrans-64.3-36.7172.300000112.7S259 L264 E265 F277 M310 D311S259-A261 PolarHBondContact O-N 3.26Å; S259-A261 PolarHBondContact OG-N 3.28Å; A261-L264 WeakPolarHBondContact O-CB 3.46Å; A261-L264 PolarHBondContact O-N 2.82Å; A261-E265 PolarHBondContact O-N 3.39Å; A261-E265 VanDerWaalsContact O-N 3.11Å; A261-F277 HydrophobicContact CB-CE2 4.27Å; A261-F277 HydrophobicContact CB-CZ 4.07Å; A261-M310 HydrophobicContact CB-CB 4.22Å; A261-M310 HydrophobicContact CB-CE 4.26Å; A261-D311 PolarHBondContact N-OD1 3.02Å
262Q65.1Low56.4Low113 Ų11370.8 Ų70.853%0.52840%0.396SS..Hα-helixtrans-71.8-38.5175-67.1177.5-34.800112S259 C260 L264 E265 Q266S259-Q262 WeakPolarHBondContact O-CB 3.41Å; S259-Q262 PolarHBondContact O-N 3.35Å; C260-Q262 VanDerWaalsContact C-N 3.35Å; Q262-L264 PolarHBondContact O-N 3.02Å; Q262-E265 PolarHBondContact O-N 2.91Å; Q262-Q266 PolarHBondContact O-N 3.43Å
263L64.7Low55.9Low23 Ų2365.8 Ų65.812%0.1237%0.371CS..Hα-helixtrans-60-39.3171.3-72.1178.2000111.2L241 L249 L254 S259 C260 E265 Q266 V267 L318L241-L263 HydrophobicContact CD1-CD2 3.67Å; L249-L263 HydrophobicContact CD2-CD1 4.13Å; L254-L263 HydrophobicContact CD2-CD1 3.34Å; L254-L263 HydrophobicContact CG-CD1 4.43Å; S259-L263 PolarHBondContact O-N 2.77Å; S259-L263 VanDerWaalsContact O-N 3.16Å; C260-L263 PolarHBondContact O-N 3.09Å; L263-E265 VanDerWaalsContact C-N 3.34Å; L263-E265 PolarHBondContact O-N 2.91Å; L263-Q266 PolarHBondContact O-N 3.5Å; L263-Q266 VanDerWaalsContact O-N 3.15Å; L263-V267 VanDerWaalsContact O-CG2 3.27Å; L263-V267 WeakPolarHBondContact O-CG2 3.28Å; L263-V267 PolarHBondContact O-N 3.44Å; L263-L318 HydrophobicContact CB-CD1 4.32Å
264L66Low55.8Low0 Ų062.9 Ų62.90%036%0.359CS..Hα-helixtrans-63-41.5177.4-167.274.7000112.3C260 A261 Q262 Q266 V267 L268 F275 F277 L290 A314 F317 L318C260-L264 WeakPolarHBondContact O-CB 3.37Å; C260-L264 PolarHBondContact O-N 3.27Å; A261-L264 WeakPolarHBondContact O-CB 3.46Å; A261-L264 PolarHBondContact O-N 2.82Å; Q262-L264 PolarHBondContact O-N 3.02Å; L264-Q266 PolarHBondContact O-N 3.08Å; L264-V267 PolarHBondContact O-N 3.27Å; L264-L268 HydrophobicContact CD1-CD1 3.66Å; L264-L268 HydrophobicContact CD1-CG 3.96Å; L264-L268 HydrophobicContact CD2-CD1 3.74Å; L264-L268 HydrophobicContact CG-CD1 3.47Å; L264-L268 VanDerWaalsContact CG-CD1 3.47Å; L264-L268 HydrophobicContact CG-CG 4.05Å; L264-L268 WeakPolarHBondContact O-CB 3.37Å; L264-L268 PolarHBondContact O-N 3.1Å; L264-F275 HydrophobicContact CD2-CD2 3.97Å; L264-F275 HydrophobicContact CD2-CE2 3.93Å; L264-F275 HydrophobicContact CG-CE2 4.45Å; L264-F277 HydrophobicContact CD2-CE2 3.75Å; L264-F277 HydrophobicContact CD2-CZ 3.48Å; L264-F277 VanDerWaalsContact CD2-CZ 3.48Å; L264-L290 HydrophobicContact CD2-CD1 3.57Å; L264-L290 HydrophobicContact CD2-CD2 3.54Å; L264-L290 HydrophobicContact CD2-CG 4.21Å; L264-A314 HydrophobicContact CB-CB 4.34Å; L264-A314 HydrophobicContact CD2-CB 4.32Å; L264-F317 HydrophobicContact CD1-CD1 3.36Å; L264-F317 HydrophobicContact CD1-CE1 3.65Å; L264-L318 HydrophobicContact CD1-CD2 3.98Å; L264-L318 HydrophobicContact CD1-CG 4.24Å
265E61.1Low55.7Low109 Ų10963.6 Ų63.651%0.50936%0.36SS..Hα-helixtrans-63.4-24174.3-77.2178.8-176.700113.5A261 Q262 L263 P269 F275A261-E265 PolarHBondContact O-N 3.39Å; A261-E265 VanDerWaalsContact O-N 3.11Å; Q262-E265 PolarHBondContact O-N 2.91Å; L263-E265 VanDerWaalsContact C-N 3.34Å; L263-E265 PolarHBondContact O-N 2.91Å; E265-P269 WeakPolarHBondContact O-CD 3.2Å; E265-P269 WeakPolarHBondContact O-CG 3.35Å; E265-F275 HydrophobicContact CG-CE2 4.41Å; E265-F275 HydrophobicContact CG-CZ 3.9Å
266Q60.3Low55.6Low89 Ų8960.7 Ų60.742%0.41634%0.343SS..Hα-helixtrans-84.6-33.1174.1-67.5-177.5-8.400112.8Q262 L263 L264Q262-Q266 PolarHBondContact O-N 3.43Å; L263-Q266 PolarHBondContact O-N 3.5Å; L263-Q266 VanDerWaalsContact O-N 3.15Å; L264-Q266 PolarHBondContact O-N 3.08Å
267V58.8Low56Low8 Ų857.2 Ų57.25%0.04831%0.307CS..Hα-helixtrans-85.5-38.6-175.2175.30000112.2L243 L246 L263 L264 M270 L321L243-V267 HydrophobicContact CD2-CG1 4.03Å; L246-V267 HydrophobicContact CD1-CG2 4.24Å; L246-V267 HydrophobicContact CD2-CG1 4.32Å; L263-V267 VanDerWaalsContact O-CG2 3.27Å; L263-V267 WeakPolarHBondContact O-CG2 3.28Å; L263-V267 PolarHBondContact O-N 3.44Å; L264-V267 PolarHBondContact O-N 3.27Å; V267-M270 WeakPolarHBondContact O-CB 3.26Å; V267-M270 PolarHBondContact O-N 2.92Å; V267-L321 HydrophobicContact CG1-CD1 4.19Å
268L56.7Low56.4Low3 Ų351.5 Ų51.52%0.01628%0.278CS..G310 helixtrans-73.9-26.1-174.2-80.5178.5000116.8L264 M270 E271 A273 F275 L292 F317L264-L268 HydrophobicContact CD1-CD1 3.66Å; L264-L268 HydrophobicContact CD1-CG 3.96Å; L264-L268 HydrophobicContact CD2-CD1 3.74Å; L264-L268 HydrophobicContact CG-CD1 3.47Å; L264-L268 VanDerWaalsContact CG-CD1 3.47Å; L264-L268 HydrophobicContact CG-CG 4.05Å; L264-L268 WeakPolarHBondContact O-CB 3.37Å; L264-L268 PolarHBondContact O-N 3.1Å; L268-M270 PolarHBondContact O-N 3.43Å; L268-M270 VanDerWaalsContact O-N 3.1Å; L268-E271 PolarHBondContact O-N 2.99Å; L268-E271 VanDerWaalsContact O-N 3.08Å; L268-A273 HydrophobicContact CD2-CB 4.45Å; L268-F275 HydrophobicContact CB-CD1 3.66Å; L268-F275 HydrophobicContact CB-CE1 3.47Å; L268-F275 VanDerWaalsContact CB-CE1 3.47Å; L268-F275 HydrophobicContact CB-CZ 4.34Å; L268-F275 HydrophobicContact CD1-CB 3.73Å; L268-F275 HydrophobicContact CD1-CD1 3.13Å; L268-F275 HydrophobicContact CD1-CD2 3.83Å; L268-F275 HydrophobicContact CD1-CE1 3.54Å; L268-F275 HydrophobicContact CD1-CE2 4.18Å; L268-F275 HydrophobicContact CD1-CG 3.28Å; L268-F275 HydrophobicContact CD1-CZ 4.04Å; L268-F275 HydrophobicContact CG-CD1 4Å; L268-F275 HydrophobicContact CG-CE1 4.14Å; L268-L292 HydrophobicContact CD1-CD2 3.8Å; L268-L292 HydrophobicContact CD2-CD2 4.15Å; L268-F317 HydrophobicContact CD1-CE1 4.03Å; L268-F317 HydrophobicContact CD2-CE1 3.72Å; L268-F317 HydrophobicContact CD2-CZ 4.01Å; L268-F317 HydrophobicContact CG-CE1 4.12Å
