A0A077Z7Q3_TRITR Loading...

His Phos 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7Q3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 285 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
1M39Very low48.4Very low245 Ų245159.4 Ų159.4100%1.20780%0.797SS**  090.20-77.8173.3176.400107.2
2S37.4Very low51.9Low97 Ų97146.4 Ų146.468%0.67873%0.732SS**  trans-91.1131.6177.554.30000109.6D4S2-D4 PolarHBondContact O-N 3.09Å; S2-D4 VanDerWaalsContact O-N 3.09Å
3I45.9Very low55Low172 Ų172139.5 Ų139.588%0.88270%0.703SS**  trans-85.548.3-178.8-61.7162.1000108.8
4D42.1Very low57.6Low143 Ų143132.9 Ų132.977%0.76567%0.668SS**  trans-10925.7-179.6-72.1-39.6000112.6S2S2-D4 PolarHBondContact O-N 3.09Å; S2-D4 VanDerWaalsContact O-N 3.09Å
5N34.3Very low60Low152 Ų152124.1 Ų124.181%0.81362%0.624SS**  trans-111.483.6172.5-89.2-17.7000109.4
6E36.5Very low62.2Low191 Ų191117.8 Ų117.889%0.89359%0.594SS**  trans-173.9-0.3153.9-110.6166.4-165.600119.2N8E6-N8 PolarHBondContact O-N 3.3Å
7L41Very low64.1Low155 Ų155110.9 Ų110.981%0.81256%0.559SS**  trans-96.639.4-175-119.3114.5000115.8
8N45.2Very low65.8Low165 Ų165105.3 Ų105.388%0.88253%0.531SS*.  trans-106.436.4-177.7-138.70.4000114.3E6E6-N8 PolarHBondContact O-N 3.3Å
9R52.7Low67.4Low210 Ų21099.9 Ų99.979%0.79250%0.504SS*.SBendtrans-133132.5163.9-72.5-171.1-178.4-165.72.7110E11R9-E11 HydrophobicContact CB-CG 4.28Å; R9-E11 PolarHBondContact O-N 3.4Å
10E71.6Confident68.8Low118 Ų11895 Ų9555%0.55148%0.479SS*.  trans-68.862.6174.8-61.3173.7155.200110.7G207E10-G207 PolarHBondContact O-N 3.12Å
11E86.3Confident70.1Confident105 Ų10590.5 Ų90.549%0.49146%0.456SS..  trans-66.6140178.7-66.4-162.3174.100110.8R9 T13 R208 R256R9-E11 HydrophobicContact CB-CG 4.28Å; R9-E11 PolarHBondContact O-N 3.4Å; E11-T13 PolarHBondContact O-N 3.41Å; E11-R208 WeakPolarHBondContact O-CA 3.47Å; E11-R256 IonicContact OE2-CZ 2.89Å; E11-R256 IonicContact OE2-NH1 3.26Å; E11-R256 PolarHBondContact OE2-NH1 2.78Å; E11-R256 IonicContact OE2-NH2 3.4Å
12L91.4Very high72.6Confident4 Ų481.8 Ų81.82%0.02141%0.413CS..  trans-66118.9175.5-175.667.4000110E14 I15 L201 Q202 H205 G207 W261L12-E14 WeakPolarHBondContact CD1-O 3.5Å; L12-I15 HydrophobicContact CD1-CG1 4.43Å; L12-I15 HydrophobicContact CD2-CD1 3.92Å; L12-I15 HydrophobicContact CD2-CG1 3.74Å; L12-I15 HydrophobicContact CG-CG1 4.26Å; L12-L201 HydrophobicContact CD2-CB 4.27Å; L12-Q202 HydrophobicContact CD2-CB 4.46Å; L12-Q202 HydrophobicContact CD2-CG 4.07Å; L12-H205 HydrophobicContact CD2-CB 4.47Å; L12-G207 WeakPolarHBondContact CA-O 3.41Å; L12-G207 PolarHBondContact N-O 3.28Å; L12-W261 HydrophobicContact CD2-CH2 4.32Å; L12-W261 HydrophobicContact CG-CH2 4.02Å
13T91.4Very high75.2Confident57 Ų5777.2 Ų77.235%0.3538%0.38SS..  trans-110.1-24.7179.852.50000112.8E11 R208 R256E11-T13 PolarHBondContact O-N 3.41Å; T13-R208 PolarHBondContact N-O 2.97Å; T13-R208 PolarHBondContact OG1-O 3.33Å; T13-R256 PolarHBondContact O-N 2.99Å
14E92.3Very high77.3Confident47 Ų4769 Ų6922%0.2234%0.338CS..EExtended strand (participates in β ladder)trans-138.9140.1-179.2-58.2-168.4162.100111L12 R208 V209 G210 T253 L254 R255L12-E14 WeakPolarHBondContact CD1-O 3.5Å; E14-R208 PolarHBondContact N-O 3.06Å; E14-V209 HydrophobicContact CB-CG2 4.3Å; E14-V209 CarbonylContact O-C 3.58Å; E14-V209 WeakPolarHBondContact O-CA 3.36Å; E14-G210 PolarHBondContact O-N 3.19Å; E14-T253 HydrophobicContact CB-CG2 4.36Å; E14-L254 CarbonylContact C-O 3.59Å; E14-L254 VanDerWaalsContact CA-O 3.27Å; E14-L254 WeakPolarHBondContact CA-O 3.4Å; E14-R255 HydrophobicContact CG-CG 4.36Å; E14-R255 IonicContact OE1-CZ 2.73Å; E14-R255 VanDerWaalsContact OE1-CZ 3.27Å; E14-R255 IonicContact OE1-NE 3.91Å; E14-R255 PolarHBondContact OE1-NE 3.27Å; E14-R255 IonicContact OE1-NH2 3.61Å; E14-R255 PolarHBondContact OE1-NH2 3.15Å
15I93.6Very high79.5Confident0 Ų063 Ų630%031%0.306CS..EExtended strand (participates in β ladder)trans-117.7114.7167.4-59.3174.1000107.4L12 V17 T198 Q202 G210 L212 T253 L254 W261L12-I15 HydrophobicContact CD1-CG1 4.43Å; L12-I15 HydrophobicContact CD2-CD1 3.92Å; L12-I15 HydrophobicContact CD2-CG1 3.74Å; L12-I15 HydrophobicContact CG-CG1 4.26Å; I15-V17 HydrophobicContact CG2-CG2 4.24Å; I15-T198 HydrophobicContact CD1-CG2 4.36Å; I15-Q202 HydrophobicContact CD1-CG 4.34Å; I15-G210 CarbonylContact C-O 3.45Å; I15-G210 VanDerWaalsContact CA-O 3.26Å; I15-G210 WeakPolarHBondContact CA-O 3.28Å; I15-L212 HydrophobicContact CG2-CD1 3.54Å; I15-L212 HydrophobicContact CG2-CG 3.86Å; I15-T253 CarbonylContact O-C 3.59Å; I15-T253 WeakPolarHBondContact O-CA 3.49Å; I15-L254 HydrophobicContact CB-CB 4.13Å; I15-L254 HydrophobicContact CB-CD1 4.28Å; I15-L254 HydrophobicContact CB-CG 4.4Å; I15-L254 HydrophobicContact CD1-CD1 4.45Å; I15-L254 HydrophobicContact CG2-CD1 4.44Å; I15-L254 PolarHBondContact N-O 2.81Å; I15-L254 PolarHBondContact O-N 2.73Å; I15-W261 HydrophobicContact CD1-CH2 4.39Å; I15-W261 HydrophobicContact CD1-CZ3 4.34Å; I15-W261 HydrophobicContact CG1-CH2 4.23Å; I15-W261 HydrophobicContact CG1-CZ3 4.06Å
16V94Very high82.1Confident24 Ų2459.5 Ų59.515%0.14528%0.282CS..EExtended strand (participates in β ladder)trans-98.5112.9176.9-179.80000108.6V209 G210 M211 L212 L252 T253V16-V209 HydrophobicContact CG2-CG1 3.98Å; V16-G210 PolarHBondContact N-O 3.1Å; V16-M211 CarbonylContact O-C 3.54Å; V16-M211 WeakPolarHBondContact O-CA 3.21Å; V16-L212 PolarHBondContact O-N 2.98Å; V16-L252 CarbonylContact C-O 3.56Å; V16-L252 WeakPolarHBondContact CA-O 3.25Å; V16-T253 HydrophobicContact CG2-CG2 4.44Å
17V95.2Very high84.4Confident0 Ų053.8 Ų53.80%026%0.257CS..EExtended strand (participates in β ladder)trans-97.1116.9174.1-171.30000108.6I15 L212 A218 I219 L222 S251 L252I15-V17 HydrophobicContact CG2-CG2 4.24Å; V17-L212 CarbonylContact C-O 3.52Å; V17-L212 WeakPolarHBondContact CA-O 3.21Å; V17-L212 HydrophobicContact CG2-CD1 4.28Å; V17-A218 HydrophobicContact CG1-CB 4.14Å; V17-I219 HydrophobicContact CG1-CG1 4.14Å; V17-L222 HydrophobicContact CG1-CD1 4.42Å; V17-L222 HydrophobicContact CG2-CD1 3.75Å; V17-S251 CarbonylContact O-C 3.57Å; V17-S251 VanDerWaalsContact O-CA 3.24Å; V17-S251 WeakPolarHBondContact O-CA 3.35Å; V17-L252 HydrophobicContact CB-CB 4.32Å; V17-L252 HydrophobicContact CG2-CD2 4.46Å; V17-L252 PolarHBondContact N-O 2.73Å; V17-L252 PolarHBondContact O-N 3.42Å
18L95.4Very high86.5Confident11 Ų1148.5 Ų48.56%0.05823%0.227CC..EExtended strand (participates in β ladder)trans-114130.8-178.7-178.671.3000110.2T119 I123 L212 I213 S214 L249L18-T119 HydrophobicContact CD2-CG2 4.21Å; L18-I123 HydrophobicContact CD2-CD1 3.26Å; L18-L212 PolarHBondContact N-O 2.91Å; L18-I213 HydrophobicContact CD2-CG1 4.46Å; L18-I213 CarbonylContact O-C 3.56Å; L18-I213 WeakPolarHBondContact O-CA 3.23Å; L18-S214 PolarHBondContact O-N 3.05Å; L18-L249 WeakPolarHBondContact CD1-O 3.4Å; L18-L249 HydrophobicContact CD2-CD2 4.42Å
19K95.5Very high88.2Confident3 Ų342 Ų421%0.01320%0.199CC..EExtended strand (participates in β ladder)trans-75134.3168.3178.9-179.2166.4-172.80109.6S214 I219 V246 P247 L249 T250K19-S214 CarbonylContact C-O 3.48Å; K19-S214 WeakPolarHBondContact CA-O 2.89Å; K19-I219 HydrophobicContact CB-CD1 3.68Å; K19-V246 HydrophobicContact CD-CB 4.33Å; K19-V246 HydrophobicContact CD-CG1 4.06Å; K19-V246 WeakPolarHBondContact CD-O 3.41Å; K19-V246 PolarHBondContact NZ-O 2.77Å; K19-P247 WeakPolarHBondContact CD-O 3.45Å; K19-L249 VanDerWaalsContact O-CA 3.24Å; K19-L249 WeakPolarHBondContact O-CA 3.41Å; K19-L249 PolarHBondContact O-N 3.06Å; K19-L249 VanDerWaalsContact O-N 3.07Å; K19-T250 PolarHBondContact N-O 3.48Å
20H95.4Very high89.2Confident0 Ų037.7 Ų37.70%019%0.192CC..PPolyproline II helixtrans-51.6154.9174.472.783.2000113.6C116 I213 S214 H215H20-C116 HydrophobicContact CB-CB 4.44Å; H20-I213 HydrophobicContact CB-CG2 4.43Å; H20-S214 PolarHBondContact CD2-O 2.89Å; H20-S214 PolarHBondContact N-O 2.93Å; H20-H215 AromaticContact CD2-ND1 3.72Å; H20-H215 AromaticContact NE2-ND1 3.69Å
21A95.4Very high89.6Confident1 Ų136.1 Ų36.11%0.00819%0.187CC..PPolyproline II helixtrans-71.4168.8173.400000112.3S23 L79 S87 T119 L249A21-S23 PolarHBondContact O-N 3.24Å; A21-L79 HydrophobicContact CB-CD1 4.27Å; A21-L79 HydrophobicContact CB-CD2 3.86Å; A21-L79 WeakPolarHBondContact O-CD2 3.41Å; A21-S87 WeakPolarHBondContact CB-OG 3.3Å; A21-T119 PolarHBondContact N-OG1 2.99Å; A21-T119 VanDerWaalsContact N-OG1 3.07Å; A21-L249 HydrophobicContact CB-CD1 4.12Å; A21-L249 HydrophobicContact CB-CD2 3.87Å; A21-L249 HydrophobicContact CB-CG 3.96Å
22E92.7Very high89.5Confident63 Ų6331.1 Ų31.129%0.29416%0.164SC..PPolyproline II helixtrans-65.4124.2-173.9-62.6175.8103.700112.2I27 S80 S83 K86 P248E22-I27 HydrophobicContact CB-CD1 3.85Å; E22-I27 HydrophobicContact CB-CG1 3.92Å; E22-S80 PolarHBondContact O-N 3.47Å; E22-S83 WeakPolarHBondContact CA-OG 3.43Å; E22-S83 WeakPolarHBondContact CB-OG 3.34Å; E22-S83 PolarHBondContact N-OG 3.24Å; E22-S83 VanDerWaalsContact N-OG 3.1Å; E22-S83 WeakPolarHBondContact O-CB 3.48Å; E22-S83 PolarHBondContact O-OG 3.35Å; E22-K86 IonicContact OE2-NZ 2.65Å; E22-P248 HydrophobicContact CG-CB 3.61Å; E22-P248 HydrophobicContact CG-CG 3.17Å