269P50.6Low56.3Low93 Ų9353.9 Ų53.960%0.60428%0.283SS*.G310 helixtrans-60.6-18169.7-21.432.2000113E265E265-P269 WeakPolarHBondContact O-CD 3.2Å; E265-P269 WeakPolarHBondContact O-CG 3.35Å
270M44.1Very low55.6Low108 Ų10857.6 Ų57.653%0.53230%0.301SS..G310 helixtrans-79.7-17.7175.9-69.1-146.355.700114.5L243 V267 L268L243-M270 HydrophobicContact CD1-CB 4.19Å; L243-M270 HydrophobicContact CD1-CE 4.04Å; L243-M270 HydrophobicContact CD1-SD 4.46Å; L243-M270 HydrophobicContact CG-CB 4.27Å; L243-M270 HydrophobicContact CG-CE 4.33Å; L243-M270 HydrophobicContact CG-SD 4.13Å; V267-M270 WeakPolarHBondContact O-CB 3.26Å; V267-M270 PolarHBondContact O-N 2.92Å; L268-M270 PolarHBondContact O-N 3.43Å; L268-M270 VanDerWaalsContact O-N 3.1Å
271E47.5Very low55.1Low59 Ų5966.4 Ų66.428%0.27633%0.333SS..THydrogen-bonded Turntrans-103.64.8-177.1-91.2-157.4163.300114.3L268 A273 R295L268-E271 PolarHBondContact O-N 2.99Å; L268-E271 VanDerWaalsContact O-N 3.08Å; E271-A273 HydrophobicContact CB-CB 4.23Å; E271-A273 PolarHBondContact O-N 2.92Å; E271-R295 VanDerWaalsContact CD-NH2 3.28Å; E271-R295 IonicContact OE1-CZ 2.73Å; E271-R295 IonicContact OE1-NH2 3.98Å; E271-R295 PolarHBondContact OE1-NH2 3.26Å; E271-R295 IonicContact OE2-CZ 2.75Å; E271-R295 IonicContact OE2-NE 3.54Å; E271-R295 PolarHBondContact OE2-NE 3.28Å; E271-R295 IonicContact OE2-NH2 3.99Å; E271-R295 PolarHBondContact OE2-NH2 2.83Å
272T45.1Very low54.6Low131 Ų13168.9 Ų68.980%0.80435%0.347SS*.THydrogen-bonded Turntrans51.916.3-172.542.20000113.9P274T272-P274 VanDerWaalsContact O-CD 3.28Å; T272-P274 WeakPolarHBondContact O-CD 3.32Å
273A46.1Very low54Low9 Ų967.6 Ų67.67%0.07436%0.364CS..  trans-95.2109.3-173.900000109.6L268 E271 F275 D294L268-A273 HydrophobicContact CD2-CB 4.45Å; E271-A273 HydrophobicContact CB-CB 4.23Å; E271-A273 PolarHBondContact O-N 2.92Å; A273-F275 PolarHBondContact O-N 3Å; A273-D294 WeakPolarHBondContact CA-OD2 3.5Å; A273-D294 HydrophobicContact CB-CB 4.38Å
274P52.3Low54Low66 Ų6674.7 Ų74.743%0.42940%0.403SS..  trans-64.8139173.523.4-23.8000108.5T272 F293 D294T272-P274 VanDerWaalsContact O-CD 3.28Å; T272-P274 WeakPolarHBondContact O-CD 3.32Å; P274-F293 VanDerWaalsContact C-CD2 3.48Å; P274-F293 HydrophobicContact CB-CD2 3.87Å; P274-F293 HydrophobicContact CG-CB 4.08Å; P274-F293 HydrophobicContact CG-CD2 4.19Å; P274-F293 WeakPolarHBondContact O-CD2 3.31Å; P274-F293 PolarHBondContact O-N 3.16Å; P274-D294 WeakPolarHBondContact CD-OD2 3.41Å
275F56.1Low54Low55 Ų5575.6 Ų75.624%0.24141%0.412CS..EExtended strand (participates in β ladder)trans-133.8156.9176.569.2-82000110.4L264 E265 L268 A273 F277 L290 A291 L292L264-F275 HydrophobicContact CD2-CD2 3.97Å; L264-F275 HydrophobicContact CD2-CE2 3.93Å; L264-F275 HydrophobicContact CG-CE2 4.45Å; E265-F275 HydrophobicContact CG-CE2 4.41Å; E265-F275 HydrophobicContact CG-CZ 3.9Å; L268-F275 HydrophobicContact CB-CD1 3.66Å; L268-F275 HydrophobicContact CB-CE1 3.47Å; L268-F275 VanDerWaalsContact CB-CE1 3.47Å; L268-F275 HydrophobicContact CB-CZ 4.34Å; L268-F275 HydrophobicContact CD1-CB 3.73Å; L268-F275 HydrophobicContact CD1-CD1 3.13Å; L268-F275 HydrophobicContact CD1-CD2 3.83Å; L268-F275 HydrophobicContact CD1-CE1 3.54Å; L268-F275 HydrophobicContact CD1-CE2 4.18Å; L268-F275 HydrophobicContact CD1-CG 3.28Å; L268-F275 HydrophobicContact CD1-CZ 4.04Å; L268-F275 HydrophobicContact CG-CD1 4Å; L268-F275 HydrophobicContact CG-CE1 4.14Å; A273-F275 PolarHBondContact O-N 3Å; F275-F277 HydrophobicContact CD2-CD2 4.33Å; F275-F277 HydrophobicContact CD2-CE2 4.16Å; F275-F277 HydrophobicContact CE2-CD2 4.2Å; F275-F277 AromaticContact CE2-CE2 3.85Å; F275-F277 HydrophobicContact CE2-CE2 3.85Å; F275-L290 HydrophobicContact CB-CD1 4.12Å; F275-L290 HydrophobicContact CD2-CD1 3.79Å; F275-L290 HydrophobicContact CG-CD1 4.38Å; F275-A291 CarbonylContact C-O 3.56Å; F275-A291 WeakPolarHBondContact CA-O 3.47Å; F275-L292 HydrophobicContact CB-CD2 3.82Å
276A49.5Very low54.2Low23 Ų2371 Ų7119%0.1939%0.391CS..EExtended strand (participates in β ladder)trans-141138.9174.200000110.5Y278 A291 F293A276-Y278 HydrophobicContact CB-CD2 4.43Å; A276-Y278 HydrophobicContact CB-CE2 3.74Å; A276-A291 PolarHBondContact N-O 3.4Å; A276-A291 PolarHBondContact O-N 2.74Å; A276-F293 HydrophobicContact CB-CE2 3.7Å; A276-F293 HydrophobicContact CB-CZ 3.63Å
277F57.4Low54.3Low42 Ų4268 Ų6818%0.18438%0.379CS..EExtended strand (participates in β ladder)trans-92.5123164.5-72.6-82.5000109.9A261 L264 F275 E289 L290 M310 A313 A314A261-F277 HydrophobicContact CB-CE2 4.27Å; A261-F277 HydrophobicContact CB-CZ 4.07Å; L264-F277 HydrophobicContact CD2-CE2 3.75Å; L264-F277 HydrophobicContact CD2-CZ 3.48Å; L264-F277 VanDerWaalsContact CD2-CZ 3.48Å; F275-F277 HydrophobicContact CD2-CD2 4.33Å; F275-F277 HydrophobicContact CD2-CE2 4.16Å; F275-F277 HydrophobicContact CE2-CD2 4.2Å; F275-F277 AromaticContact CE2-CE2 3.85Å; F275-F277 HydrophobicContact CE2-CE2 3.85Å; F277-E289 CarbonylContact C-O 3.58Å; F277-E289 VanDerWaalsContact CA-O 3.3Å; F277-E289 WeakPolarHBondContact CA-O 3.14Å; F277-L290 HydrophobicContact CD1-CB 3.97Å; F277-L290 HydrophobicContact CD1-CD1 4.23Å; F277-L290 HydrophobicContact CD2-CD1 4.41Å; F277-L290 HydrophobicContact CE1-CB 3.75Å; F277-L290 HydrophobicContact CE1-CD1 3.93Å; F277-L290 HydrophobicContact CE1-CD2 4.38Å; F277-L290 HydrophobicContact CE1-CG 4.23Å; F277-L290 HydrophobicContact CE2-CD1 4.13Å; F277-L290 HydrophobicContact CG-CD1 4.47Å; F277-L290 HydrophobicContact CZ-CB 4.48Å; F277-L290 HydrophobicContact CZ-CD1 3.88Å; F277-L290 HydrophobicContact CZ-CD2 4.44Å; F277-L290 HydrophobicContact CZ-CG 4.5Å; F277-M310 HydrophobicContact CB-CE 3.82Å; F277-M310 HydrophobicContact CB-CG 4.47Å; F277-M310 HydrophobicContact CD1-CB 4.13Å; F277-M310 HydrophobicContact CD1-CE 4.1Å; F277-M310 HydrophobicContact CD1-CG 3.96Å; F277-M310 HydrophobicContact CD2-CE 3.61Å; F277-M310 HydrophobicContact CE1-CB 4.09Å; F277-M310 HydrophobicContact CE1-CG 4.42Å; F277-M310 WeakPolarHBondContact CE1-O 3.49Å; F277-M310 HydrophobicContact CE2-CE 4.09Å; F277-M310 HydrophobicContact CG-CE 3.6Å; F277-M310 HydrophobicContact CG-CG 4.3Å; F277-A313 HydrophobicContact CE1-CB 4.23Å; F277-A314 HydrophobicContact CE1-CB 4.36Å; F277-A314 HydrophobicContact CZ-CB 4.03Å
278Y55.7Low54.2Low64 Ų6467.7 Ų67.725%0.25138%0.377SS..EExtended strand (participates in β ladder)trans-103.1155164.4-58.9-81000108.8A276 A288 E289 A291A276-Y278 HydrophobicContact CB-CD2 4.43Å; A276-Y278 HydrophobicContact CB-CE2 3.74Å; Y278-A288 CarbonylContact O-C 3.54Å; Y278-A288 VanDerWaalsContact O-CA 3.26Å; Y278-A288 WeakPolarHBondContact O-CA 3.36Å; Y278-E289 PolarHBondContact N-O 3.33Å; Y278-E289 PolarHBondContact O-N 3.28Å; Y278-A291 HydrophobicContact CD2-CB 4.37Å; Y278-A291 HydrophobicContact CE2-CB 4.08Å
279H56.4Low54.2Low101 Ų10168.6 Ų68.647%0.46838%0.381SS..EExtended strand (participates in β ladder)trans-144.3148.5174.366.8-81.6000111.8V286 V287 L306H279-V286 HydrophobicContact CB-CG1 4.25Å; H279-V287 CarbonylContact C-O 3.56Å; H279-V287 WeakPolarHBondContact CA-O 3.27Å; H279-L306 HydrophobicContact CB-CD1 3.27Å
280L49.5Very low54.9Low96 Ų9664.1 Ų64.150%0.50335%0.352SS..EExtended strand (participates in β ladder)trans-127.2123.1174.9-171.574.3000108T282 V287L280-T282 HydrophobicContact CD2-CG2 4.08Å; L280-T282 HydrophobicContact CG-CG2 4.45Å; L280-T282 PolarHBondContact O-N 3.31Å; L280-V287 PolarHBondContact N-O 2.99Å; L280-V287 PolarHBondContact O-N 3.31Å
281R53.7Low55.4Low195 Ų19559.1 Ų59.174%0.73633%0.328SS*.EExtended strand (participates in β ladder)trans-81.1114.1168.3-67.6-171.5-178.8174.10.7108.6V286R281-V286 HydrophobicContact CG-CG1 4.44Å; R281-V286 HydrophobicContact CG-CG2 4.2Å
282T50.5Low55.9Low59 Ų5956.5 Ų56.536%0.36232%0.316SS..EExtended strand (participates in β ladder)trans-96.9156.8169.247.30000109.4L280 D284 G285 V287L280-T282 HydrophobicContact CD2-CG2 4.08Å; L280-T282 HydrophobicContact CG-CG2 4.45Å; L280-T282 PolarHBondContact O-N 3.31Å; T282-D284 PolarHBondContact O-N 2.81Å; T282-G285 CarbonylContact C-O 3.56Å; T282-G285 WeakPolarHBondContact CA-O 3.5Å; T282-G285 PolarHBondContact N-O 3.43Å; T282-G285 PolarHBondContact O-N 3.11Å; T282-G285 VanDerWaalsContact O-N 3.11Å; T282-G285 PolarHBondContact OG1-O 2.72Å; T282-V287 HydrophobicContact CG2-CG2 4.32Å
283G51.9Low56Low86 Ų8652.1 Ų52.189%0.88729%0.286SS*.THydrogen-bonded Turntrans-54.6-27.8-177.300000114.2
284D64.3Low56.1Low173 Ų17356.4 Ų56.493%0.92531%0.308SS*.THydrogen-bonded Turntrans-106.713.2-176.3-55.6-40.1000113.8T282T282-D284 PolarHBondContact O-N 2.81Å
285G67Low56.1Low19 Ų1956.5 Ų56.520%0.19630%0.299CS..EExtended strand (participates in β ladder)trans150.7-173.7178.500000114.3T282T282-G285 CarbonylContact C-O 3.56Å; T282-G285 WeakPolarHBondContact CA-O 3.5Å; T282-G285 PolarHBondContact N-O 3.43Å; T282-G285 PolarHBondContact O-N 3.11Å; T282-G285 VanDerWaalsContact O-N 3.11Å; T282-G285 PolarHBondContact OG1-O 2.72Å
286V65.4Low55.9Low11 Ų1161.9 Ų61.97%0.06732%0.322CS..EExtended strand (participates in β ladder)trans-106.7132.7176.3-167.40000109.7H279 R281 G303 L306 A309H279-V286 HydrophobicContact CB-CG1 4.25Å; R281-V286 HydrophobicContact CG-CG1 4.44Å; R281-V286 HydrophobicContact CG-CG2 4.2Å; V286-G303 WeakPolarHBondContact CA-O 3.33Å; V286-G303 PolarHBondContact N-O 2.91Å; V286-G303 PolarHBondContact O-N 3.48Å; V286-L306 HydrophobicContact CG1-CB 4.22Å; V286-L306 HydrophobicContact CG1-CD1 3.91Å; V286-A309 HydrophobicContact CB-CB 4.09Å; V286-A309 HydrophobicContact CG1-CB 4.19Å; V286-A309 WeakPolarHBondContact O-CB 3.46Å
287V60.9Low56Low27 Ų2763.3 Ų63.316%0.16433%0.325CS..EExtended strand (participates in β ladder)trans-104.3125.2168.8-174.70000107H279 L280 T282 G301 R302H279-V287 CarbonylContact C-O 3.56Å; H279-V287 WeakPolarHBondContact CA-O 3.27Å; L280-V287 PolarHBondContact N-O 2.99Å; L280-V287 PolarHBondContact O-N 3.31Å; T282-V287 HydrophobicContact CG2-CG2 4.32Å; V287-G301 CarbonylContact C-O 3.5Å; V287-G301 VanDerWaalsContact CA-O 3.3Å; V287-G301 WeakPolarHBondContact CA-O 3.35Å; V287-R302 HydrophobicContact CG1-CG 4.49Å; V287-R302 HydrophobicContact CG2-CG 4.24Å
288A58.6Low56Low1 Ų163.6 Ų63.61%0.00833%0.33CS..EExtended strand (participates in β ladder)trans-105.2152.8168.700000109.7Y278 F300 G301 A309 M310 A313Y278-A288 CarbonylContact O-C 3.54Å; Y278-A288 VanDerWaalsContact O-CA 3.26Å; Y278-A288 WeakPolarHBondContact O-CA 3.36Å; A288-F300 CarbonylContact O-C 3.56Å; A288-F300 WeakPolarHBondContact O-CA 3.41Å; A288-G301 PolarHBondContact N-O 3.23Å; A288-G301 PolarHBondContact O-N 3.4Å; A288-A309 HydrophobicContact CB-CB 3.71Å; A288-A309 WeakPolarHBondContact CB-O 3.5Å; A288-M310 HydrophobicContact CB-CB 4.29Å; A288-M310 HydrophobicContact CB-CG 3.74Å; A288-A313 HydrophobicContact CB-CB 4.47Å
289E56.6Low56.1Low22 Ų2262 Ų6210%0.10332%0.324CS..EExtended strand (participates in β ladder)trans-132.9112.8-178.9174-175.5163.400106.8F277 Y278 V298 Y299 F300F277-E289 CarbonylContact C-O 3.58Å; F277-E289 VanDerWaalsContact CA-O 3.3Å; F277-E289 WeakPolarHBondContact CA-O 3.14Å; Y278-E289 PolarHBondContact N-O 3.33Å; Y278-E289 PolarHBondContact O-N 3.28Å; E289-V298 HydrophobicContact CG-CG1 3.39Å; E289-Y299 CarbonylContact C-O 3.58Å; E289-Y299 WeakPolarHBondContact CA-O 3.28Å; E289-F300 HydrophobicContact CB-CD1 3.94Å; E289-F300 HydrophobicContact CB-CE1 3.92Å; E289-F300 HydrophobicContact CG-CD1 4.01Å; E289-F300 HydrophobicContact CG-CE1 3.59Å; E289-F300 HydrophobicContact CG-CZ 4.19Å