23S92.3Very high89.2Confident0 Ų032.5 Ų32.50%017%0.171CC..BIsolated β-bridgetrans-79.1159169.647.70000111.5A21 D25 R26 I27 P78A21-S23 PolarHBondContact O-N 3.24Å; S23-D25 VanDerWaalsContact C-N 3.32Å; S23-D25 WeakPolarHBondContact CB-OD1 3.35Å; S23-D25 PolarHBondContact O-N 2.89Å; S23-D25 PolarHBondContact OG-OD1 2.95Å; S23-R26 WeakPolarHBondContact O-CB 3.5Å; S23-R26 PolarHBondContact O-N 2.68Å; S23-R26 VanDerWaalsContact O-N 3.12Å; S23-I27 PolarHBondContact O-N 2.97Å; S23-P78 CarbonylContact C-O 3.59Å; S23-P78 WeakPolarHBondContact CA-O 3.09Å; S23-P78 VanDerWaalsContact CB-O 3.3Å; S23-P78 WeakPolarHBondContact CB-O 3.44Å
24V90.3Very high88.9Confident0 Ų035.1 Ų35.10%018%0.183CC..Hα-helixtrans-59.4-38.5-176.7-680000113.2R26 I27 F28 W32 M59 P60 P77 P78V24-R26 PolarHBondContact O-N 2.78Å; V24-I27 PolarHBondContact O-N 3.23Å; V24-F28 HydrophobicContact CB-CD2 4.03Å; V24-F28 HydrophobicContact CB-CE2 4.48Å; V24-F28 HydrophobicContact CG1-CD2 4.44Å; V24-F28 HydrophobicContact CG1-CE2 4.41Å; V24-F28 WeakPolarHBondContact O-CB 3.5Å; V24-F28 WeakPolarHBondContact O-CD2 3.32Å; V24-F28 PolarHBondContact O-N 3.38Å; V24-W32 HydrophobicContact CB-CD2 4.33Å; V24-W32 HydrophobicContact CB-CE3 4.28Å; V24-W32 HydrophobicContact CG2-CD2 3.46Å; V24-W32 VanDerWaalsContact CG2-CD2 3.46Å; V24-W32 HydrophobicContact CG2-CE3 3.46Å; V24-W32 VanDerWaalsContact CG2-CE3 3.46Å; V24-W32 HydrophobicContact CG2-CG 4.02Å; V24-W32 HydrophobicContact CG2-CH2 3.88Å; V24-W32 HydrophobicContact CG2-CZ2 3.94Å; V24-W32 HydrophobicContact CG2-CZ3 3.69Å; V24-M59 HydrophobicContact CB-SD 4.02Å; V24-M59 HydrophobicContact CG1-SD 3.92Å; V24-P60 HydrophobicContact CG1-CG 4.3Å; V24-P77 HydrophobicContact CG2-CB 3.77Å; V24-P78 HydrophobicContact CG1-CG 4.39Å; V24-P78 HydrophobicContact CG2-CG 3.99Å; V24-P78 PolarHBondContact N-O 3.27Å
25D87.9Confident88.5Confident17 Ų1735.3 Ų35.39%0.09118%0.183CC..Hα-helixtrans-61.1-32.817771.2-50.8000112.7S23 G29 P77 H147S23-D25 VanDerWaalsContact C-N 3.32Å; S23-D25 WeakPolarHBondContact CB-OD1 3.35Å; S23-D25 PolarHBondContact O-N 2.89Å; S23-D25 PolarHBondContact OG-OD1 2.95Å; D25-G29 CarbonylContact O-C 3.58Å; D25-G29 WeakPolarHBondContact O-CA 3.42Å; D25-G29 PolarHBondContact O-N 3.12Å; D25-P77 HydrophobicContact CB-CB 4.06Å; D25-P77 HydrophobicContact CB-CG 3.83Å; D25-P77 WeakPolarHBondContact OD1-CG 3.01Å; D25-H147 IonicContact OD2-CE1 2.64Å
26R87.5Confident88.1Confident79 Ų7936 Ų3630%0.29819%0.186SC..Hα-helixtrans-75.1-27.7179.5-69.9-179.3174.1-119.13.2112.9S23 V24 Q146S23-R26 WeakPolarHBondContact O-CB 3.5Å; S23-R26 PolarHBondContact O-N 2.68Å; S23-R26 VanDerWaalsContact O-N 3.12Å; V24-R26 PolarHBondContact O-N 2.78Å; R26-Q146 VanDerWaalsContact NH2-NE2 3.14Å
27I86.1Confident87.7Confident71 Ų7136.7 Ų36.736%0.36419%0.189SC..Hα-helixtrans-90.4-41.6179.9-57.7-179.1000110.5E22 S23 V24 S80E22-I27 HydrophobicContact CB-CD1 3.85Å; E22-I27 HydrophobicContact CB-CG1 3.92Å; S23-I27 PolarHBondContact O-N 2.97Å; V24-I27 PolarHBondContact O-N 3.23Å; I27-S80 WeakPolarHBondContact CD1-OG 3.36Å
28F83.6Confident87.1Confident43 Ų4343.5 Ų43.519%0.18922%0.218CC..Hα-helixtrans-110.6-5.8-168-56.2-69.4000114.2V24 N31 W32 N55 M59V24-F28 HydrophobicContact CB-CD2 4.03Å; V24-F28 HydrophobicContact CB-CE2 4.48Å; V24-F28 HydrophobicContact CG1-CD2 4.44Å; V24-F28 HydrophobicContact CG1-CE2 4.41Å; V24-F28 WeakPolarHBondContact O-CB 3.5Å; V24-F28 WeakPolarHBondContact O-CD2 3.32Å; V24-F28 PolarHBondContact O-N 3.38Å; F28-N31 PolarHBondContact O-OD1 3.34Å; F28-W32 HydrophobicContact CB-CB 4.08Å; F28-N55 HydrophobicContact CE1-CB 4.13Å; F28-N55 WeakPolarHBondContact CE1-O 3.33Å; F28-N55 WeakPolarHBondContact CZ-O 3.38Å; F28-M59 HydrophobicContact CB-CE 3.47Å; F28-M59 VanDerWaalsContact CB-CE 3.47Å; F28-M59 HydrophobicContact CD1-CE 3.84Å; F28-M59 HydrophobicContact CD2-CE 3.16Å; F28-M59 HydrophobicContact CD2-CG 4.13Å; F28-M59 HydrophobicContact CD2-SD 3.3Å; F28-M59 WeakPolarHBondContact CD2-SD 3.18Å; F28-M59 HydrophobicContact CE1-CE 4.38Å; F28-M59 HydrophobicContact CE2-CE 3.8Å; F28-M59 HydrophobicContact CE2-CG 3.76Å; F28-M59 HydrophobicContact CE2-SD 3.43Å; F28-M59 WeakPolarHBondContact CE2-SD 3.19Å; F28-M59 HydrophobicContact CG-CE 3.19Å; F28-M59 HydrophobicContact CG-SD 4Å; F28-M59 HydrophobicContact CZ-CE 4.36Å; F28-M59 HydrophobicContact CZ-CG 3.98Å; F28-M59 HydrophobicContact CZ-SD 4.22Å
29G82.4Confident86.6Confident29 Ų2949.6 Ų49.630%0.29924%0.241SC..  trans79.8-175.3-176.500000113.2D25 N31 W32D25-G29 CarbonylContact O-C 3.58Å; D25-G29 WeakPolarHBondContact O-CA 3.42Å; D25-G29 PolarHBondContact O-N 3.12Å; G29-N31 VanDerWaalsContact C-N 3.3Å; G29-N31 PolarHBondContact O-N 3.36Å; G29-W32 WeakPolarHBondContact O-CB 3.45Å; G29-W32 VanDerWaalsContact O-CD1 3.25Å; G29-W32 PolarHBondContact O-N 2.95Å
30N73.7Confident86.1Confident119 Ų11949.4 Ų49.464%0.63624%0.241SC*.G310 helixtrans-72.8-17.5-168.9-66.1-19000114.6W32N30-W32 VanDerWaalsContact C-N 3.27Å; N30-W32 PolarHBondContact O-N 3.39Å
31N78.8Confident85.7Confident85 Ų8555.6 Ų55.646%0.45526%0.264SS..G310 helixtrans-87.79.1178.765.9-38.1000113.1F28 G29 I33 D34F28-N31 PolarHBondContact O-OD1 3.34Å; G29-N31 VanDerWaalsContact C-N 3.3Å; G29-N31 PolarHBondContact O-N 3.36Å; N31-I33 PolarHBondContact O-N 2.92Å; N31-I33 VanDerWaalsContact O-N 3.09Å; N31-D34 WeakPolarHBondContact O-CB 3.25Å; N31-D34 PolarHBondContact O-N 3.4Å
32W85.2Confident85.1Confident0 Ų058.4 Ų58.40%027%0.274CS..G310 helixtrans-55.6-26.917775.7-92.5000113.2V24 F28 G29 N30 D34 F35 Y36 M59 L63 W73 P77 P78V24-W32 HydrophobicContact CB-CD2 4.33Å; V24-W32 HydrophobicContact CB-CE3 4.28Å; V24-W32 HydrophobicContact CG2-CD2 3.46Å; V24-W32 VanDerWaalsContact CG2-CD2 3.46Å; V24-W32 HydrophobicContact CG2-CE3 3.46Å; V24-W32 VanDerWaalsContact CG2-CE3 3.46Å; V24-W32 HydrophobicContact CG2-CG 4.02Å; V24-W32 HydrophobicContact CG2-CH2 3.88Å; V24-W32 HydrophobicContact CG2-CZ2 3.94Å; V24-W32 HydrophobicContact CG2-CZ3 3.69Å; F28-W32 HydrophobicContact CB-CB 4.08Å; G29-W32 WeakPolarHBondContact O-CB 3.45Å; G29-W32 VanDerWaalsContact O-CD1 3.25Å; G29-W32 PolarHBondContact O-N 2.95Å; N30-W32 VanDerWaalsContact C-N 3.27Å; N30-W32 PolarHBondContact O-N 3.39Å; W32-D34 VanDerWaalsContact C-N 3.29Å; W32-D34 PolarHBondContact O-N 2.97Å; W32-F35 VanDerWaalsContact O-CD2 3.32Å; W32-F35 WeakPolarHBondContact O-CD2 3.43Å; W32-F35 PolarHBondContact O-N 3.24Å; W32-Y36 HydrophobicContact CE3-CD2 4.17Å; W32-Y36 AromaticContact CE3-CE2 3.77Å; W32-Y36 HydrophobicContact CE3-CE2 3.77Å; W32-Y36 HydrophobicContact CZ3-CD2 4.17Å; W32-Y36 AromaticContact CZ3-CE2 3.88Å; W32-Y36 HydrophobicContact CZ3-CE2 3.88Å; W32-Y36 WeakPolarHBondContact O-CD2 3.5Å; W32-Y36 WeakPolarHBondContact O-CE2 3.32Å; W32-M59 HydrophobicContact CB-CE 3.79Å; W32-L63 HydrophobicContact CH2-CD1 4.3Å; W32-L63 HydrophobicContact CH2-CD2 4.28Å; W32-L63 HydrophobicContact CZ3-CD1 3.95Å; W32-L63 HydrophobicContact CZ3-CD2 3.77Å; W32-W73 HydrophobicContact CH2-CB 3.7Å; W32-W73 HydrophobicContact CH2-CG 4.41Å; W32-W73 HydrophobicContact CZ2-CB 4.07Å; W32-W73 WeakPolarHBondContact CZ2-O 3.29Å; W32-P77 HydrophobicContact CH2-CB 4.38Å; W32-P77 HydrophobicContact CZ2-CB 3.64Å; W32-P78 HydrophobicContact CH2-CG 4.34Å
33I85.5Confident84.4Confident34 Ų3459.7 Ų59.717%0.17428%0.281CS..G310 helixtrans-71.8-25.6-178.9-164.860.6000112.3N31 F35 Y36 L63 W73 I74N31-I33 PolarHBondContact O-N 2.92Å; N31-I33 VanDerWaalsContact O-N 3.09Å; I33-F35 PolarHBondContact O-N 3.14Å; I33-Y36 PolarHBondContact O-N 3.03Å; I33-L63 HydrophobicContact CD1-CD1 4.18Å; I33-W73 HydrophobicContact CD1-CB 3.68Å; I33-W73 HydrophobicContact CD1-CE3 4.07Å; I33-W73 HydrophobicContact CD1-CG 4.47Å; I33-I74 HydrophobicContact CG2-CD1 4.25Å
34D84.6Confident83.1Confident111 Ų11161.3 Ų61.359%0.59429%0.29SS*.G310 helixtrans-67.4-10.9-179.6-61-22.7000112.6N31 W32 Y36 M43N31-D34 WeakPolarHBondContact O-CB 3.25Å; N31-D34 PolarHBondContact O-N 3.4Å; W32-D34 VanDerWaalsContact C-N 3.29Å; W32-D34 PolarHBondContact O-N 2.97Å; D34-Y36 VanDerWaalsContact C-N 3.27Å; D34-M43 WeakPolarHBondContact O-CE 3.38Å
35F83Confident81.5Confident52 Ų5270.6 Ų70.623%0.22833%0.334CS..G310 helixtrans-83.10.1174.9-63.4-90.9000112.9W32 I33 R42 M43 E56 M59W32-F35 VanDerWaalsContact O-CD2 3.32Å; W32-F35 WeakPolarHBondContact O-CD2 3.43Å; W32-F35 PolarHBondContact O-N 3.24Å; I33-F35 PolarHBondContact O-N 3.14Å; F35-R42 CarbonylContact O-C 3.24Å; F35-R42 WeakPolarHBondContact O-CA 3.36Å; F35-M43 PolarHBondContact O-N 3.11Å; F35-E56 HydrophobicContact CE1-CG 4.43Å; F35-E56 WeakPolarHBondContact CE1-OE1 3.41Å; F35-M59 HydrophobicContact CD2-CE 4Å; F35-M59 HydrophobicContact CE2-CE 4.3Å; F35-M59 HydrophobicContact CG-CE 4.45Å