290L64.9Low56.1Low0 Ų061 Ų610%032%0.318CS..EExtended strand (participates in β ladder)trans-90.6113.4171170.762.2000108.3L264 F275 F277 V298 Y299 A313 F317L264-L290 HydrophobicContact CD2-CD1 3.57Å; L264-L290 HydrophobicContact CD2-CD2 3.54Å; L264-L290 HydrophobicContact CD2-CG 4.21Å; F275-L290 HydrophobicContact CB-CD1 4.12Å; F275-L290 HydrophobicContact CD2-CD1 3.79Å; F275-L290 HydrophobicContact CG-CD1 4.38Å; F277-L290 HydrophobicContact CD1-CB 3.97Å; F277-L290 HydrophobicContact CD1-CD1 4.23Å; F277-L290 HydrophobicContact CD2-CD1 4.41Å; F277-L290 HydrophobicContact CE1-CB 3.75Å; F277-L290 HydrophobicContact CE1-CD1 3.93Å; F277-L290 HydrophobicContact CE1-CD2 4.38Å; F277-L290 HydrophobicContact CE1-CG 4.23Å; F277-L290 HydrophobicContact CE2-CD1 4.13Å; F277-L290 HydrophobicContact CG-CD1 4.47Å; F277-L290 HydrophobicContact CZ-CB 4.48Å; F277-L290 HydrophobicContact CZ-CD1 3.88Å; F277-L290 HydrophobicContact CZ-CD2 4.44Å; F277-L290 HydrophobicContact CZ-CG 4.5Å; L290-V298 CarbonylContact O-C 3.49Å; L290-V298 WeakPolarHBondContact O-CA 3.03Å; L290-Y299 PolarHBondContact N-O 2.93Å; L290-Y299 PolarHBondContact O-N 2.87Å; L290-A313 HydrophobicContact CB-CB 3.93Å; L290-F317 HydrophobicContact CD2-CB 3.61Å; L290-F317 HydrophobicContact CD2-CD1 3.91Å; L290-F317 HydrophobicContact CD2-CG 4.05Å
291A54.8Low56.5Low3 Ų356.4 Ų56.43%0.02529%0.294CS..EExtended strand (participates in β ladder)trans-103.7127.3174.400000110.1F275 A276 Y278 V298F275-A291 CarbonylContact C-O 3.56Å; F275-A291 WeakPolarHBondContact CA-O 3.47Å; A276-A291 PolarHBondContact N-O 3.4Å; A276-A291 PolarHBondContact O-N 2.74Å; Y278-A291 HydrophobicContact CD2-CB 4.37Å; Y278-A291 HydrophobicContact CE2-CB 4.08Å; A291-V298 HydrophobicContact CB-CG2 4.46Å
292L56.8Low57Low4 Ų455.8 Ų55.82%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-107.1109.2175.7-60.1156.5000108.1L268 F275 D294 R295 K296 E297 Y299 F317L268-L292 HydrophobicContact CD1-CD2 3.8Å; L268-L292 HydrophobicContact CD2-CD2 4.15Å; F275-L292 HydrophobicContact CB-CD2 3.82Å; L292-D294 PolarHBondContact O-N 2.85Å; L292-R295 HydrophobicContact CB-CB 4.33Å; L292-K296 PolarHBondContact O-N 2.96Å; L292-K296 VanDerWaalsContact O-N 3.16Å; L292-E297 HydrophobicContact CD1-CB 4.1Å; L292-E297 PolarHBondContact N-O 3.38Å; L292-Y299 HydrophobicContact CD1-CD2 3.91Å; L292-Y299 HydrophobicContact CD1-CE2 3.56Å; L292-F317 HydrophobicContact CD1-CD1 4.03Å; L292-F317 HydrophobicContact CD1-CD2 3.24Å; L292-F317 HydrophobicContact CD1-CE1 3.91Å; L292-F317 HydrophobicContact CD1-CE2 3.07Å; L292-F317 HydrophobicContact CD1-CG 3.7Å; L292-F317 HydrophobicContact CD1-CZ 3.42Å; L292-F317 VanDerWaalsContact CD1-CZ 3.42Å; L292-F317 HydrophobicContact CD2-CD1 4.1Å; L292-F317 HydrophobicContact CD2-CE1 3.6Å; L292-F317 HydrophobicContact CD2-CE2 4.22Å; L292-F317 HydrophobicContact CD2-CZ 3.64Å; L292-F317 HydrophobicContact CG-CD2 4.5Å; L292-F317 HydrophobicContact CG-CE1 4.39Å; L292-F317 HydrophobicContact CG-CE2 4.25Å; L292-F317 HydrophobicContact CG-CZ 4.17Å
293F47.2Very low57.9Low39 Ų3953.7 Ų53.717%0.17128%0.282CS..THydrogen-bonded Turntrans-69.2-34.2-165.2-66.3-67.4000112.9P274 A276P274-F293 VanDerWaalsContact C-CD2 3.48Å; P274-F293 HydrophobicContact CB-CD2 3.87Å; P274-F293 HydrophobicContact CG-CB 4.08Å; P274-F293 HydrophobicContact CG-CD2 4.19Å; P274-F293 WeakPolarHBondContact O-CD2 3.31Å; P274-F293 PolarHBondContact O-N 3.16Å; A276-F293 HydrophobicContact CB-CE2 3.7Å; A276-F293 HydrophobicContact CB-CZ 3.63Å
294D49.6Very low59Low99 Ų9956.8 Ų56.853%0.52927%0.274SS..THydrogen-bonded Turntrans-80.4-36-177.5-69.5-5.2000112.9A273 P274 L292 K296A273-D294 WeakPolarHBondContact CA-OD2 3.5Å; A273-D294 HydrophobicContact CB-CB 4.38Å; P274-D294 WeakPolarHBondContact CD-OD2 3.41Å; L292-D294 PolarHBondContact O-N 2.85Å; D294-K296 VanDerWaalsContact C-N 3.32Å
295R51.6Low59.6Low68 Ų6851.7 Ų51.726%0.25725%0.249SC..THydrogen-bonded Turntrans-82.3-10.9179.6-64.5-172.1175.1-142.30.3113.3E271 L292 E297E271-R295 VanDerWaalsContact CD-NH2 3.28Å; E271-R295 IonicContact OE1-CZ 2.73Å; E271-R295 IonicContact OE1-NH2 3.98Å; E271-R295 PolarHBondContact OE1-NH2 3.26Å; E271-R295 IonicContact OE2-CZ 2.75Å; E271-R295 IonicContact OE2-NE 3.54Å; E271-R295 PolarHBondContact OE2-NE 3.28Å; E271-R295 IonicContact OE2-NH2 3.99Å; E271-R295 PolarHBondContact OE2-NH2 2.83Å; L292-R295 HydrophobicContact CB-CB 4.33Å; R295-E297 HydrophobicContact CB-CB 4.11Å; R295-E297 HydrophobicContact CB-CG 3.92Å; R295-E297 PolarHBondContact O-N 2.9Å
296K51.4Low59.8Low167 Ų16753.2 Ų53.273%0.72625%0.252SS*.THydrogen-bonded Turntrans53.329.6-170.3-55.8-176.9-179.7-174.10112.3L292 D294L292-K296 PolarHBondContact O-N 2.96Å; L292-K296 VanDerWaalsContact O-N 3.16Å; D294-K296 VanDerWaalsContact C-N 3.32Å
297E52.7Low60.3Low54 Ų5456.8 Ų56.825%0.25227%0.274SS..EExtended strand (participates in β ladder)trans-103.8144.1-178.6-74.1175-16500109.9L292 R295 Y299L292-E297 HydrophobicContact CD1-CB 4.1Å; L292-E297 PolarHBondContact N-O 3.38Å; R295-E297 HydrophobicContact CB-CB 4.11Å; R295-E297 HydrophobicContact CB-CG 3.92Å; R295-E297 PolarHBondContact O-N 2.9Å; E297-Y299 HydrophobicContact CB-CE2 3.75Å; E297-Y299 WeakPolarHBondContact OE2-CE2 3.38Å; E297-Y299 PolarHBondContact OE2-OH 2.64Å