36Y86.2Confident79.9Confident14 Ų1478.9 Ų78.96%0.05537%0.369CS..BIsolated β-bridgetrans-124.9145.9-173.9-63.3-92.1000113.4W32 I33 D34 G40 R41 R42 M43 M59 P60 L63W32-Y36 HydrophobicContact CE3-CD2 4.17Å; W32-Y36 AromaticContact CE3-CE2 3.77Å; W32-Y36 HydrophobicContact CE3-CE2 3.77Å; W32-Y36 HydrophobicContact CZ3-CD2 4.17Å; W32-Y36 AromaticContact CZ3-CE2 3.88Å; W32-Y36 HydrophobicContact CZ3-CE2 3.88Å; W32-Y36 WeakPolarHBondContact O-CD2 3.5Å; W32-Y36 WeakPolarHBondContact O-CE2 3.32Å; I33-Y36 PolarHBondContact O-N 3.03Å; D34-Y36 VanDerWaalsContact C-N 3.27Å; Y36-G40 WeakPolarHBondContact CD1-O 3.45Å; Y36-R41 CarbonylContact C-O 3.58Å; Y36-R41 WeakPolarHBondContact CA-O 3.46Å; Y36-R42 HydrophobicContact CD1-CB 4.09Å; Y36-R42 HydrophobicContact CE1-CB 3.85Å; Y36-R42 HydrophobicContact CE1-CG 4.16Å; Y36-M43 WeakPolarHBondContact O-CE 3.01Å; Y36-M59 HydrophobicContact CE2-SD 4.39Å; Y36-M59 WeakPolarHBondContact OH-CB 3.41Å; Y36-P60 VanDerWaalsContact CE1-O 3.26Å; Y36-P60 WeakPolarHBondContact CE1-O 2.98Å; Y36-P60 VanDerWaalsContact OH-CD 3.29Å; Y36-P60 WeakPolarHBondContact OH-CD 3.39Å; Y36-P60 PolarHBondContact OH-O 3.25Å; Y36-L63 HydrophobicContact CD1-CD1 3.69Å; Y36-L63 HydrophobicContact CD1-CD2 4.13Å; Y36-L63 HydrophobicContact CD1-CG 3.56Å; Y36-L63 HydrophobicContact CD2-CD1 4Å; Y36-L63 HydrophobicContact CD2-CG 4.49Å; Y36-L63 HydrophobicContact CE1-CD1 4.08Å; Y36-L63 HydrophobicContact CE1-CD2 3.64Å; Y36-L63 HydrophobicContact CE1-CG 3.55Å; Y36-L63 HydrophobicContact CE2-CD1 4.39Å; Y36-L63 HydrophobicContact CE2-CD2 4.18Å; Y36-L63 HydrophobicContact CG-CD1 3.62Å; Y36-L63 HydrophobicContact CG-CG 4.04Å
37D85.1Confident78.2Confident38 Ų3881.1 Ų81.120%0.20338%0.381CS..  trans-76.9173.2171.677.70.2000111.3Y39 G40 R41 M43D37-Y39 PolarHBondContact O-N 3.5Å; D37-Y39 VanDerWaalsContact OD1-C 3.26Å; D37-Y39 VanDerWaalsContact OD1-CA 3.23Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.31Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.4Å; D37-Y39 PolarHBondContact OD1-N 2.83Å; D37-Y39 WeakPolarHBondContact OD2-CD2 3.48Å; D37-G40 PolarHBondContact O-N 2.89Å; D37-G40 PolarHBondContact OD1-N 3.13Å; D37-R41 PolarHBondContact N-O 3.33Å; D37-R41 WeakPolarHBondContact OD1-CB 3.08Å; D37-R41 PolarHBondContact OD1-N 2.97Å; D37-R41 IonicContact OD1-NE 3.12Å; D37-R41 IonicContact OD2-CZ 3.35Å; D37-R41 IonicContact OD2-NE 3.47Å; D37-R41 PolarHBondContact OD2-NE 3.44Å; D37-R41 IonicContact OD2-NH2 2.73Å; D37-R41 PolarHBondContact OD2-NH2 3.42Å; D37-M43 HydrophobicContact CB-CG 3.98Å; D37-M43 HydrophobicContact CB-SD 4.15Å
38K83.4Confident76.6Confident144 Ų14483.7 Ų83.763%0.62640%0.402SS*.THydrogen-bonded Turntrans-64.76.517472175.2-173.9178.40115T70K38-T70 WeakPolarHBondContact O-CG2 3.27Å
39Y83.8Confident75.2Confident138 Ų13890.7 Ų90.754%0.54143%0.427SS..THydrogen-bonded Turntrans-117.35.6173-55.5-78.4000111.3D37 R41D37-Y39 PolarHBondContact O-N 3.5Å; D37-Y39 VanDerWaalsContact OD1-C 3.26Å; D37-Y39 VanDerWaalsContact OD1-CA 3.23Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.31Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.4Å; D37-Y39 PolarHBondContact OD1-N 2.83Å; D37-Y39 WeakPolarHBondContact OD2-CD2 3.48Å; Y39-R41 VanDerWaalsContact C-N 3.29Å
40G85.3Confident73.9Confident0 Ų098 Ų980%045%0.451CS..SBendtrans74.816-178.200000113.7Y36 D37 L62 L63 W73Y36-G40 WeakPolarHBondContact CD1-O 3.45Å; D37-G40 PolarHBondContact O-N 2.89Å; D37-G40 PolarHBondContact OD1-N 3.13Å; G40-L62 CarbonylContact O-C 3.48Å; G40-L62 WeakPolarHBondContact O-CA 3.49Å; G40-L63 PolarHBondContact O-N 3.1Å; G40-W73 VanDerWaalsContact CA-CZ3 3.46Å
41R85.9Confident72.9Confident129 Ų12998.2 Ų98.249%0.48746%0.456SS..BIsolated β-bridgetrans-88.4132.3175.1-64.4177.4-72.7-163.7-5.7109.5Y36 D37 Y39 M43 L62Y36-R41 CarbonylContact C-O 3.58Å; Y36-R41 WeakPolarHBondContact CA-O 3.46Å; D37-R41 PolarHBondContact N-O 3.33Å; D37-R41 WeakPolarHBondContact OD1-CB 3.08Å; D37-R41 PolarHBondContact OD1-N 2.97Å; D37-R41 IonicContact OD1-NE 3.12Å; D37-R41 IonicContact OD2-CZ 3.35Å; D37-R41 IonicContact OD2-NE 3.47Å; D37-R41 PolarHBondContact OD2-NE 3.44Å; D37-R41 IonicContact OD2-NH2 2.73Å; D37-R41 PolarHBondContact OD2-NH2 3.42Å; Y39-R41 VanDerWaalsContact C-N 3.29Å; R41-M43 PolarHBondContact O-N 2.83Å; R41-L62 HydrophobicContact CG-CD1 3.69Å
42R84.4Confident71.6Confident61 Ų61100.9 Ų100.923%0.2347%0.47CS..BIsolated β-bridgetrans-62.7128.2178.3-160.6174.569.9-163.3-0.4110.4F35 Y36 D44 E56 M59 V61F35-R42 CarbonylContact O-C 3.24Å; F35-R42 WeakPolarHBondContact O-CA 3.36Å; Y36-R42 HydrophobicContact CD1-CB 4.09Å; Y36-R42 HydrophobicContact CE1-CB 3.85Å; Y36-R42 HydrophobicContact CE1-CG 4.16Å; R42-D44 WeakPolarHBondContact CD-OD2 3.46Å; R42-D44 HydrophobicContact CG-CB 4.42Å; R42-D44 WeakPolarHBondContact CG-OD2 3.38Å; R42-D44 IonicContact CZ-OD2 3.46Å; R42-D44 IonicContact NE-OD2 3.83Å; R42-D44 PolarHBondContact NE-OD2 3.24Å; R42-D44 PolarHBondContact O-N 2.89Å; R42-D44 VanDerWaalsContact O-N 3.12Å; R42-E56 PolarHBondContact NH1-O 2.73Å; R42-E56 VanDerWaalsContact NH1-O 3.14Å; R42-M59 PolarHBondContact NH1-O 3.45Å; R42-V61 PolarHBondContact N-O 3.49Å; R42-V61 VanDerWaalsContact N-O 3.12Å
43M77.7Confident70.4Confident89 Ų89102.7 Ų102.744%0.43848%0.478SS..  trans-81.721.3-172.2-64.3-166.9-68.500114.5D34 F35 Y36 D37 R41 E45D34-M43 WeakPolarHBondContact O-CE 3.38Å; F35-M43 PolarHBondContact O-N 3.11Å; Y36-M43 WeakPolarHBondContact O-CE 3.01Å; D37-M43 HydrophobicContact CB-CG 3.98Å; D37-M43 HydrophobicContact CB-SD 4.15Å; R41-M43 PolarHBondContact O-N 2.83Å; M43-E45 VanDerWaalsContact C-N 3.28Å; M43-E45 PolarHBondContact O-N 3.35Å
44D64.1Low69.2Low34 Ų34106.5 Ų106.518%0.18250%0.498CS..G310 helixtrans-791.3-166.9-79.3-32.1000116.3R42 K46 K53 E56R42-D44 WeakPolarHBondContact CD-OD2 3.46Å; R42-D44 HydrophobicContact CG-CB 4.42Å; R42-D44 WeakPolarHBondContact CG-OD2 3.38Å; R42-D44 IonicContact CZ-OD2 3.46Å; R42-D44 IonicContact NE-OD2 3.83Å; R42-D44 PolarHBondContact NE-OD2 3.24Å; R42-D44 PolarHBondContact O-N 2.89Å; R42-D44 VanDerWaalsContact O-N 3.12Å; D44-K46 PolarHBondContact O-N 2.84Å; D44-K53 IonicContact OD1-NZ 3.5Å; D44-K53 PolarHBondContact OD1-NZ 2.95Å; D44-E56 VanDerWaalsContact OD1-OE2 3.11Å
45E57.3Low68.1Low196 Ų196107.3 Ų107.392%0.91650%0.502SS*.G310 helixtrans-72.1-9.5179.6-65.5-172.717100113.7M43M43-E45 VanDerWaalsContact C-N 3.28Å; M43-E45 PolarHBondContact O-N 3.35Å
46K53.3Low67.3Low190 Ų190106.1 Ų106.183%0.82650%0.497SS*.G310 helixtrans-107.7-1.1-171.4-68.3-173178.7-179.30116.8D44D44-K46 PolarHBondContact O-N 2.84Å
47F52.3Low66.7Low127 Ų127111 Ų11156%0.55752%0.524SS*.  trans-102.9116.1-177.3-73.9-81000112.7R49 K53F47-R49 PolarHBondContact O-N 3.48Å; F47-R49 VanDerWaalsContact O-N 3.1Å; F47-K53 HydrophobicContact CB-CD 4.21Å; F47-K53 VanDerWaalsContact CB-CE 3.46Å
48P52.4Low66.6Low125 Ų125109.4 Ų109.481%0.81252%0.516SS*.SBendtrans-73.5-1.5-170.425.5-32.5000115.6
49R55.6Low66.7Low189 Ų189102.6 Ų102.671%0.71349%0.486SS*.  trans-113.175.2-177.3-65.3-173.3-175.5179.91.8112.1F47 V51 L52F47-R49 PolarHBondContact O-N 3.48Å; F47-R49 VanDerWaalsContact O-N 3.1Å; R49-V51 VanDerWaalsContact C-N 3.28Å; R49-V51 PolarHBondContact O-N 3.27Å; R49-L52 HydrophobicContact CB-CD1 4.27Å; R49-L52 PolarHBondContact O-N 2.82Å
50K54.1Low66.9Low183 Ų18396.3 Ų96.380%0.79646%0.462SS*.G310 helixtrans-59.1-29.1-175.4-63.4-177.2179-178.40114.9K53K50-K53 PolarHBondContact O-N 3.24Å
51V53.1Low66.9Low124 Ų124100.9 Ų100.975%0.75249%0.49SS*.G310 helixtrans-76.9-26.9-174.5-179.30000113.2R49 K53R49-V51 VanDerWaalsContact C-N 3.28Å; R49-V51 PolarHBondContact O-N 3.27Å; V51-K53 PolarHBondContact O-N 2.73Å
52L51.9Low66.9Low140 Ų14099.6 Ų99.673%0.73349%0.492SS*.G310 helixtrans-76.9-7.5178.2-67172.9000113.2R49R49-L52 HydrophobicContact CB-CD1 4.27Å; R49-L52 PolarHBondContact O-N 2.82Å
53K60.5Low67Low39 Ų3996.8 Ų96.817%0.1748%0.482CS..G310 helixtrans-106.217.1-171.9-72.5178.9152.2-102.70113.2D44 F47 K50 V51 N55 E56D44-K53 IonicContact OD1-NZ 3.5Å; D44-K53 PolarHBondContact OD1-NZ 2.95Å; F47-K53 HydrophobicContact CB-CD 4.21Å; F47-K53 VanDerWaalsContact CB-CE 3.46Å; K50-K53 PolarHBondContact O-N 3.24Å; V51-K53 PolarHBondContact O-N 2.73Å; K53-N55 PolarHBondContact O-N 3.19Å; K53-N55 VanDerWaalsContact O-N 3.1Å; K53-E56 HydrophobicContact CB-CB 4.36Å; K53-E56 HydrophobicContact CB-CG 4.06Å; K53-E56 VanDerWaalsContact CB-OE2 3.25Å; K53-E56 WeakPolarHBondContact CB-OE2 3.49Å; K53-E56 WeakPolarHBondContact CD-OE2 3.27Å; K53-E56 VanDerWaalsContact CE-OE1 3.29Å; K53-E56 WeakPolarHBondContact CE-OE1 3.26Å; K53-E56 WeakPolarHBondContact CE-OE2 3.48Å; K53-E56 HydrophobicContact CG-CG 4.34Å; K53-E56 WeakPolarHBondContact CG-OE1 3.31Å; K53-E56 WeakPolarHBondContact CG-OE2 3.38Å; K53-E56 IonicContact NZ-OE1 3.66Å; K53-E56 PolarHBondContact NZ-OE1 2.81Å; K53-E56 IonicContact NZ-OE2 3.23Å; K53-E56 PolarHBondContact NZ-OE2 3.22Å; K53-E56 WeakPolarHBondContact O-CA 3.34Å; K53-E56 VanDerWaalsContact O-CB 3.24Å; K53-E56 WeakPolarHBondContact O-CB 3.34Å; K53-E56 PolarHBondContact O-N 3.23Å