298V56.1Low61.1Low48 Ų4860.6 Ų60.629%0.29129%0.288SS..EExtended strand (participates in β ladder)trans-132.9128.7177.5-176.80000109E289 L290 A291 F300E289-V298 HydrophobicContact CG-CG1 3.39Å; L290-V298 CarbonylContact O-C 3.49Å; L290-V298 WeakPolarHBondContact O-CA 3.03Å; A291-V298 HydrophobicContact CB-CG2 4.46Å; V298-F300 HydrophobicContact CB-CE2 4.39Å; V298-F300 HydrophobicContact CG1-CD2 4.35Å; V298-F300 HydrophobicContact CG1-CE1 4.16Å; V298-F300 HydrophobicContact CG1-CE2 3.72Å; V298-F300 HydrophobicContact CG1-CZ 3.61Å
299Y59.2Low61.6Low31 Ų3160.5 Ų60.512%0.12229%0.288CS..EExtended strand (participates in β ladder)trans-116125.1178.6-63.8-90.9000109.3E289 L290 L292 E297 A313 K316 F317 V320E289-Y299 CarbonylContact C-O 3.58Å; E289-Y299 WeakPolarHBondContact CA-O 3.28Å; L290-Y299 PolarHBondContact N-O 2.93Å; L290-Y299 PolarHBondContact O-N 2.87Å; L292-Y299 HydrophobicContact CD1-CD2 3.91Å; L292-Y299 HydrophobicContact CD1-CE2 3.56Å; E297-Y299 HydrophobicContact CB-CE2 3.75Å; E297-Y299 WeakPolarHBondContact OE2-CE2 3.38Å; E297-Y299 PolarHBondContact OE2-OH 2.64Å; Y299-A313 WeakPolarHBondContact CB-O 3.43Å; Y299-K316 HydrophobicContact CD1-CB 3.7Å; Y299-K316 HydrophobicContact CG-CB 4.44Å; Y299-F317 HydrophobicContact CD1-CB 4.12Å; Y299-F317 HydrophobicContact CD2-CB 3.58Å; Y299-F317 HydrophobicContact CD2-CD2 4.02Å; Y299-F317 HydrophobicContact CD2-CG 4.05Å; Y299-F317 HydrophobicContact CE1-CB 4.24Å; Y299-F317 HydrophobicContact CE2-CB 3.74Å; Y299-F317 AromaticContact CE2-CD2 3.34Å; Y299-F317 HydrophobicContact CE2-CD2 3.34Å; Y299-F317 HydrophobicContact CE2-CE2 4.28Å; Y299-F317 AromaticContact CE2-CG 3.85Å; Y299-F317 HydrophobicContact CE2-CG 3.85Å; Y299-F317 HydrophobicContact CG-CB 3.77Å; Y299-F317 AromaticContact CZ-CD2 3.69Å; Y299-V320 HydrophobicContact CE1-CB 4.36Å; Y299-V320 HydrophobicContact CE1-CG2 3.75Å; Y299-V320 WeakPolarHBondContact OH-CB 3.03Å; Y299-V320 WeakPolarHBondContact OH-CG1 3.45Å; Y299-V320 WeakPolarHBondContact OH-CG2 3.44Å
300F56.6Low62.5Low78 Ų7861.4 Ų61.434%0.34229%0.292SS..EExtended strand (participates in β ladder)trans-99.6134.1178.6-64.7-82.6000109.8A288 E289 V298 K316A288-F300 CarbonylContact O-C 3.56Å; A288-F300 WeakPolarHBondContact O-CA 3.41Å; E289-F300 HydrophobicContact CB-CD1 3.94Å; E289-F300 HydrophobicContact CB-CE1 3.92Å; E289-F300 HydrophobicContact CG-CD1 4.01Å; E289-F300 HydrophobicContact CG-CE1 3.59Å; E289-F300 HydrophobicContact CG-CZ 4.19Å; V298-F300 HydrophobicContact CB-CE2 4.39Å; V298-F300 HydrophobicContact CG1-CD2 4.35Å; V298-F300 HydrophobicContact CG1-CE1 4.16Å; V298-F300 HydrophobicContact CG1-CE2 3.72Å; V298-F300 HydrophobicContact CG1-CZ 3.61Å; F300-K316 VanDerWaalsContact O-CD 3.24Å; F300-K316 WeakPolarHBondContact O-CD 3.47Å; F300-K316 PolarHBondContact O-NZ 2.92Å
301G56.6Low63Low0 Ų062.9 Ų62.90%030%0.3CS..EExtended strand (participates in β ladder)trans-119.2146.6173.200000111.8V287 A288 A309 D312V287-G301 CarbonylContact C-O 3.5Å; V287-G301 VanDerWaalsContact CA-O 3.3Å; V287-G301 WeakPolarHBondContact CA-O 3.35Å; A288-G301 PolarHBondContact N-O 3.23Å; A288-G301 PolarHBondContact O-N 3.4Å; G301-A309 CarbonylContact C-O 3.59Å; G301-A309 VanDerWaalsContact CA-O 3.24Å; G301-A309 WeakPolarHBondContact CA-O 3.43Å; G301-D312 WeakPolarHBondContact CA-OD2 3.35Å
302R65.2Low64Low183 Ų18365.1 Ų65.169%0.69131%0.312SS*.EExtended strand (participates in β ladder)trans-122.6139.8174.3-69.2-171.7175.2-179.2-2.4109.7V287 D312V287-R302 HydrophobicContact CG1-CG 4.49Å; V287-R302 HydrophobicContact CG2-CG 4.24Å; R302-D312 PolarHBondContact N-OD2 3.27Å
303G67.8Low64.5Low15 Ų1564.9 Ų64.916%0.15531%0.311CS..EExtended strand (participates in β ladder)trans-159.5158.1176.700000111.7V286 T305V286-G303 WeakPolarHBondContact CA-O 3.33Å; V286-G303 PolarHBondContact N-O 2.91Å; V286-G303 PolarHBondContact O-N 3.48Å; G303-T305 PolarHBondContact O-N 3.37Å
304E75.1Confident65.8Low150 Ų15063 Ų6370%0.70130%0.303SS*.SBendtrans-63.7-28.3172.8-62.1165.8162.700111.4K308E304-K308 HydrophobicContact CB-CD 4.49Å; E304-K308 IonicContact OE2-NZ 2.73Å; E304-K308 PolarHBondContact OE2-NZ 3.23Å
305T78.1Confident67Low67 Ų6760.2 Ų60.241%0.41129%0.287SS..SBendtrans-121.3158.6177.4660000110.2G303 V307 K308 A309G303-T305 PolarHBondContact O-N 3.37Å; T305-V307 PolarHBondContact O-N 2.88Å; T305-K308 PolarHBondContact O-N 3.38Å; T305-K308 WeakPolarHBondContact OG1-CG 3.31Å; T305-K308 PolarHBondContact OG1-N 3.42Å; T305-A309 WeakPolarHBondContact O-CB 3.44Å; T305-A309 PolarHBondContact O-N 3.16Å
306L71.5Confident67.9Low51 Ų5160.8 Ų60.827%0.26729%0.292SS..Hα-helixtrans-54.6-42.6175.5175.560.6000111.8H279 V286 A309 M310H279-L306 HydrophobicContact CB-CD1 3.27Å; V286-L306 HydrophobicContact CG1-CB 4.22Å; V286-L306 HydrophobicContact CG1-CD1 3.91Å; L306-A309 PolarHBondContact O-N 3.4Å; L306-M310 HydrophobicContact CD1-CG 4.05Å; L306-M310 HydrophobicContact CD1-SD 3.93Å; L306-M310 HydrophobicContact CD2-SD 4.41Å; L306-M310 HydrophobicContact CG-CG 4.4Å; L306-M310 HydrophobicContact CG-SD 3.83Å; L306-M310 WeakPolarHBondContact O-CB 3.49Å; L306-M310 VanDerWaalsContact O-CG 3.31Å; L306-M310 WeakPolarHBondContact O-CG 3.48Å; L306-M310 PolarHBondContact O-N 3.22Å
307V74.7Confident69Low85 Ų8552.9 Ų52.952%0.51526%0.257SS..Hα-helixtrans-62-50.4180-176.80000110.7T305 A309 M310 D311T305-V307 PolarHBondContact O-N 2.88Å; V307-A309 VanDerWaalsContact C-N 3.26Å; V307-A309 PolarHBondContact O-N 3.35Å; V307-M310 PolarHBondContact O-N 3.26Å; V307-M310 VanDerWaalsContact O-N 3.16Å; V307-D311 WeakPolarHBondContact O-CB 3.44Å; V307-D311 VanDerWaalsContact O-CG 3.31Å; V307-D311 PolarHBondContact O-N 3Å