54L58.6Low67.2Low114 Ų11493.6 Ų93.660%0.59747%0.468SS*.G310 helixtrans-53.3-34.8178.3-75.1174.3000112.7E56 L57L54-E56 PolarHBondContact O-N 3.4Å; L54-L57 HydrophobicContact CD2-CD1 3.82Å; L54-L57 WeakPolarHBondContact O-CB 3.26Å; L54-L57 WeakPolarHBondContact O-CG 3.2Å; L54-L57 PolarHBondContact O-N 3.44Å; L54-L57 VanDerWaalsContact O-N 3.15Å
55N61.3Low67.7Low128 Ų12897.8 Ų97.868%0.68448%0.484SS*.G310 helixtrans-59.6-34.5174.7-69.5-12000111.9F28 K53 L57 G58F28-N55 HydrophobicContact CE1-CB 4.13Å; F28-N55 WeakPolarHBondContact CE1-O 3.33Å; F28-N55 WeakPolarHBondContact CZ-O 3.38Å; K53-N55 PolarHBondContact O-N 3.19Å; K53-N55 VanDerWaalsContact O-N 3.1Å; N55-L57 PolarHBondContact O-N 3.36Å; N55-G58 PolarHBondContact O-N 2.95Å
56E67.1Low68.5Low27 Ų2789.6 Ų89.613%0.12645%0.445CS..G310 helixtrans-71-13.2-179.8-55.1177.2175.800113.2F35 R42 D44 K53 L54 G58 M59F35-E56 HydrophobicContact CE1-CG 4.43Å; F35-E56 WeakPolarHBondContact CE1-OE1 3.41Å; R42-E56 PolarHBondContact NH1-O 2.73Å; R42-E56 VanDerWaalsContact NH1-O 3.14Å; D44-E56 VanDerWaalsContact OD1-OE2 3.11Å; K53-E56 HydrophobicContact CB-CB 4.36Å; K53-E56 HydrophobicContact CB-CG 4.06Å; K53-E56 VanDerWaalsContact CB-OE2 3.25Å; K53-E56 WeakPolarHBondContact CB-OE2 3.49Å; K53-E56 WeakPolarHBondContact CD-OE2 3.27Å; K53-E56 VanDerWaalsContact CE-OE1 3.29Å; K53-E56 WeakPolarHBondContact CE-OE1 3.26Å; K53-E56 WeakPolarHBondContact CE-OE2 3.48Å; K53-E56 HydrophobicContact CG-CG 4.34Å; K53-E56 WeakPolarHBondContact CG-OE1 3.31Å; K53-E56 WeakPolarHBondContact CG-OE2 3.38Å; K53-E56 IonicContact NZ-OE1 3.66Å; K53-E56 PolarHBondContact NZ-OE1 2.81Å; K53-E56 IonicContact NZ-OE2 3.23Å; K53-E56 PolarHBondContact NZ-OE2 3.22Å; K53-E56 WeakPolarHBondContact O-CA 3.34Å; K53-E56 VanDerWaalsContact O-CB 3.24Å; K53-E56 WeakPolarHBondContact O-CB 3.34Å; K53-E56 PolarHBondContact O-N 3.23Å; L54-E56 PolarHBondContact O-N 3.4Å; E56-G58 PolarHBondContact O-N 3.01Å; E56-M59 VanDerWaalsContact O-CB 3.28Å; E56-M59 WeakPolarHBondContact O-CB 3.28Å; E56-M59 PolarHBondContact O-N 2.73Å
57L73.7Confident69Low117 Ų11788 Ų8861%0.61344%0.438SS*.G310 helixtrans-62.9-21.6171.5-63.8177000112.3L54 N55 M59L54-L57 HydrophobicContact CD2-CD1 3.82Å; L54-L57 WeakPolarHBondContact O-CB 3.26Å; L54-L57 WeakPolarHBondContact O-CG 3.2Å; L54-L57 PolarHBondContact O-N 3.44Å; L54-L57 VanDerWaalsContact O-N 3.15Å; N55-L57 PolarHBondContact O-N 3.36Å; L57-M59 VanDerWaalsContact C-N 3.32Å
58G83Confident69.5Low3 Ų386 Ų863%0.03143%0.431CS..G310 helixtrans-78.4-10.6171.600000114.2N55 E56 S80 E81N55-G58 PolarHBondContact O-N 2.95Å; E56-G58 PolarHBondContact O-N 3.01Å; G58-S80 CarbonylContact O-C 3.6Å; G58-S80 VanDerWaalsContact O-CA 3.23Å; G58-S80 WeakPolarHBondContact O-CA 3.15Å; G58-S80 WeakPolarHBondContact O-CB 3.4Å; G58-E81 PolarHBondContact O-N 2.82Å
59M85.8Confident69.9Low1 Ų181.6 Ų81.61%0.00541%0.408CS..SBendtrans-82137.6179.4-71.6-71-159.100111.2V24 F28 W32 F35 Y36 R42 E56 L57V24-M59 HydrophobicContact CB-SD 4.02Å; V24-M59 HydrophobicContact CG1-SD 3.92Å; F28-M59 HydrophobicContact CB-CE 3.47Å; F28-M59 VanDerWaalsContact CB-CE 3.47Å; F28-M59 HydrophobicContact CD1-CE 3.84Å; F28-M59 HydrophobicContact CD2-CE 3.16Å; F28-M59 HydrophobicContact CD2-CG 4.13Å; F28-M59 HydrophobicContact CD2-SD 3.3Å; F28-M59 WeakPolarHBondContact CD2-SD 3.18Å; F28-M59 HydrophobicContact CE1-CE 4.38Å; F28-M59 HydrophobicContact CE2-CE 3.8Å; F28-M59 HydrophobicContact CE2-CG 3.76Å; F28-M59 HydrophobicContact CE2-SD 3.43Å; F28-M59 WeakPolarHBondContact CE2-SD 3.19Å; F28-M59 HydrophobicContact CG-CE 3.19Å; F28-M59 HydrophobicContact CG-SD 4Å; F28-M59 HydrophobicContact CZ-CE 4.36Å; F28-M59 HydrophobicContact CZ-CG 3.98Å; F28-M59 HydrophobicContact CZ-SD 4.22Å; W32-M59 HydrophobicContact CB-CE 3.79Å; F35-M59 HydrophobicContact CD2-CE 4Å; F35-M59 HydrophobicContact CE2-CE 4.3Å; F35-M59 HydrophobicContact CG-CE 4.45Å; Y36-M59 HydrophobicContact CE2-SD 4.39Å; Y36-M59 WeakPolarHBondContact OH-CB 3.41Å; R42-M59 PolarHBondContact NH1-O 3.45Å; E56-M59 VanDerWaalsContact O-CB 3.28Å; E56-M59 WeakPolarHBondContact O-CB 3.28Å; E56-M59 PolarHBondContact O-N 2.73Å; L57-M59 VanDerWaalsContact C-N 3.32Å
60P88.2Confident70.2Confident7 Ų774.4 Ų74.45%0.04539%0.385CS..  trans-51.6140.4169.6-28.534.9000113.5V24 Y36 L62 L63 P78 L79 E81V24-P60 HydrophobicContact CG1-CG 4.3Å; Y36-P60 VanDerWaalsContact CE1-O 3.26Å; Y36-P60 WeakPolarHBondContact CE1-O 2.98Å; Y36-P60 VanDerWaalsContact OH-CD 3.29Å; Y36-P60 WeakPolarHBondContact OH-CD 3.39Å; Y36-P60 PolarHBondContact OH-O 3.25Å; P60-L62 VanDerWaalsContact C-N 3.32Å; P60-L63 HydrophobicContact CB-CD2 4.3Å; P60-L63 HydrophobicContact CG-CD2 4.49Å; P60-P78 HydrophobicContact CG-CG 4.17Å; P60-L79 WeakPolarHBondContact CG-O 3.33Å; P60-E81 VanDerWaalsContact CA-OE1 3.31Å; P60-E81 WeakPolarHBondContact CA-OE1 3.3Å
61V84.9Confident70.9Confident96 Ų9671.3 Ų71.358%0.58237%0.374SS*.SBendtrans-70.1-37.7173.9177.80000110.5R42R42-V61 PolarHBondContact N-O 3.49Å; R42-V61 VanDerWaalsContact N-O 3.12Å
62L86.4Confident72Confident101 Ų10166.5 Ų66.553%0.52934%0.343SS..BIsolated β-bridgetrans-134.7127.4179.3-178.468.2000108.9G40 R41 P60G40-L62 CarbonylContact O-C 3.48Å; G40-L62 WeakPolarHBondContact O-CA 3.49Å; R41-L62 HydrophobicContact CG-CD1 3.69Å; P60-L62 VanDerWaalsContact C-N 3.32Å
63L86.8Confident73.4Confident3 Ų360.2 Ų60.22%0.01631%0.31CS..PPolyproline II helixtrans-72.6145.6173.6-60.3177.9000110.6W32 I33 Y36 G40 P60 K65 W73 P78W32-L63 HydrophobicContact CH2-CD1 4.3Å; W32-L63 HydrophobicContact CH2-CD2 4.28Å; W32-L63 HydrophobicContact CZ3-CD1 3.95Å; W32-L63 HydrophobicContact CZ3-CD2 3.77Å; I33-L63 HydrophobicContact CD1-CD1 4.18Å; Y36-L63 HydrophobicContact CD1-CD1 3.69Å; Y36-L63 HydrophobicContact CD1-CD2 4.13Å; Y36-L63 HydrophobicContact CD1-CG 3.56Å; Y36-L63 HydrophobicContact CD2-CD1 4Å; Y36-L63 HydrophobicContact CD2-CG 4.49Å; Y36-L63 HydrophobicContact CE1-CD1 4.08Å; Y36-L63 HydrophobicContact CE1-CD2 3.64Å; Y36-L63 HydrophobicContact CE1-CG 3.55Å; Y36-L63 HydrophobicContact CE2-CD1 4.39Å; Y36-L63 HydrophobicContact CE2-CD2 4.18Å; Y36-L63 HydrophobicContact CG-CD1 3.62Å; Y36-L63 HydrophobicContact CG-CG 4.04Å; G40-L63 PolarHBondContact O-N 3.1Å; P60-L63 HydrophobicContact CB-CD2 4.3Å; P60-L63 HydrophobicContact CG-CD2 4.49Å; L63-K65 PolarHBondContact O-N 3.13Å; L63-W73 HydrophobicContact CB-CD2 4.06Å; L63-W73 HydrophobicContact CB-CH2 4.19Å; L63-W73 HydrophobicContact CB-CZ2 3.65Å; L63-W73 HydrophobicContact CD1-CB 4.4Å; L63-W73 HydrophobicContact CD1-CD2 3.44Å; L63-W73 VanDerWaalsContact CD1-CD2 3.44Å; L63-W73 HydrophobicContact CD1-CE3 3.43Å; L63-W73 VanDerWaalsContact CD1-CE3 3.43Å; L63-W73 HydrophobicContact CD1-CG 3.82Å; L63-W73 HydrophobicContact CD1-CH2 4.33Å; L63-W73 HydrophobicContact CD1-CZ2 4.33Å; L63-W73 HydrophobicContact CD1-CZ3 3.84Å; L63-W73 HydrophobicContact CG-CD2 4.37Å; L63-P78 HydrophobicContact CD2-CG 3.8Å
64P81.9Confident74.5Confident21 Ų2160.9 Ų60.914%0.13632%0.315CS..PPolyproline II helixtrans-59.2137.4175.6-22.633.6000111R66 W73 L114 I165P64-R66 PolarHBondContact O-N 3.49Å; P64-W73 WeakPolarHBondContact O-CZ2 3.33Å; P64-W73 PolarHBondContact O-NE1 2.91Å; P64-L114 HydrophobicContact CG-CD2 4.18Å; P64-I165 HydrophobicContact CB-CD1 3.61Å; P64-I165 HydrophobicContact CB-CG1 4.37Å; P64-I165 HydrophobicContact CG-CD1 3.98Å
65K74.5Confident75.5Confident122 Ų12258.1 Ų58.153%0.5330%0.298SS..PPolyproline II helixtrans-60.6138-179-60.9-175.4178.1179.60110.6L63 Y160L63-K65 PolarHBondContact O-N 3.13Å; K65-Y160 HydrophobicContact CB-CD1 4.5Å; K65-Y160 HydrophobicContact CB-CE1 3.72Å; K65-Y160 HydrophobicContact CD-CE1 4.12Å; K65-Y160 WeakPolarHBondContact CD-OH 3.5Å
66R73.3Confident76.6Confident25 Ų2552.4 Ų52.49%0.09427%0.268CS..  trans-121.3149174.3-67.8-176.2173.4-121.8-16.3109.9P64 N72 D76 T161P64-R66 PolarHBondContact O-N 3.49Å; R66-N72 PolarHBondContact NH1-O 3.39Å; R66-D76 IonicContact CZ-OD2 2.73Å; R66-D76 IonicContact NH1-OD2 3.96Å; R66-D76 PolarHBondContact NH2-O 3.43Å; R66-D76 IonicContact NH2-OD2 2.9Å; R66-D76 PolarHBondContact NH2-OD2 3.17Å; R66-T161 HydrophobicContact CG-CG2 4.45Å
67F64.4Low77.6Confident155 Ų15551.3 Ų51.368%0.6826%0.263SS*.SBendtrans-70.8-41.2175.8-172.6-99.8000111.6G69F67-G69 PolarHBondContact O-N 3.42Å
68E62.3Low78.4Confident86 Ų8645.8 Ų45.840%0.40223%0.234SC..SBendtrans-97.652.1-169.2-62.3-176.1172.500113N72E68-N72 WeakPolarHBondContact CB-ND2 3.15Å; E68-N72 PolarHBondContact O-ND2 2.89Å; E68-N72 PolarHBondContact OE2-ND2 2.82Å
69G61.3Low78.9Confident32 Ų3245.7 Ų45.733%0.3323%0.233SC..  trans69.3176.1173.800000114.8F67 E71F67-G69 PolarHBondContact O-N 3.42Å; G69-E71 VanDerWaalsContact C-OE2 3.29Å; G69-E71 WeakPolarHBondContact CA-OE2 3.38Å