308K77.5Confident69.9Low107 Ų10750.3 Ų50.347%0.46525%0.245SC..Hα-helixtrans-58.7-39.2176.4-74.4-176179.9-175.60112.1E304 T305 D312E304-K308 HydrophobicContact CB-CD 4.49Å; E304-K308 IonicContact OE2-NZ 2.73Å; E304-K308 PolarHBondContact OE2-NZ 3.23Å; T305-K308 PolarHBondContact O-N 3.38Å; T305-K308 WeakPolarHBondContact OG1-CG 3.31Å; T305-K308 PolarHBondContact OG1-N 3.42Å; K308-D312 WeakPolarHBondContact O-CB 3.3Å; K308-D312 PolarHBondContact O-N 2.86Å
309A70.5Confident70.5Confident0 Ų053.5 Ų53.50%025%0.252CS..Hα-helixtrans-67.5-43.6178.400000111.4V286 A288 G301 T305 L306 V307 D311 D312 A313V286-A309 HydrophobicContact CB-CB 4.09Å; V286-A309 HydrophobicContact CG1-CB 4.19Å; V286-A309 WeakPolarHBondContact O-CB 3.46Å; A288-A309 HydrophobicContact CB-CB 3.71Å; A288-A309 WeakPolarHBondContact CB-O 3.5Å; G301-A309 CarbonylContact C-O 3.59Å; G301-A309 VanDerWaalsContact CA-O 3.24Å; G301-A309 WeakPolarHBondContact CA-O 3.43Å; T305-A309 WeakPolarHBondContact O-CB 3.44Å; T305-A309 PolarHBondContact O-N 3.16Å; L306-A309 PolarHBondContact O-N 3.4Å; V307-A309 VanDerWaalsContact C-N 3.26Å; V307-A309 PolarHBondContact O-N 3.35Å; A309-D311 VanDerWaalsContact C-N 3.35Å; A309-D312 PolarHBondContact O-N 2.9Å; A309-A313 PolarHBondContact O-N 2.94Å; A309-A313 VanDerWaalsContact O-N 3.08Å
310M74.1Confident71Confident40 Ų4053.6 Ų53.620%0.19726%0.256CS..Hα-helixtrans-64.2-41.2175.8-72173.866.600111.3A261 F277 A288 L306 V307 A313 A314A261-M310 HydrophobicContact CB-CB 4.22Å; A261-M310 HydrophobicContact CB-CE 4.26Å; F277-M310 HydrophobicContact CB-CE 3.82Å; F277-M310 HydrophobicContact CB-CG 4.47Å; F277-M310 HydrophobicContact CD1-CB 4.13Å; F277-M310 HydrophobicContact CD1-CE 4.1Å; F277-M310 HydrophobicContact CD1-CG 3.96Å; F277-M310 HydrophobicContact CD2-CE 3.61Å; F277-M310 HydrophobicContact CE1-CB 4.09Å; F277-M310 HydrophobicContact CE1-CG 4.42Å; F277-M310 WeakPolarHBondContact CE1-O 3.49Å; F277-M310 HydrophobicContact CE2-CE 4.09Å; F277-M310 HydrophobicContact CG-CE 3.6Å; F277-M310 HydrophobicContact CG-CG 4.3Å; A288-M310 HydrophobicContact CB-CB 4.29Å; A288-M310 HydrophobicContact CB-CG 3.74Å; L306-M310 HydrophobicContact CD1-CG 4.05Å; L306-M310 HydrophobicContact CD1-SD 3.93Å; L306-M310 HydrophobicContact CD2-SD 4.41Å; L306-M310 HydrophobicContact CG-CG 4.4Å; L306-M310 HydrophobicContact CG-SD 3.83Å; L306-M310 WeakPolarHBondContact O-CB 3.49Å; L306-M310 VanDerWaalsContact O-CG 3.31Å; L306-M310 WeakPolarHBondContact O-CG 3.48Å; L306-M310 PolarHBondContact O-N 3.22Å; V307-M310 PolarHBondContact O-N 3.26Å; V307-M310 VanDerWaalsContact O-N 3.16Å; M310-A313 WeakPolarHBondContact O-CB 3.36Å; M310-A313 PolarHBondContact O-N 3.41Å; M310-A314 WeakPolarHBondContact O-CB 3.37Å; M310-A314 PolarHBondContact O-N 3.03Å
311D76.6Confident71.5Confident32 Ų3250 Ų5017%0.17124%0.24CC..Hα-helixtrans-63.5-42.9176.8-72.1-24.1000111.7S259 C260 A261 V307 A309 A313 A314 L315S259-D311 WeakPolarHBondContact CA-OD1 3.46Å; S259-D311 WeakPolarHBondContact CB-OD1 3.48Å; S259-D311 PolarHBondContact OG-OD1 3.11Å; C260-D311 HydrophobicContact CB-CB 4.12Å; C260-D311 PolarHBondContact N-OD1 3.5Å; A261-D311 PolarHBondContact N-OD1 3.02Å; V307-D311 WeakPolarHBondContact O-CB 3.44Å; V307-D311 VanDerWaalsContact O-CG 3.31Å; V307-D311 PolarHBondContact O-N 3Å; A309-D311 VanDerWaalsContact C-N 3.35Å; D311-A313 VanDerWaalsContact C-N 3.3Å; D311-A313 PolarHBondContact O-N 2.97Å; D311-A314 PolarHBondContact O-N 3.15Å; D311-L315 WeakPolarHBondContact O-CB 3.39Å; D311-L315 PolarHBondContact O-N 3.49Å
312D74.1Confident72.2Confident49 Ų4952.3 Ų52.326%0.26225%0.25SC..Hα-helixtrans-63.2-35.6175.2-17647.9000112.1G301 R302 K308 A309 K316G301-D312 WeakPolarHBondContact CA-OD2 3.35Å; R302-D312 PolarHBondContact N-OD2 3.27Å; K308-D312 WeakPolarHBondContact O-CB 3.3Å; K308-D312 PolarHBondContact O-N 2.86Å; A309-D312 PolarHBondContact O-N 2.9Å; D312-K316 WeakPolarHBondContact O-CD 3.42Å; D312-K316 VanDerWaalsContact O-CG 3.3Å; D312-K316 WeakPolarHBondContact O-CG 3.49Å; D312-K316 PolarHBondContact O-N 3.25Å; D312-K316 VanDerWaalsContact OD1-CE 3.31Å; D312-K316 WeakPolarHBondContact OD1-CE 3.24Å; D312-K316 IonicContact OD1-NZ 2.75Å; D312-K316 PolarHBondContact OD1-NZ 3.35Å; D312-K316 IonicContact OD2-NZ 3.32Å; D312-K316 PolarHBondContact OD2-NZ 3.18Å
313A68.8Low72.4Confident0 Ų049.8 Ų49.80%025%0.246CC..Hα-helixtrans-69.3-46.517500000111.3F277 A288 L290 Y299 A309 M310 D311 K316 F317F277-A313 HydrophobicContact CE1-CB 4.23Å; A288-A313 HydrophobicContact CB-CB 4.47Å; L290-A313 HydrophobicContact CB-CB 3.93Å; Y299-A313 WeakPolarHBondContact CB-O 3.43Å; A309-A313 PolarHBondContact O-N 2.94Å; A309-A313 VanDerWaalsContact O-N 3.08Å; M310-A313 WeakPolarHBondContact O-CB 3.36Å; M310-A313 PolarHBondContact O-N 3.41Å; D311-A313 VanDerWaalsContact C-N 3.3Å; D311-A313 PolarHBondContact O-N 2.97Å; A313-K316 PolarHBondContact O-N 2.99Å; A313-F317 PolarHBondContact O-N 3.45Å
314A74.3Confident72.3Confident0 Ų053 Ų530%026%0.257CS..Hα-helixtrans-62.9-44.3178.600000111.8C260 L264 F277 M310 D311 K316 F317 L318C260-A314 HydrophobicContact CB-CB 3.89Å; L264-A314 HydrophobicContact CB-CB 4.34Å; L264-A314 HydrophobicContact CD2-CB 4.32Å; F277-A314 HydrophobicContact CE1-CB 4.36Å; F277-A314 HydrophobicContact CZ-CB 4.03Å; M310-A314 WeakPolarHBondContact O-CB 3.37Å; M310-A314 PolarHBondContact O-N 3.03Å; D311-A314 PolarHBondContact O-N 3.15Å; A314-K316 VanDerWaalsContact C-N 3.32Å; A314-K316 PolarHBondContact O-N 3.34Å; A314-F317 PolarHBondContact O-N 3.42Å; A314-F317 VanDerWaalsContact O-N 3.15Å; A314-L318 WeakPolarHBondContact O-CG 3.38Å; A314-L318 PolarHBondContact O-N 3.5Å
315L74Confident71.8Confident40 Ų4047.1 Ų47.121%0.20923%0.231CC..Hα-helixtrans-60.6-41.2-179.9-175.3148.8000111.6C260 D311 F317 L318 R319C260-L315 HydrophobicContact CB-CB 4.49Å; D311-L315 WeakPolarHBondContact O-CB 3.39Å; D311-L315 PolarHBondContact O-N 3.49Å; L315-F317 VanDerWaalsContact C-N 3.32Å; L315-F317 PolarHBondContact O-N 3.24Å; L315-L318 PolarHBondContact O-N 3.32Å; L315-R319 HydrophobicContact CD2-CG 4.43Å; L315-R319 WeakPolarHBondContact O-CG 3.41Å; L315-R319 PolarHBondContact O-N 2.92Å
316K71Confident71Confident80 Ų8047.1 Ų47.135%0.34823%0.228SC..Hα-helixtrans-61.9-41176.2-71.9167.4-170.3163.70112Y299 F300 D312 A313 A314 V320Y299-K316 HydrophobicContact CD1-CB 3.7Å; Y299-K316 HydrophobicContact CG-CB 4.44Å; F300-K316 VanDerWaalsContact O-CD 3.24Å; F300-K316 WeakPolarHBondContact O-CD 3.47Å; F300-K316 PolarHBondContact O-NZ 2.92Å; D312-K316 WeakPolarHBondContact O-CD 3.42Å; D312-K316 VanDerWaalsContact O-CG 3.3Å; D312-K316 WeakPolarHBondContact O-CG 3.49Å; D312-K316 PolarHBondContact O-N 3.25Å; D312-K316 VanDerWaalsContact OD1-CE 3.31Å; D312-K316 WeakPolarHBondContact OD1-CE 3.24Å; D312-K316 IonicContact OD1-NZ 2.75Å; D312-K316 PolarHBondContact OD1-NZ 3.35Å; D312-K316 IonicContact OD2-NZ 3.32Å; D312-K316 PolarHBondContact OD2-NZ 3.18Å; A313-K316 PolarHBondContact O-N 2.99Å; A314-K316 VanDerWaalsContact C-N 3.32Å; A314-K316 PolarHBondContact O-N 3.34Å; K316-V320 PolarHBondContact O-N 3.25Å
317F74.7Confident70.5Confident0 Ų047.1 Ų47.10%024%0.235CC..Hα-helixtrans-71.5-42.6175.6174.2-124.1000112.8L264 L268 L290 L292 Y299 A313 A314 L315 R319 V320 L321L264-F317 HydrophobicContact CD1-CD1 3.36Å; L264-F317 HydrophobicContact CD1-CE1 3.65Å; L268-F317 HydrophobicContact CD1-CE1 4.03Å; L268-F317 HydrophobicContact CD2-CE1 3.72Å; L268-F317 HydrophobicContact CD2-CZ 4.01Å; L268-F317 HydrophobicContact CG-CE1 4.12Å; L290-F317 HydrophobicContact CD2-CB 3.61Å; L290-F317 HydrophobicContact CD2-CD1 3.91Å; L290-F317 HydrophobicContact CD2-CG 4.05Å; L292-F317 HydrophobicContact CD1-CD1 4.03Å; L292-F317 HydrophobicContact CD1-CD2 3.24Å; L292-F317 HydrophobicContact CD1-CE1 3.91Å; L292-F317 HydrophobicContact CD1-CE2 3.07Å; L292-F317 HydrophobicContact CD1-CG 3.7Å; L292-F317 HydrophobicContact CD1-CZ 3.42Å; L292-F317 VanDerWaalsContact CD1-CZ 3.42Å; L292-F317 HydrophobicContact CD2-CD1 4.1Å; L292-F317 HydrophobicContact CD2-CE1 3.6Å; L292-F317 HydrophobicContact CD2-CE2 4.22Å; L292-F317 HydrophobicContact CD2-CZ 3.64Å; L292-F317 HydrophobicContact CG-CD2 4.5Å; L292-F317 HydrophobicContact CG-CE1 4.39Å; L292-F317 HydrophobicContact CG-CE2 4.25Å; L292-F317 HydrophobicContact CG-CZ 4.17Å; Y299-F317 HydrophobicContact CD1-CB 4.12Å; Y299-F317 HydrophobicContact CD2-CB 3.58Å; Y299-F317 HydrophobicContact CD2-CD2 4.02Å; Y299-F317 HydrophobicContact CD2-CG 4.05Å; Y299-F317 HydrophobicContact CE1-CB 4.24Å; Y299-F317 HydrophobicContact CE2-CB 3.74Å; Y299-F317 AromaticContact CE2-CD2 3.34Å; Y299-F317 HydrophobicContact CE2-CD2 3.34Å; Y299-F317 HydrophobicContact CE2-CE2 4.28Å; Y299-F317 AromaticContact CE2-CG 3.85Å; Y299-F317 HydrophobicContact CE2-CG 3.85Å; Y299-F317 HydrophobicContact CG-CB 3.77Å; Y299-F317 AromaticContact CZ-CD2 3.69Å; A313-F317 PolarHBondContact O-N 3.45Å; A314-F317 PolarHBondContact O-N 3.42Å; A314-F317 VanDerWaalsContact O-N 3.15Å; L315-F317 VanDerWaalsContact C-N 3.32Å; L315-F317 PolarHBondContact O-N 3.24Å; F317-R319 PolarHBondContact O-N 3.46Å; F317-V320 CarbonylContact O-C 3.52Å; F317-V320 WeakPolarHBondContact O-CA 2.99Å; F317-V320 PolarHBondContact O-N 3.28Å; F317-L321 HydrophobicContact CD1-CD1 3.83Å; F317-L321 HydrophobicContact CD1-CG 4.32Å; F317-L321 HydrophobicContact CD2-CG 4.15Å; F317-L321 HydrophobicContact CE1-CD1 3.16Å; F317-L321 HydrophobicContact CE1-CD2 4.46Å; F317-L321 HydrophobicContact CE1-CG 3.74Å; F317-L321 HydrophobicContact CE2-CD1 3.99Å; F317-L321 HydrophobicContact CE2-CD2 4.02Å; F317-L321 HydrophobicContact CE2-CG 3.55Å; F317-L321 HydrophobicContact CG-CD1 4.49Å; F317-L321 HydrophobicContact CZ-CD1 3.29Å; F317-L321 HydrophobicContact CZ-CD2 3.72Å; F317-L321 HydrophobicContact CZ-CG 3.34Å; F317-L321 PolarHBondContact O-N 2.98Å
318L70.5Confident69.7Low0 Ų048.6 Ų48.60%024%0.24CC..Hα-helixtrans-59-34177.3-72.8173.6000111.8L246 L251 C260 L263 L264 A314 L315 L321 K322L246-L318 HydrophobicContact CD1-CD2 4.19Å; L251-L318 HydrophobicContact CD1-CB 4.34Å; L251-L318 HydrophobicContact CD2-CB 4.05Å; L251-L318 HydrophobicContact CD2-CD1 4.23Å; C260-L318 HydrophobicContact CB-CD1 4.35Å; L263-L318 HydrophobicContact CB-CD1 4.32Å; L264-L318 HydrophobicContact CD1-CD2 3.98Å; L264-L318 HydrophobicContact CD1-CG 4.24Å; A314-L318 WeakPolarHBondContact O-CG 3.38Å; A314-L318 PolarHBondContact O-N 3.5Å; L315-L318 PolarHBondContact O-N 3.32Å; L318-L321 HydrophobicContact CD2-CD1 4.23Å; L318-L321 PolarHBondContact O-N 3.28Å; L318-K322 VanDerWaalsContact O-CB 3.3Å; L318-K322 WeakPolarHBondContact O-CB 3.49Å; L318-K322 PolarHBondContact O-N 3.45Å
319R70.1Confident68.7Low116 Ų11646 Ų4644%0.43824%0.236SC..Hα-helixtrans-62-46.4171.1-76.3-177.7177.2-159.7-0.6112L251 D252 L315 F317 K322 E323L251-R319 HydrophobicContact CD1-CG 3.95Å; D252-R319 IonicContact OD1-CZ 3.14Å; D252-R319 IonicContact OD1-NH2 2.75Å; D252-R319 PolarHBondContact OD1-NH2 3.42Å; L315-R319 HydrophobicContact CD2-CG 4.43Å; L315-R319 WeakPolarHBondContact O-CG 3.41Å; L315-R319 PolarHBondContact O-N 2.92Å; F317-R319 PolarHBondContact O-N 3.46Å; R319-K322 PolarHBondContact O-N 3.27Å; R319-E323 WeakPolarHBondContact O-CG 3.39Å; R319-E323 PolarHBondContact O-N 3.19Å
320V69Low68Low33 Ų3353.9 Ų53.920%0.227%0.272CS..Hα-helixtrans-65.8-39.5177.3176.70000111.6Y299 K316 F317 E323 H324Y299-V320 HydrophobicContact CE1-CB 4.36Å; Y299-V320 HydrophobicContact CE1-CG2 3.75Å; Y299-V320 WeakPolarHBondContact OH-CB 3.03Å; Y299-V320 WeakPolarHBondContact OH-CG1 3.45Å; Y299-V320 WeakPolarHBondContact OH-CG2 3.44Å; K316-V320 PolarHBondContact O-N 3.25Å; F317-V320 CarbonylContact O-C 3.52Å; F317-V320 WeakPolarHBondContact O-CA 2.99Å; F317-V320 PolarHBondContact O-N 3.28Å; V320-E323 PolarHBondContact O-N 3.48Å; V320-H324 PolarHBondContact O-N 3.11Å; V320-H324 PolarHBondContact O-ND1 3.3Å