70T61.9Low79.2Confident39 Ų3945.6 Ų45.624%0.23923%0.232CC..SBendtrans-86.5-21.9-171.351.40000113.6K38 N72 W73K38-T70 WeakPolarHBondContact O-CG2 3.27Å; T70-N72 PolarHBondContact O-N 3.42Å; T70-N72 VanDerWaalsContact O-N 3.16Å; T70-W73 VanDerWaalsContact CA-CZ3 3.46Å; T70-W73 HydrophobicContact CG2-CE3 4.05Å; T70-W73 HydrophobicContact CG2-CH2 3.36Å; T70-W73 HydrophobicContact CG2-CZ3 3.1Å; T70-W73 PolarHBondContact O-N 2.86Å
71E68.3Low79.4Confident118 Ų11848.2 Ų48.255%0.55124%0.244SC*.G310 helixtrans-57.5-27.817660.6-84.2-163.100112.5G69 W73 I74G69-E71 VanDerWaalsContact C-OE2 3.29Å; G69-E71 WeakPolarHBondContact CA-OE2 3.38Å; E71-W73 VanDerWaalsContact C-N 3.31Å; E71-W73 PolarHBondContact O-N 2.65Å; E71-I74 VanDerWaalsContact O-CG2 3.25Å; E71-I74 WeakPolarHBondContact O-CG2 3.5Å
72N77.2Confident79.7Confident22 Ų2247.7 Ų47.712%0.11824%0.237CC..G310 helixtrans-80.3-9.6-171.6-89.8-31.3000114.7R66 E68 T70 I74 F75 V153R66-N72 PolarHBondContact NH1-O 3.39Å; E68-N72 WeakPolarHBondContact CB-ND2 3.15Å; E68-N72 PolarHBondContact O-ND2 2.89Å; E68-N72 PolarHBondContact OE2-ND2 2.82Å; T70-N72 PolarHBondContact O-N 3.42Å; T70-N72 VanDerWaalsContact O-N 3.16Å; N72-I74 VanDerWaalsContact C-N 3.29Å; N72-I74 PolarHBondContact O-N 3.45Å; N72-F75 PolarHBondContact O-N 3.09Å; N72-V153 HydrophobicContact CB-CG1 4.19Å; N72-V153 HydrophobicContact CB-CG2 3.88Å
73W81.4Confident80.1Confident9 Ų942.9 Ų42.93%0.03421%0.212CC..G310 helixtrans-63.9-36.7175.3-79.4-56.8000112.1W32 I33 G40 L63 P64 T70 E71 F75 D76W32-W73 HydrophobicContact CH2-CB 3.7Å; W32-W73 HydrophobicContact CH2-CG 4.41Å; W32-W73 HydrophobicContact CZ2-CB 4.07Å; W32-W73 WeakPolarHBondContact CZ2-O 3.29Å; I33-W73 HydrophobicContact CD1-CB 3.68Å; I33-W73 HydrophobicContact CD1-CE3 4.07Å; I33-W73 HydrophobicContact CD1-CG 4.47Å; G40-W73 VanDerWaalsContact CA-CZ3 3.46Å; L63-W73 HydrophobicContact CB-CD2 4.06Å; L63-W73 HydrophobicContact CB-CH2 4.19Å; L63-W73 HydrophobicContact CB-CZ2 3.65Å; L63-W73 HydrophobicContact CD1-CB 4.4Å; L63-W73 HydrophobicContact CD1-CD2 3.44Å; L63-W73 VanDerWaalsContact CD1-CD2 3.44Å; L63-W73 HydrophobicContact CD1-CE3 3.43Å; L63-W73 VanDerWaalsContact CD1-CE3 3.43Å; L63-W73 HydrophobicContact CD1-CG 3.82Å; L63-W73 HydrophobicContact CD1-CH2 4.33Å; L63-W73 HydrophobicContact CD1-CZ2 4.33Å; L63-W73 HydrophobicContact CD1-CZ3 3.84Å; L63-W73 HydrophobicContact CG-CD2 4.37Å; P64-W73 WeakPolarHBondContact O-CZ2 3.33Å; P64-W73 PolarHBondContact O-NE1 2.91Å; T70-W73 VanDerWaalsContact CA-CZ3 3.46Å; T70-W73 HydrophobicContact CG2-CE3 4.05Å; T70-W73 HydrophobicContact CG2-CH2 3.36Å; T70-W73 HydrophobicContact CG2-CZ3 3.1Å; T70-W73 PolarHBondContact O-N 2.86Å; E71-W73 VanDerWaalsContact C-N 3.31Å; E71-W73 PolarHBondContact O-N 2.65Å; W73-F75 PolarHBondContact O-N 3.46Å; W73-F75 VanDerWaalsContact O-N 3.1Å; W73-D76 CarbonylContact O-C 3.56Å; W73-D76 VanDerWaalsContact O-C 3.24Å; W73-D76 PolarHBondContact O-N 3.3Å
74I82.1Confident80.4Confident53 Ų5344.1 Ų44.127%0.27222%0.22SC..G310 helixtrans-58.8-28.1-177.9-160.5174.7000112.7I33 E71 N72 H147I33-I74 HydrophobicContact CG2-CD1 4.25Å; E71-I74 VanDerWaalsContact O-CG2 3.25Å; E71-I74 WeakPolarHBondContact O-CG2 3.5Å; N72-I74 VanDerWaalsContact C-N 3.29Å; N72-I74 PolarHBondContact O-N 3.45Å; I74-H147 PolarHBondContact O-CE1 3.19Å; I74-H147 PolarHBondContact O-NE2 3.19Å
75F80.9Confident81Confident55 Ų5549 Ų4924%0.24124%0.242CC..G310 helixtrans-90.7-11.2-178-55.5-57000114.2N72 W73 H147 Y150 V153N72-F75 PolarHBondContact O-N 3.09Å; W73-F75 PolarHBondContact O-N 3.46Å; W73-F75 VanDerWaalsContact O-N 3.1Å; F75-H147 HydrophobicContact CD1-CB 4.19Å; F75-H147 PolarHBondContact O-CD2 3.28Å; F75-Y150 AromaticContact CD1-CD2 3.95Å; F75-Y150 HydrophobicContact CD1-CD2 3.95Å; F75-Y150 HydrophobicContact CD1-CG 4.46Å; F75-Y150 HydrophobicContact CD2-CD2 4.44Å; F75-Y150 HydrophobicContact CD2-CG 4.48Å; F75-Y150 AromaticContact CE1-CD2 3.34Å; F75-Y150 HydrophobicContact CE1-CD2 3.34Å; F75-Y150 AromaticContact CE1-CE2 3.89Å; F75-Y150 HydrophobicContact CE1-CE2 3.89Å; F75-Y150 HydrophobicContact CE1-CG 4.2Å; F75-Y150 AromaticContact CE2-CD2 3.9Å; F75-Y150 HydrophobicContact CE2-CD2 3.9Å; F75-Y150 HydrophobicContact CE2-CE2 4.24Å; F75-Y150 HydrophobicContact CE2-CG 4.22Å; F75-Y150 HydrophobicContact CG-CD2 4.47Å; F75-Y150 AromaticContact CZ-CD2 3.31Å; F75-Y150 HydrophobicContact CZ-CD2 3.31Å; F75-Y150 AromaticContact CZ-CE2 3.52Å; F75-Y150 HydrophobicContact CZ-CE2 3.52Å; F75-Y150 HydrophobicContact CZ-CG 4.08Å; F75-V153 HydrophobicContact CB-CG2 4.48Å
76D84.3Confident82Confident9 Ų947.7 Ų47.75%0.04824%0.236CC..SBendtrans-152.369.1-179.1-177.546000109.9R66 W73 C113 L114R66-D76 IonicContact CZ-OD2 2.73Å; R66-D76 IonicContact NH1-OD2 3.96Å; R66-D76 PolarHBondContact NH2-O 3.43Å; R66-D76 IonicContact NH2-OD2 2.9Å; R66-D76 PolarHBondContact NH2-OD2 3.17Å; W73-D76 CarbonylContact O-C 3.56Å; W73-D76 VanDerWaalsContact O-C 3.24Å; W73-D76 PolarHBondContact O-N 3.3Å; D76-C113 WeakPolarHBondContact OD1-CA 3.38Å; D76-L114 PolarHBondContact OD1-N 3.04Å; D76-L114 VanDerWaalsContact OD2-CB 3.26Å; D76-L114 WeakPolarHBondContact OD2-CB 3.45Å; D76-L114 PolarHBondContact OD2-N 3.47Å
77P88.1Confident83Confident4 Ų446.5 Ų46.53%0.02623%0.232CC..PPolyproline II helixtrans-64.7144.7-17223.1-32.1000112.3V24 D25 W32V24-P77 HydrophobicContact CG2-CB 3.77Å; D25-P77 HydrophobicContact CB-CB 4.06Å; D25-P77 HydrophobicContact CB-CG 3.83Å; D25-P77 WeakPolarHBondContact OD1-CG 3.01Å; W32-P77 HydrophobicContact CH2-CB 4.38Å; W32-P77 HydrophobicContact CZ2-CB 3.64Å
78P90.2Very high84.5Confident0 Ų041 Ų410%021%0.208CC..PPolyproline II helixtrans-71.7169.4173.932.9-37.3000112.1S23 V24 W32 P60 L63 L114 Q118S23-P78 CarbonylContact C-O 3.59Å; S23-P78 WeakPolarHBondContact CA-O 3.09Å; S23-P78 VanDerWaalsContact CB-O 3.3Å; S23-P78 WeakPolarHBondContact CB-O 3.44Å; V24-P78 HydrophobicContact CG1-CG 4.39Å; V24-P78 HydrophobicContact CG2-CG 3.99Å; V24-P78 PolarHBondContact N-O 3.27Å; W32-P78 HydrophobicContact CH2-CG 4.34Å; P60-P78 HydrophobicContact CG-CG 4.17Å; L63-P78 HydrophobicContact CD2-CG 3.8Å; P78-L114 HydrophobicContact CB-CD2 3.88Å; P78-L114 HydrophobicContact CB-CG 4.48Å; P78-Q118 VanDerWaalsContact CA-OE1 3.22Å
79L93.1Very high86Confident1 Ų140.8 Ų40.81%0.00521%0.207CC..BIsolated β-bridgetrans-58.5149.6161.3-66.5-171.7000111.5A21 P60 V84 C115 Q118A21-L79 HydrophobicContact CB-CD1 4.27Å; A21-L79 HydrophobicContact CB-CD2 3.86Å; A21-L79 WeakPolarHBondContact O-CD2 3.41Å; P60-L79 WeakPolarHBondContact CG-O 3.33Å; L79-V84 HydrophobicContact CB-CG2 3.96Å; L79-V84 HydrophobicContact CD1-CG2 4.34Å; L79-C115 HydrophobicContact CD2-CB 3.75Å; L79-C115 HydrophobicContact CG-CB 4.42Å; L79-Q118 HydrophobicContact CD1-CB 3.66Å; L79-Q118 HydrophobicContact CG-CB 3.79Å
80S92.4Very high87.6Confident0 Ų040.9 Ų40.90%020%0.2CC..PPolyproline II helixtrans-69157.8162.277.20000111E22 I27 G58 I82 S83 V84E22-S80 PolarHBondContact O-N 3.47Å; I27-S80 WeakPolarHBondContact CD1-OG 3.36Å; G58-S80 CarbonylContact O-C 3.6Å; G58-S80 VanDerWaalsContact O-CA 3.23Å; G58-S80 WeakPolarHBondContact O-CA 3.15Å; G58-S80 WeakPolarHBondContact O-CB 3.4Å; S80-I82 PolarHBondContact O-N 2.82Å; S80-S83 CarbonylContact O-C 3.54Å; S80-S83 WeakPolarHBondContact O-CA 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.37Å; S80-S83 PolarHBondContact O-N 2.8Å; S80-S83 VanDerWaalsContact OG-CB 3.29Å; S80-S83 WeakPolarHBondContact OG-CB 3.3Å; S80-S83 PolarHBondContact OG-N 2.81Å; S80-S83 PolarHBondContact OG-OG 2.79Å; S80-V84 WeakPolarHBondContact O-CG2 3.34Å; S80-V84 PolarHBondContact O-N 2.85Å
81E91.2Very high89.1Confident61 Ų6139 Ų3929%0.28519%0.188SC..Hα-helixtrans-57.3-40174.1-71.3-63.6159.100111.6G58 P60 S83 V84 M85G58-E81 PolarHBondContact O-N 2.82Å; P60-E81 VanDerWaalsContact CA-OE1 3.31Å; P60-E81 WeakPolarHBondContact CA-OE1 3.3Å; E81-S83 VanDerWaalsContact C-N 3.3Å; E81-S83 PolarHBondContact O-N 3.21Å; E81-V84 WeakPolarHBondContact O-CB 3.39Å; E81-V84 PolarHBondContact O-N 2.99Å; E81-M85 WeakPolarHBondContact O-CG 3.35Å; E81-M85 PolarHBondContact O-N 3.05Å
82I92.3Very high90.4Very high85 Ų8537 Ų3744%0.43618%0.178SC..Hα-helixtrans-62.7-40.2175.1-63.4172.4000110.5S80 M85 K86S80-I82 PolarHBondContact O-N 2.82Å; I82-M85 PolarHBondContact O-N 2.9Å; I82-K86 HydrophobicContact CG2-CD 4.11Å; I82-K86 HydrophobicContact CG2-CG 4.37Å; I82-K86 WeakPolarHBondContact O-CB 3.21Å; I82-K86 VanDerWaalsContact O-CG 3.32Å; I82-K86 WeakPolarHBondContact O-CG 3.24Å; I82-K86 PolarHBondContact O-N 3.39Å
83S94.5Very high91.1Very high1 Ų140.7 Ų40.71%0.00719%0.194CC..Hα-helixtrans-69.3-35.5178.2-72.20000112.7E22 S80 E81 K86 S87E22-S83 WeakPolarHBondContact CA-OG 3.43Å; E22-S83 WeakPolarHBondContact CB-OG 3.34Å; E22-S83 PolarHBondContact N-OG 3.24Å; E22-S83 VanDerWaalsContact N-OG 3.1Å; E22-S83 WeakPolarHBondContact O-CB 3.48Å; E22-S83 PolarHBondContact O-OG 3.35Å; S80-S83 CarbonylContact O-C 3.54Å; S80-S83 WeakPolarHBondContact O-CA 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.37Å; S80-S83 PolarHBondContact O-N 2.8Å; S80-S83 VanDerWaalsContact OG-CB 3.29Å; S80-S83 WeakPolarHBondContact OG-CB 3.3Å; S80-S83 PolarHBondContact OG-N 2.81Å; S80-S83 PolarHBondContact OG-OG 2.79Å; E81-S83 VanDerWaalsContact C-N 3.3Å; E81-S83 PolarHBondContact O-N 3.21Å; S83-K86 PolarHBondContact O-N 2.84Å; S83-S87 VanDerWaalsContact O-CB 3.3Å; S83-S87 WeakPolarHBondContact O-CB 3.34Å; S83-S87 PolarHBondContact O-N 3.13Å; S83-S87 PolarHBondContact O-OG 3.17Å
84V94Very high91.6Very high29 Ų2941.8 Ų41.818%0.17620%0.2CC..Hα-helixtrans-58.3-50.6170.9168.80000109.5L79 S80 E81 S87 E88L79-V84 HydrophobicContact CB-CG2 3.96Å; L79-V84 HydrophobicContact CD1-CG2 4.34Å; S80-V84 WeakPolarHBondContact O-CG2 3.34Å; S80-V84 PolarHBondContact O-N 2.85Å; E81-V84 WeakPolarHBondContact O-CB 3.39Å; E81-V84 PolarHBondContact O-N 2.99Å; V84-S87 PolarHBondContact O-N 3.38Å; V84-E88 WeakPolarHBondContact O-CB 3.49Å; V84-E88 PolarHBondContact O-N 3.12Å
85M93.9Very high92Very high123 Ų12344.1 Ų44.161%0.60621%0.208SC*.Hα-helixtrans-60.6-47.2177.3-64.2175.9-165.300112.5E81 I82 S87 E88 E89E81-M85 WeakPolarHBondContact O-CG 3.35Å; E81-M85 PolarHBondContact O-N 3.05Å; I82-M85 PolarHBondContact O-N 2.9Å; M85-S87 VanDerWaalsContact C-N 3.31Å; M85-S87 PolarHBondContact O-N 2.93Å; M85-E88 PolarHBondContact O-N 2.78Å; M85-E89 WeakPolarHBondContact O-CB 3.43Å; M85-E89 PolarHBondContact O-N 3.2Å
86K94.5Very high92.6Very high95 Ų9548.5 Ų48.541%0.41322%0.223SC..Hα-helixtrans-58.4-43.1177.4-76173.9178.1175.70111.8E22 I82 S83 E89 I90 L249E22-K86 IonicContact OE2-NZ 2.65Å; I82-K86 HydrophobicContact CG2-CD 4.11Å; I82-K86 HydrophobicContact CG2-CG 4.37Å; I82-K86 WeakPolarHBondContact O-CB 3.21Å; I82-K86 VanDerWaalsContact O-CG 3.32Å; I82-K86 WeakPolarHBondContact O-CG 3.24Å; I82-K86 PolarHBondContact O-N 3.39Å; S83-K86 PolarHBondContact O-N 2.84Å; K86-E89 PolarHBondContact O-N 3.44Å; K86-I90 PolarHBondContact O-N 3.27Å; K86-L249 HydrophobicContact CB-CD1 3.93Å
87S94.5Very high92.9Very high0 Ų053.7 Ų53.70%025%0.25CS..Hα-helixtrans-69.4-40.5-178-55.60000111.3A21 S83 V84 M85 I90 G91 C122 I123A21-S87 WeakPolarHBondContact CB-OG 3.3Å; S83-S87 VanDerWaalsContact O-CB 3.3Å; S83-S87 WeakPolarHBondContact O-CB 3.34Å; S83-S87 PolarHBondContact O-N 3.13Å; S83-S87 PolarHBondContact O-OG 3.17Å; V84-S87 PolarHBondContact O-N 3.38Å; M85-S87 VanDerWaalsContact C-N 3.31Å; M85-S87 PolarHBondContact O-N 2.93Å; S87-I90 PolarHBondContact O-N 3.05Å; S87-G91 PolarHBondContact O-N 2.86Å; S87-C122 VanDerWaalsContact CB-CB 3.46Å; S87-I123 VanDerWaalsContact O-CG1 3.24Å; S87-I123 WeakPolarHBondContact O-CG1 3.25Å
88E95.8Very high93Very high38 Ų3860.5 Ų60.518%0.17829%0.286CS..Hα-helixtrans-66.9-37.9174.4-169.7-174.5158.600112.5V84 M85 I90 G91 K92 C122 R125 G126V84-E88 WeakPolarHBondContact O-CB 3.49Å; V84-E88 PolarHBondContact O-N 3.12Å; M85-E88 PolarHBondContact O-N 2.78Å; E88-I90 VanDerWaalsContact C-N 3.29Å; E88-I90 PolarHBondContact O-N 2.83Å; E88-G91 PolarHBondContact O-N 3.12Å; E88-G91 VanDerWaalsContact O-N 3.13Å; E88-K92 HydrophobicContact CG-CD 4.47Å; E88-K92 PolarHBondContact O-N 2.94Å; E88-K92 WeakPolarHBondContact OE1-CE 3.45Å; E88-K92 IonicContact OE1-NZ 3.59Å; E88-K92 PolarHBondContact OE1-NZ 3.4Å; E88-C122 VanDerWaalsContact CA-O 3.31Å; E88-C122 WeakPolarHBondContact CA-O 3.43Å; E88-C122 HydrophobicContact CB-CB 4.31Å; E88-R125 IonicContact OE1-NH1 2.86Å; E88-R125 PolarHBondContact OE1-NH1 2.97Å; E88-R125 IonicContact OE2-CZ 2.73Å; E88-R125 IonicContact OE2-NH1 2.82Å; E88-R125 PolarHBondContact OE2-NH1 3.35Å; E88-R125 IonicContact OE2-NH2 2.88Å; E88-G126 WeakPolarHBondContact O-CA 3.2Å
89E94.8Very high93Very high82 Ų8263.2 Ų63.238%0.38330%0.298SS..Hα-helixtrans-65.6-31.4177.6-168.257.6-151.400112.4M85 K86 K92 H93 R96M85-E89 WeakPolarHBondContact O-CB 3.43Å; M85-E89 PolarHBondContact O-N 3.2Å; K86-E89 PolarHBondContact O-N 3.44Å; E89-K92 PolarHBondContact O-N 3.49Å; E89-K92 WeakPolarHBondContact OE2-CD 3.37Å; E89-H93 VanDerWaalsContact O-CB 3.27Å; E89-H93 WeakPolarHBondContact O-CB 3.32Å; E89-H93 PolarHBondContact O-N 3.37Å; E89-R96 IonicContact OE1-CZ 2.89Å; E89-R96 VanDerWaalsContact OE1-CZ 3.26Å; E89-R96 IonicContact OE1-NH1 3.78Å; E89-R96 PolarHBondContact OE1-NH1 2.77Å; E89-R96 IonicContact OE1-NH2 2.93Å; E89-R96 PolarHBondContact OE1-NH2 2.84Å; E89-R96 IonicContact OE2-NH2 2.73Å
90I93.7Very high92.9Very high35 Ų3566.9 Ų66.918%0.17932%0.318CS..Hα-helixtrans-58.9-48.6170-72.4171.4000110.4K86 S87 E88 K92 H93 M94 I123 L249 L268K86-I90 PolarHBondContact O-N 3.27Å; S87-I90 PolarHBondContact O-N 3.05Å; E88-I90 VanDerWaalsContact C-N 3.29Å; E88-I90 PolarHBondContact O-N 2.83Å; I90-K92 PolarHBondContact O-N 3.31Å; I90-H93 WeakPolarHBondContact O-CB 3.48Å; I90-H93 PolarHBondContact O-N 3.05Å; I90-M94 HydrophobicContact CG2-SD 4.29Å; I90-M94 WeakPolarHBondContact O-CG 3.24Å; I90-M94 PolarHBondContact O-N 2.86Å; I90-I123 HydrophobicContact CB-CG1 4.47Å; I90-I123 HydrophobicContact CG2-CG1 4.35Å; I90-L249 HydrophobicContact CD1-CB 4.04Å; I90-L249 HydrophobicContact CD1-CD1 3.73Å; I90-L249 HydrophobicContact CD1-CD2 3.67Å; I90-L249 HydrophobicContact CD1-CG 4Å; I90-L268 HydrophobicContact CD1-CD1 4.02Å
91G94.7Very high92.8Very high0 Ų069.8 Ų69.80%033%0.33CS..Hα-helixtrans-60.2-45.2176.600000112.5S87 E88 H93 M94 K95 I123 G126 L127S87-G91 PolarHBondContact O-N 2.86Å; E88-G91 PolarHBondContact O-N 3.12Å; E88-G91 VanDerWaalsContact O-N 3.13Å; G91-H93 VanDerWaalsContact C-N 3.29Å; G91-H93 PolarHBondContact O-N 2.9Å; G91-M94 WeakPolarHBondContact O-CB 3.35Å; G91-M94 PolarHBondContact O-N 3.04Å; G91-K95 PolarHBondContact O-N 3.1Å; G91-I123 WeakPolarHBondContact CA-O 3.49Å; G91-G126 CarbonylContact C-O 3.52Å; G91-L127 WeakPolarHBondContact O-CA 3.47Å
92K95.6Very high92.9Very high74 Ų7474 Ų7432%0.32235%0.348SS..Hα-helixtrans-61-39.6176-71.1172179.8162.40111.5E88 E89 I90 K95 R96 G126E88-K92 HydrophobicContact CG-CD 4.47Å; E88-K92 PolarHBondContact O-N 2.94Å; E88-K92 WeakPolarHBondContact OE1-CE 3.45Å; E88-K92 IonicContact OE1-NZ 3.59Å; E88-K92 PolarHBondContact OE1-NZ 3.4Å; E89-K92 PolarHBondContact O-N 3.49Å; E89-K92 WeakPolarHBondContact OE2-CD 3.37Å; I90-K92 PolarHBondContact O-N 3.31Å; K92-K95 WeakPolarHBondContact O-CB 3.24Å; K92-K95 PolarHBondContact O-N 3.47Å; K92-R96 WeakPolarHBondContact O-CG 3.06Å; K92-R96 PolarHBondContact O-N 3.36Å; K92-G126 WeakPolarHBondContact CA-O 3.03Å; K92-G126 WeakPolarHBondContact CG-O 3.25Å; K92-G126 PolarHBondContact N-O 2.88Å
93H91.5Very high92.9Very high100 Ų10072.4 Ų72.446%0.46334%0.34SS..Hα-helixtrans-64.9-45.2176.3-171.172.2000111.7E89 I90 G91 K95 R96 L97E89-H93 VanDerWaalsContact O-CB 3.27Å; E89-H93 WeakPolarHBondContact O-CB 3.32Å; E89-H93 PolarHBondContact O-N 3.37Å; I90-H93 WeakPolarHBondContact O-CB 3.48Å; I90-H93 PolarHBondContact O-N 3.05Å; G91-H93 VanDerWaalsContact C-N 3.29Å; G91-H93 PolarHBondContact O-N 2.9Å; H93-K95 VanDerWaalsContact C-N 3.28Å; H93-K95 PolarHBondContact O-N 2.94Å; H93-R96 PolarHBondContact O-N 3.31Å; H93-R96 VanDerWaalsContact O-N 3.12Å; H93-L97 WeakPolarHBondContact O-CG 3.27Å; H93-L97 PolarHBondContact O-N 3.22Å
94M91.1Very high92.8Very high32 Ų3272.3 Ų72.316%0.15834%0.34CS..Hα-helixtrans-56.1-43.5172.9-68.9172.665.300111.6I90 G91 L97 N98 F99 I123 L127 M211I90-M94 HydrophobicContact CG2-SD 4.29Å; I90-M94 WeakPolarHBondContact O-CG 3.24Å; I90-M94 PolarHBondContact O-N 2.86Å; G91-M94 WeakPolarHBondContact O-CB 3.35Å; G91-M94 PolarHBondContact O-N 3.04Å; M94-L97 CarbonylContact O-C 3.48Å; M94-L97 PolarHBondContact O-N 3.04Å; M94-N98 PolarHBondContact O-N 2.69Å; M94-F99 HydrophobicContact CB-CB 4.14Å; M94-F99 HydrophobicContact CE-CD1 3.59Å; M94-F99 HydrophobicContact CE-CD2 4.28Å; M94-F99 HydrophobicContact CE-CE1 3.7Å; M94-F99 HydrophobicContact CE-CE2 4.38Å; M94-F99 HydrophobicContact CE-CG 3.89Å; M94-F99 HydrophobicContact CE-CZ 4.11Å; M94-F99 VanDerWaalsContact O-CB 3.29Å; M94-F99 WeakPolarHBondContact O-CB 3.46Å; M94-F99 PolarHBondContact O-N 2.8Å; M94-I123 HydrophobicContact SD-CG2 4.3Å; M94-L127 HydrophobicContact CB-CD1 3.87Å; M94-L127 HydrophobicContact CE-CD2 4.05Å; M94-M211 HydrophobicContact CE-CE 4.11Å; M94-M211 HydrophobicContact SD-CE 4.49Å
95K91.7Very high92.6Very high103 Ų10371.6 Ų71.645%0.44834%0.338SS..Hα-helixtrans-61-44.1175-175.7172.6177.1173.30112.1G91 K92 H93 L97 N98 L127 D128G91-K95 PolarHBondContact O-N 3.1Å; K92-K95 WeakPolarHBondContact O-CB 3.24Å; K92-K95 PolarHBondContact O-N 3.47Å; H93-K95 VanDerWaalsContact C-N 3.28Å; H93-K95 PolarHBondContact O-N 2.94Å; K95-L97 VanDerWaalsContact C-N 3.26Å; K95-L97 PolarHBondContact O-N 2.98Å; K95-N98 WeakPolarHBondContact O-CA 3.4Å; K95-N98 PolarHBondContact O-N 2.76Å; K95-L127 HydrophobicContact CB-CD1 4.23Å; K95-D128 HydrophobicContact CD-CB 3.99Å; K95-D128 VanDerWaalsContact NZ-CB 3.33Å; K95-D128 IonicContact NZ-OD2 3.7Å; K95-D128 PolarHBondContact NZ-OD2 2.9Å