321L68.3Low66.5Low2 Ų262.4 Ų62.41%0.0131%0.312CS..Hα-helixtrans-61.2-46172.6-85.4176.2000111.6L246 V267 F317 L318 E323 H324 V325L246-L321 HydrophobicContact CD2-CB 4.17Å; V267-L321 HydrophobicContact CG1-CD1 4.19Å; F317-L321 HydrophobicContact CD1-CD1 3.83Å; F317-L321 HydrophobicContact CD1-CG 4.32Å; F317-L321 HydrophobicContact CD2-CG 4.15Å; F317-L321 HydrophobicContact CE1-CD1 3.16Å; F317-L321 HydrophobicContact CE1-CD2 4.46Å; F317-L321 HydrophobicContact CE1-CG 3.74Å; F317-L321 HydrophobicContact CE2-CD1 3.99Å; F317-L321 HydrophobicContact CE2-CD2 4.02Å; F317-L321 HydrophobicContact CE2-CG 3.55Å; F317-L321 HydrophobicContact CG-CD1 4.49Å; F317-L321 HydrophobicContact CZ-CD1 3.29Å; F317-L321 HydrophobicContact CZ-CD2 3.72Å; F317-L321 HydrophobicContact CZ-CG 3.34Å; F317-L321 PolarHBondContact O-N 2.98Å; L318-L321 HydrophobicContact CD2-CD1 4.23Å; L318-L321 PolarHBondContact O-N 3.28Å; L321-E323 VanDerWaalsContact C-N 3.32Å; L321-E323 PolarHBondContact O-N 3.27Å; L321-H324 PolarHBondContact O-N 3.35Å; L321-V325 WeakPolarHBondContact O-CB 3.27Å; L321-V325 VanDerWaalsContact O-CG2 3.25Å; L321-V325 WeakPolarHBondContact O-CG2 3.19Å; L321-V325 PolarHBondContact O-N 2.84Å
322K69.5Low66Low48 Ų4864 Ų6421%0.20932%0.319CS..Hα-helixtrans-58.8-45.1178.4-174.9172.7-177.91710110.8K247 L249 L251 L318 R319 V325 I326K247-K322 VanDerWaalsContact O-CE 3.27Å; K247-K322 WeakPolarHBondContact O-CE 3.11Å; K247-K322 PolarHBondContact O-NZ 2.82Å; L249-K322 PolarHBondContact O-NZ 3.39Å; L251-K322 HydrophobicContact CD1-CB 4.39Å; L251-K322 HydrophobicContact CD1-CD 3.92Å; L318-K322 VanDerWaalsContact O-CB 3.3Å; L318-K322 WeakPolarHBondContact O-CB 3.49Å; L318-K322 PolarHBondContact O-N 3.45Å; R319-K322 PolarHBondContact O-N 3.27Å; K322-V325 PolarHBondContact O-N 3.49Å; K322-I326 HydrophobicContact CG-CD1 3.85Å; K322-I326 WeakPolarHBondContact O-CB 3.21Å; K322-I326 WeakPolarHBondContact O-CD1 3.33Å; K322-I326 WeakPolarHBondContact O-CG1 3.4Å; K322-I326 PolarHBondContact O-N 3.49Å
323E69.8Low65.6Low131 Ų13164.7 Ų64.761%0.61232%0.322SS*.Hα-helixtrans-60.9-44.8175.1-72.6178.3175.400112.5R319 V320 L321 I326 A327R319-E323 WeakPolarHBondContact O-CG 3.39Å; R319-E323 PolarHBondContact O-N 3.19Å; V320-E323 PolarHBondContact O-N 3.48Å; L321-E323 VanDerWaalsContact C-N 3.32Å; L321-E323 PolarHBondContact O-N 3.27Å; E323-I326 PolarHBondContact O-N 2.87Å; E323-A327 WeakPolarHBondContact O-CB 3.36Å; E323-A327 PolarHBondContact O-N 3.23Å
324H66.2Low65.4Low83 Ų8368.3 Ų68.338%0.38434%0.34SS..Hα-helixtrans-64.9-42.1177.4-82.276.9000112.7V320 L321 A327 N328V320-H324 PolarHBondContact O-N 3.11Å; V320-H324 PolarHBondContact O-ND1 3.3Å; L321-H324 PolarHBondContact O-N 3.35Å; H324-A327 PolarHBondContact O-N 2.89Å; H324-N328 WeakPolarHBondContact O-CB 3Å; H324-N328 PolarHBondContact O-N 3.11Å
325V64.1Low64.9Low25 Ų2572.4 Ų72.415%0.15236%0.36CS..Hα-helixtrans-65.7-42.2178.9168.40000109.9K247 L321 K322 S329K247-V325 HydrophobicContact CD-CG1 4.08Å; K247-V325 HydrophobicContact CG-CG1 3.67Å; L321-V325 WeakPolarHBondContact O-CB 3.27Å; L321-V325 VanDerWaalsContact O-CG2 3.25Å; L321-V325 WeakPolarHBondContact O-CG2 3.19Å; L321-V325 PolarHBondContact O-N 2.84Å; K322-V325 PolarHBondContact O-N 3.49Å; V325-S329 PolarHBondContact O-N 3.05Å; V325-S329 PolarHBondContact O-OG 3.08Å
326I61.2Low64.4Low68 Ų6874.4 Ų74.435%0.34937%0.369SS..Hα-helixtrans-61-48.9173.4-68.7165.2000110.4K322 E323 N328 S329 E330K322-I326 HydrophobicContact CG-CD1 3.85Å; K322-I326 WeakPolarHBondContact O-CB 3.21Å; K322-I326 WeakPolarHBondContact O-CD1 3.33Å; K322-I326 WeakPolarHBondContact O-CG1 3.4Å; K322-I326 PolarHBondContact O-N 3.49Å; E323-I326 PolarHBondContact O-N 2.87Å; I326-N328 VanDerWaalsContact C-N 3.34Å; I326-N328 PolarHBondContact O-N 2.73Å; I326-S329 WeakPolarHBondContact O-CB 3.4Å; I326-S329 PolarHBondContact O-N 2.69Å; I326-S329 PolarHBondContact O-OG 3.32Å; I326-E330 PolarHBondContact O-N 3.44Å
327A60.6Low63.9Low51 Ų5174 Ų7442%0.42137%0.371SS..Hα-helixtrans-59.6-40.6-179.700000113.2E323 H324 S329 E330E323-A327 WeakPolarHBondContact O-CB 3.36Å; E323-A327 PolarHBondContact O-N 3.23Å; H324-A327 PolarHBondContact O-N 2.89Å; A327-S329 PolarHBondContact O-N 3.27Å; A327-E330 PolarHBondContact O-N 3.22Å
328N58.3Low63.1Low115 Ų11579.3 Ų79.362%0.61540%0.397SS*.THydrogen-bonded Turntrans-76-8.1176.4-73.4-17.7000113.7H324 I326H324-N328 WeakPolarHBondContact O-CB 3Å; H324-N328 PolarHBondContact O-N 3.11Å; I326-N328 VanDerWaalsContact C-N 3.34Å; I326-N328 PolarHBondContact O-N 2.73Å
329S56.7Low62.6Low54 Ų5485.4 Ų85.438%0.37843%0.428SS..THydrogen-bonded Turntrans-85.3-22.9175-46.80000113.3K247 V325 I326 A327K247-S329 WeakPolarHBondContact CE-OG 3.49Å; K247-S329 PolarHBondContact NZ-OG 2.99Å; V325-S329 PolarHBondContact O-N 3.05Å; V325-S329 PolarHBondContact O-OG 3.08Å; I326-S329 WeakPolarHBondContact O-CB 3.4Å; I326-S329 PolarHBondContact O-N 2.69Å; I326-S329 PolarHBondContact O-OG 3.32Å; A327-S329 PolarHBondContact O-N 3.27Å
330E56.2Low61.9Low164 Ų16482.8 Ų82.877%0.76643%0.427SS*.  trans-97.1-2.4-173.3-65.1-174.6153.300112.5I326 A327I326-E330 PolarHBondContact O-N 3.44Å; A327-E330 PolarHBondContact O-N 3.22Å
331Q43.7Very low61.3Low220 Ų22087.4 Ų87.4100%1.02845%0.448SS*.  trans-97.70170.3-74.9-173.9-8.100111.6

Retrieved 331 of 331 residues in 824.8 ms (Link to these results)

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