96R92.7Very high92.6Very high146 Ų14674.8 Ų74.855%0.55134%0.343SS*.Hα-helixtrans-65-28.4176.5-68.9-177.9-156.4110.6-8.6113.1E89 K92 H93 N98E89-R96 IonicContact OE1-CZ 2.89Å; E89-R96 VanDerWaalsContact OE1-CZ 3.26Å; E89-R96 IonicContact OE1-NH1 3.78Å; E89-R96 PolarHBondContact OE1-NH1 2.77Å; E89-R96 IonicContact OE1-NH2 2.93Å; E89-R96 PolarHBondContact OE1-NH2 2.84Å; E89-R96 IonicContact OE2-NH2 2.73Å; K92-R96 WeakPolarHBondContact O-CG 3.06Å; K92-R96 PolarHBondContact O-N 3.36Å; H93-R96 PolarHBondContact O-N 3.31Å; H93-R96 VanDerWaalsContact O-N 3.12Å; R96-N98 PolarHBondContact O-N 2.77Å
97L91Very high92.6Very high118 Ų11871.1 Ų71.162%0.61833%0.327SS*.THydrogen-bonded Turntrans-80.26.9172-66.2178.3000113.2H93 M94 K95 F99H93-L97 WeakPolarHBondContact O-CG 3.27Å; H93-L97 PolarHBondContact O-N 3.22Å; M94-L97 CarbonylContact O-C 3.48Å; M94-L97 PolarHBondContact O-N 3.04Å; K95-L97 VanDerWaalsContact C-N 3.26Å; K95-L97 PolarHBondContact O-N 2.98Å; L97-F99 VanDerWaalsContact C-N 3.26Å; L97-F99 PolarHBondContact O-N 3.44Å
98N89.8Confident92.7Very high147 Ų14771.2 Ų71.279%0.78633%0.327SS*.THydrogen-bonded Turntrans5734.7-177.1-57-52.1000113.6M94 K95 R96 D100M94-N98 PolarHBondContact O-N 2.69Å; K95-N98 WeakPolarHBondContact O-CA 3.4Å; K95-N98 PolarHBondContact O-N 2.76Å; R96-N98 PolarHBondContact O-N 2.77Å; N98-D100 PolarHBondContact O-N 2.83Å
99F90.1Very high92.7Very high58 Ų5869.6 Ų69.625%0.25432%0.319SS..  trans-60120.6172.4177.8-96.8000110.2M94 L97 K101 L103 L104 L127M94-F99 HydrophobicContact CB-CB 4.14Å; M94-F99 HydrophobicContact CE-CD1 3.59Å; M94-F99 HydrophobicContact CE-CD2 4.28Å; M94-F99 HydrophobicContact CE-CE1 3.7Å; M94-F99 HydrophobicContact CE-CE2 4.38Å; M94-F99 HydrophobicContact CE-CG 3.89Å; M94-F99 HydrophobicContact CE-CZ 4.11Å; M94-F99 VanDerWaalsContact O-CB 3.29Å; M94-F99 WeakPolarHBondContact O-CB 3.46Å; M94-F99 PolarHBondContact O-N 2.8Å; L97-F99 VanDerWaalsContact C-N 3.26Å; L97-F99 PolarHBondContact O-N 3.44Å; F99-K101 PolarHBondContact O-N 2.92Å; F99-K101 VanDerWaalsContact O-N 3.1Å; F99-L103 HydrophobicContact CE2-CD1 4.15Å; F99-L103 HydrophobicContact CZ-CB 4.17Å; F99-L104 HydrophobicContact CE1-CD1 4.07Å; F99-L104 HydrophobicContact CE1-CD2 4.32Å; F99-L104 HydrophobicContact CE1-CG 3.88Å; F99-L104 HydrophobicContact CZ-CD2 4.11Å; F99-L104 HydrophobicContact CZ-CG 4.07Å; F99-L127 HydrophobicContact CD1-CD1 4.05Å; F99-L127 HydrophobicContact CD1-CD2 4.06Å; F99-L127 HydrophobicContact CE1-CD2 4.18Å
100D90.9Very high92.8Very high78 Ų7865.7 Ų65.742%0.41730%0.301SS..  trans-73.7102.8175.6-177.34000109.9N98 K102 L103N98-D100 PolarHBondContact O-N 2.83Å; D100-K102 PolarHBondContact O-N 3.38Å; D100-K102 VanDerWaalsContact OD1-CB 3.28Å; D100-K102 WeakPolarHBondContact OD1-CB 3.49Å; D100-K102 WeakPolarHBondContact OD1-CG 3.35Å; D100-K102 PolarHBondContact OD1-N 3.46Å; D100-L103 HydrophobicContact CB-CD1 4.17Å; D100-L103 HydrophobicContact CB-CG 4.08Å; D100-L103 WeakPolarHBondContact O-CB 3.39Å; D100-L103 WeakPolarHBondContact O-CG 3.31Å; D100-L103 PolarHBondContact O-N 2.96Å
101K91.3Very high92.7Very high60 Ų6064 Ų6426%0.26129%0.293SS..G310 helixtrans-56.4-21.2178.158179.6179.5159.40114.1F99 L103 L104 L127 D128 A129 E131F99-K101 PolarHBondContact O-N 2.92Å; F99-K101 VanDerWaalsContact O-N 3.1Å; K101-L103 PolarHBondContact O-N 2.83Å; K101-L104 WeakPolarHBondContact O-CB 3.21Å; K101-L104 PolarHBondContact O-N 2.88Å; K101-L104 VanDerWaalsContact O-N 3.11Å; K101-L127 HydrophobicContact CB-CD2 4.19Å; K101-L127 HydrophobicContact CB-CG 4.38Å; K101-D128 PolarHBondContact NZ-O 3.12Å; K101-A129 HydrophobicContact CB-CB 4.15Å; K101-A129 HydrophobicContact CD-CB 3.77Å; K101-E131 WeakPolarHBondContact CD-OE1 3.13Å; K101-E131 WeakPolarHBondContact CE-OE1 3.34Å; K101-E131 VanDerWaalsContact NZ-CD 3.32Å; K101-E131 IonicContact NZ-OE1 3.67Å; K101-E131 PolarHBondContact NZ-OE1 3.37Å; K101-E131 IonicContact NZ-OE2 3.74Å; K101-E131 PolarHBondContact NZ-OE2 3.28Å
102K91.8Very high92.5Very high151 Ų15164.1 Ų64.166%0.65729%0.293SS*.G310 helixtrans-62.9-22.9172.6-62.9175.6-178.11750112.6D100 L104 G105D100-K102 PolarHBondContact O-N 3.38Å; D100-K102 VanDerWaalsContact OD1-CB 3.28Å; D100-K102 WeakPolarHBondContact OD1-CB 3.49Å; D100-K102 WeakPolarHBondContact OD1-CG 3.35Å; D100-K102 PolarHBondContact OD1-N 3.46Å; K102-L104 PolarHBondContact O-N 3.29Å; K102-G105 PolarHBondContact O-N 3.01Å
103L92.9Very high92.2Very high50 Ų5061.5 Ų61.526%0.26228%0.284SS..G310 helixtrans-62.7-25.9175.1-61.8174.5000112.4F99 D100 K101 G105 G207 R208 V209F99-L103 HydrophobicContact CE2-CD1 4.15Å; F99-L103 HydrophobicContact CZ-CB 4.17Å; D100-L103 HydrophobicContact CB-CD1 4.17Å; D100-L103 HydrophobicContact CB-CG 4.08Å; D100-L103 WeakPolarHBondContact O-CB 3.39Å; D100-L103 WeakPolarHBondContact O-CG 3.31Å; D100-L103 PolarHBondContact O-N 2.96Å; K101-L103 PolarHBondContact O-N 2.83Å; L103-G105 PolarHBondContact O-N 2.89Å; L103-G207 CarbonylContact O-C 3.54Å; L103-R208 HydrophobicContact CD2-CB 4.05Å; L103-R208 HydrophobicContact CD2-CG 4.31Å; L103-R208 PolarHBondContact O-N 2.51Å; L103-V209 HydrophobicContact CB-CG2 4.04Å; L103-V209 PolarHBondContact O-N 3.02Å
104L92.5Very high92.1Very high0 Ų056.8 Ų56.80%026%0.262CS..G310 helixtrans-74.1-5.9173.3-60.8172.4000113.2F99 K101 K102 R106 V108 L124 L127 V132 H205 V209 M211F99-L104 HydrophobicContact CE1-CD1 4.07Å; F99-L104 HydrophobicContact CE1-CD2 4.32Å; F99-L104 HydrophobicContact CE1-CG 3.88Å; F99-L104 HydrophobicContact CZ-CD2 4.11Å; F99-L104 HydrophobicContact CZ-CG 4.07Å; K101-L104 WeakPolarHBondContact O-CB 3.21Å; K101-L104 PolarHBondContact O-N 2.88Å; K101-L104 VanDerWaalsContact O-N 3.11Å; K102-L104 PolarHBondContact O-N 3.29Å; L104-R106 PolarHBondContact O-N 3.46Å; L104-V108 HydrophobicContact CD1-CG1 4.25Å; L104-V108 HydrophobicContact CD2-CG1 4.38Å; L104-L124 HydrophobicContact CD1-CD2 4.31Å; L104-L127 HydrophobicContact CD1-CD2 3.89Å; L104-V132 HydrophobicContact CB-CG1 4.46Å; L104-H205 PolarHBondContact O-CE1 3.15Å; L104-H205 VanDerWaalsContact O-CE1 3.24Å; L104-H205 PolarHBondContact O-NE2 3.02Å; L104-V209 WeakPolarHBondContact CA-O 3.15Å; L104-V209 HydrophobicContact CD2-CB 4.3Å; L104-V209 HydrophobicContact CD2-CG1 4.12Å; L104-M211 HydrophobicContact CD2-CB 4.1Å; L104-M211 HydrophobicContact CD2-CE 4.22Å
105G90.6Very high92.1Very high13 Ų1355.4 Ų55.413%0.13426%0.256CS..THydrogen-bonded Turntrans64-129.9-168.600000111.2K102 L103 R206K102-G105 PolarHBondContact O-N 3.01Å; L103-G105 PolarHBondContact O-N 2.89Å; G105-R206 VanDerWaalsContact CA-O 3.31Å; G105-R206 WeakPolarHBondContact CA-O 3.33Å
106R93.4Very high92.3Very high191 Ų19150.5 Ų50.572%0.72124%0.235SC*.THydrogen-bonded Turntrans-106.9-3.6-176.2-62.2-177.468178.43.2114.1L104 K133L104-R106 PolarHBondContact O-N 3.46Å; R106-K133 PolarHBondContact O-N 3.1Å
107Y95Very high92.3Very high18 Ų1843.6 Ų43.67%0.07121%0.208CC..EExtended strand (participates in β ladder)trans-160.1146.9-171.941.7-96.4000113.7Y109 K133 R135 R204 H205 R206Y107-Y109 HydrophobicContact CD2-CE1 4.36Å; Y107-Y109 AromaticContact CD2-CE2 3.66Å; Y107-Y109 HydrophobicContact CD2-CE2 3.66Å; Y107-Y109 AromaticContact CD2-CZ 3.53Å; Y107-Y109 WeakPolarHBondContact CD2-OH 3.37Å; Y107-Y109 AromaticContact CE2-CE2 3.94Å; Y107-Y109 HydrophobicContact CE2-CE2 3.94Å; Y107-Y109 AromaticContact CE2-CZ 3.62Å; Y107-Y109 WeakPolarHBondContact CE2-OH 3.24Å; Y107-K133 CarbonylContact C-O 3.54Å; Y107-K133 WeakPolarHBondContact CA-O 3.48Å; Y107-K133 WeakPolarHBondContact CB-O 3.33Å; Y107-R135 VanDerWaalsContact CE1-CZ 3.43Å; Y107-R135 HydrophobicContact CG-CG 4.39Å; Y107-R204 PolarHBondContact OH-O 2.91Å; Y107-H205 AromaticContact CD2-ND1 3.63Å; Y107-H205 HydrophobicContact CE2-CB 4.44Å; Y107-H205 AromaticContact CE2-CE1 3.87Å; Y107-H205 AromaticContact CE2-ND1 3.18Å; Y107-H205 WeakPolarHBondContact CE2-ND1 3.46Å; Y107-H205 PolarHBondContact O-CE1 3.34Å; Y107-R206 PolarHBondContact OH-N 2.73Å
108V96.2Very high92.4Very high1 Ų139 Ų391%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-108.6164.5163.9-57.80000109.5L104 A120 L124 V132 K133 V134 R135 M211 I213L104-V108 HydrophobicContact CD1-CG1 4.25Å; L104-V108 HydrophobicContact CD2-CG1 4.38Å; V108-A120 HydrophobicContact CG2-CB 4.46Å; V108-L124 HydrophobicContact CG1-CD2 4.19Å; V108-L124 HydrophobicContact CG2-CD1 3.91Å; V108-V132 HydrophobicContact CG1-CG1 3.88Å; V108-K133 PolarHBondContact N-O 3.48Å; V108-V134 HydrophobicContact CG2-CG2 4.19Å; V108-R135 WeakPolarHBondContact O-CB 3.4Å; V108-R135 PolarHBondContact O-N 3.49Å; V108-M211 HydrophobicContact CB-CB 4.17Å; V108-M211 HydrophobicContact CG1-CB 3.85Å; V108-M211 HydrophobicContact CG1-SD 4.34Å; V108-I213 HydrophobicContact CB-CD1 4.44Å; V108-I213 HydrophobicContact CG2-CD1 4.34Å
109Y96.4Very high92.8Very high5 Ų532 Ų322%0.0215%0.146CC..EExtended strand (participates in β ladder)trans-117.7146178.9-54.3-99.9000110.9Y107 R135 E137 Y172 L201 H205 M211 L212 I213Y107-Y109 HydrophobicContact CD2-CE1 4.36Å; Y107-Y109 AromaticContact CD2-CE2 3.66Å; Y107-Y109 HydrophobicContact CD2-CE2 3.66Å; Y107-Y109 AromaticContact CD2-CZ 3.53Å; Y107-Y109 WeakPolarHBondContact CD2-OH 3.37Å; Y107-Y109 AromaticContact CE2-CE2 3.94Å; Y107-Y109 HydrophobicContact CE2-CE2 3.94Å; Y107-Y109 AromaticContact CE2-CZ 3.62Å; Y107-Y109 WeakPolarHBondContact CE2-OH 3.24Å; Y109-R135 CarbonylContact C-O 3.57Å; Y109-R135 VanDerWaalsContact CA-O 3.25Å; Y109-R135 WeakPolarHBondContact CA-O 3.42Å; Y109-R135 HydrophobicContact CD1-CB 3.66Å; Y109-R135 HydrophobicContact CE1-CB 4.03Å; Y109-R135 HydrophobicContact CG-CB 4.32Å; Y109-E137 HydrophobicContact CD1-CB 4.47Å; Y109-Y172 HydrophobicContact CD1-CE1 4.42Å; Y109-Y172 HydrophobicContact CE1-CE1 4.46Å; Y109-Y172 HydrophobicContact CE1-CE2 4.22Å; Y109-Y172 AromaticContact CE1-CZ 3.83Å; Y109-Y172 WeakPolarHBondContact CE1-OH 3.45Å; Y109-L201 HydrophobicContact CD1-CD2 4.27Å; Y109-L201 HydrophobicContact CD2-CD2 3.82Å; Y109-L201 HydrophobicContact CE1-CD2 3.78Å; Y109-L201 HydrophobicContact CE2-CD2 3.29Å; Y109-L201 HydrophobicContact CG-CD2 4.27Å; Y109-L201 WeakPolarHBondContact OH-CD2 3.45Å; Y109-H205 AromaticContact CE2-ND1 3.56Å; Y109-M211 PolarHBondContact N-O 3.37Å; Y109-L212 HydrophobicContact CD2-CD2 3.75Å; Y109-L212 HydrophobicContact CG-CD2 4.02Å; Y109-L212 CarbonylContact O-C 3.6Å; Y109-L212 WeakPolarHBondContact O-CA 3.42Å; Y109-I213 WeakPolarHBondContact O-CD1 3.49Å; Y109-I213 PolarHBondContact O-N 2.87Å
110C95.3Very high93.1Very high0 Ų029.3 Ų29.30%014%0.135CC..EExtended strand (participates in β ladder)trans-141155.3174.8670000112.1C116 A120 V134 R135 E137 I213C110-C116 HydrophobicContact CB-CB 4.4Å; C110-A120 HydrophobicContact CB-CB 4.32Å; C110-V134 HydrophobicContact CB-CG1 4.36Å; C110-V134 WeakPolarHBondContact SG-CG1 3.25Å; C110-R135 PolarHBondContact N-O 2.94Å; C110-E137 PolarHBondContact O-N 3.14Å; C110-I213 CarbonylContact C-O 3.5Å; C110-I213 VanDerWaalsContact CA-O 3.23Å; C110-I213 WeakPolarHBondContact CA-O 3.35Å; C110-I213 HydrophobicContact CB-CB 3.9Å
111S93.1Very high93.3Very high0 Ų027.1 Ų27.10%012%0.123CC..  trans-58.7142.7162.6172.40000109.4C113 C116 L140 S141 I213 H215S111-C113 PolarHBondContact O-N 3Å; S111-C113 VanDerWaalsContact O-N 3.09Å; S111-C113 PolarHBondContact OG-N 3.4Å; S111-C116 VanDerWaalsContact O-CB 3.29Å; S111-C116 WeakPolarHBondContact O-CB 3.29Å; S111-L140 WeakPolarHBondContact CB-O 3.4Å; S111-S141 WeakPolarHBondContact OG-CA 3.47Å; S111-I213 PolarHBondContact N-O 3.38Å; S111-H215 PolarHBondContact OG-NE2 2.6Å; S111-H215 VanDerWaalsContact OG-NE2 3.07Å
112P89.3Confident93.5Very high1 Ų124.4 Ų24.41%0.00611%0.112CC..SBendtrans-66.6-3.517727.9-40.2000115.6I136 E137 S141 W154P112-I136 HydrophobicContact CB-CG2 3.46Å; P112-I136 VanDerWaalsContact CB-CG2 3.46Å; P112-I136 HydrophobicContact CG-CG2 4.4Å; P112-E137 WeakPolarHBondContact CD-O 3.28Å; P112-S141 WeakPolarHBondContact CD-OG 3.41Å; P112-S141 VanDerWaalsContact CG-OG 3.29Å; P112-S141 WeakPolarHBondContact CG-OG 3.2Å; P112-W154 HydrophobicContact CB-CB 3.96Å; P112-W154 VanDerWaalsContact CB-CD1 3.45Å; P112-W154 HydrophobicContact CB-CD2 3.41Å; P112-W154 VanDerWaalsContact CB-CD2 3.41Å; P112-W154 HydrophobicContact CB-CE3 3.93Å; P112-W154 HydrophobicContact CB-CG 3.4Å; P112-W154 HydrophobicContact CB-CZ2 4.41Å; P112-W154 HydrophobicContact CG-CD2 3.41Å; P112-W154 VanDerWaalsContact CG-CD2 3.41Å; P112-W154 HydrophobicContact CG-CE3 3.91Å; P112-W154 HydrophobicContact CG-CG 3.85Å; P112-W154 HydrophobicContact CG-CH2 4Å; P112-W154 HydrophobicContact CG-CZ2 3.45Å; P112-W154 VanDerWaalsContact CG-CZ2 3.45Å; P112-W154 HydrophobicContact CG-CZ3 4.17Å
113C89Confident93.7Very high20 Ų2017.3 Ų17.314%0.1358%0.081CC..SBendtrans-62.7137.1171.3-65.30000110.8D76 S111 C115 C116 V117 H215D76-C113 WeakPolarHBondContact OD1-CA 3.38Å; S111-C113 PolarHBondContact O-N 3Å; S111-C113 VanDerWaalsContact O-N 3.09Å; S111-C113 PolarHBondContact OG-N 3.4Å; C113-C115 VanDerWaalsContact C-N 3.28Å; C113-C115 PolarHBondContact O-N 3.45Å; C113-C116 HydrophobicContact CB-CB 4.48Å; C113-C116 WeakPolarHBondContact O-CA 3.33Å; C113-C116 WeakPolarHBondContact O-CB 3.48Å; C113-C116 PolarHBondContact O-N 3.12Å; C113-V117 PolarHBondContact O-N 2.75Å; C113-V117 VanDerWaalsContact O-N 3.1Å; C113-H215 VanDerWaalsContact SG-CE1 3.6Å
114L89.5Confident93.9Very high0 Ų015.5 Ų15.50%07%0.071CC..Hα-helixtrans-54.8-43-175.3176.759.7000112.5P64 D76 P78 C116 V117 Q118 F162 I165P64-L114 HydrophobicContact CG-CD2 4.18Å; D76-L114 PolarHBondContact OD1-N 3.04Å; D76-L114 VanDerWaalsContact OD2-CB 3.26Å; D76-L114 WeakPolarHBondContact OD2-CB 3.45Å; D76-L114 PolarHBondContact OD2-N 3.47Å; P78-L114 HydrophobicContact CB-CD2 3.88Å; P78-L114 HydrophobicContact CB-CG 4.48Å; L114-C116 VanDerWaalsContact C-N 3.27Å; L114-C116 PolarHBondContact O-N 3.1Å; L114-V117 PolarHBondContact O-N 2.98Å; L114-Q118 HydrophobicContact CD1-CG 3.96Å; L114-Q118 HydrophobicContact CG-CG 4.34Å; L114-Q118 WeakPolarHBondContact O-CB 3.23Å; L114-Q118 WeakPolarHBondContact O-CG 3.32Å; L114-Q118 PolarHBondContact O-N 2.74Å; L114-F162 HydrophobicContact CD1-CE1 4.31Å; L114-I165 HydrophobicContact CD1-CD1 3.47Å; L114-I165 VanDerWaalsContact CD1-CD1 3.47Å
115C92.2Very high94.1Very high4 Ų420.6 Ų20.63%0.0279%0.091CC..Hα-helixtrans-59.9-35.2176.958.40000113.2L79 C113 T119L79-C115 HydrophobicContact CD2-CB 3.75Å; L79-C115 HydrophobicContact CG-CB 4.42Å; C113-C115 VanDerWaalsContact C-N 3.28Å; C113-C115 PolarHBondContact O-N 3.45Å; C115-T119 WeakPolarHBondContact O-CB 3.42Å; C115-T119 PolarHBondContact O-N 3.2Å; C115-T119 PolarHBondContact O-OG1 3Å
116C94.7Very high94.3Very high0 Ų020.2 Ų20.20%09%0.087CC..Hα-helixtrans-72-43.8176.2-62.60000111.2H20 C110 S111 C113 L114 T119 A120 I213H20-C116 HydrophobicContact CB-CB 4.44Å; C110-C116 HydrophobicContact CB-CB 4.4Å; S111-C116 VanDerWaalsContact O-CB 3.29Å; S111-C116 WeakPolarHBondContact O-CB 3.29Å; C113-C116 HydrophobicContact CB-CB 4.48Å; C113-C116 WeakPolarHBondContact O-CA 3.33Å; C113-C116 WeakPolarHBondContact O-CB 3.48Å; C113-C116 PolarHBondContact O-N 3.12Å; L114-C116 VanDerWaalsContact C-N 3.27Å; L114-C116 PolarHBondContact O-N 3.1Å; C116-T119 PolarHBondContact O-N 3.18Å; C116-A120 PolarHBondContact O-N 3.33Å; C116-I213 HydrophobicContact CB-CG2 4.03Å; C116-I213 WeakPolarHBondContact O-CG2 3.36Å
117V93.4Very high94.4Very high0 Ų011.4 Ų11.40%05%0.054CC..Hα-helixtrans-62.5-46.2176.6-178.90000110.8C113 L114 A120 D121 I136 F162 A166C113-V117 PolarHBondContact O-N 2.75Å; C113-V117 VanDerWaalsContact O-N 3.1Å; L114-V117 PolarHBondContact O-N 2.98Å; V117-A120 PolarHBondContact O-N 2.9Å; V117-D121 PolarHBondContact O-N 3.27Å; V117-I136 HydrophobicContact CG2-CD1 4.38Å; V117-I136 HydrophobicContact CG2-CG1 4.42Å; V117-F162 HydrophobicContact CB-CD1 4.2Å; V117-F162 HydrophobicContact CB-CE1 4.16Å; V117-F162 HydrophobicContact CG1-CD1 3.76Å; V117-F162 HydrophobicContact CG1-CE1 4.22Å; V117-F162 HydrophobicContact CG1-CG 4.4Å; V117-F162 HydrophobicContact CG2-CD1 4.13Å; V117-F162 HydrophobicContact CG2-CE1 3.77Å; V117-F162 HydrophobicContact CG2-CZ 4.24Å; V117-A166 HydrophobicContact CG1-CB 3.97Å
118Q94.1Very high94.4Very high22 Ų2214.5 Ų14.510%0.1037%0.072CC..Hα-helixtrans-63.6-40.7176.4-75.3179-54.600112.1P78 L79 L114 A120 D121 C122 I165P78-Q118 VanDerWaalsContact CA-OE1 3.22Å; L79-Q118 HydrophobicContact CD1-CB 3.66Å; L79-Q118 HydrophobicContact CG-CB 3.79Å; L114-Q118 HydrophobicContact CD1-CG 3.96Å; L114-Q118 HydrophobicContact CG-CG 4.34Å; L114-Q118 WeakPolarHBondContact O-CB 3.23Å; L114-Q118 WeakPolarHBondContact O-CG 3.32Å; L114-Q118 PolarHBondContact O-N 2.74Å; Q118-A120 VanDerWaalsContact C-N 3.32Å; Q118-A120 PolarHBondContact O-N 2.85Å; Q118-D121 PolarHBondContact O-N 3.07Å; Q118-C122 WeakPolarHBondContact O-CB 3.48Å; Q118-C122 PolarHBondContact O-N 3.1Å; Q118-C122 PolarHBondContact O-SG 3.18Å; Q118-I165 HydrophobicContact CG-CG2 3.59Å
119T96.4Very high94.4Very high0 Ų014.5 Ų14.50%07%0.072CC..Hα-helixtrans-60.5-45176-59.60000110.4L18 A21 C115 C116 C122 I123 I213 L249L18-T119 HydrophobicContact CD2-CG2 4.21Å; A21-T119 PolarHBondContact N-OG1 2.99Å; A21-T119 VanDerWaalsContact N-OG1 3.07Å; C115-T119 WeakPolarHBondContact O-CB 3.42Å; C115-T119 PolarHBondContact O-N 3.2Å; C115-T119 PolarHBondContact O-OG1 3Å; C116-T119 PolarHBondContact O-N 3.18Å; T119-C122 PolarHBondContact O-N 3.4Å; T119-I123 HydrophobicContact CG2-CD1 3.82Å; T119-I123 VanDerWaalsContact O-CG1 3.3Å; T119-I123 WeakPolarHBondContact O-CG1 3.44Å; T119-I123 PolarHBondContact O-N 2.83Å; T119-I123 VanDerWaalsContact O-N 3.09Å; T119-I213 HydrophobicContact CG2-CG2 4.09Å; T119-L249 HydrophobicContact CG2-CD2 4.07Å
120A96.6Very high94.3Very high2 Ų218.5 Ų18.52%0.01710%0.099CC..Hα-helixtrans-61.4-47.5177.600000111.9V108 C110 C116 V117 Q118 I123 L124 V134 I213V108-A120 HydrophobicContact CG2-CB 4.46Å; C110-A120 HydrophobicContact CB-CB 4.32Å; C116-A120 PolarHBondContact O-N 3.33Å; V117-A120 PolarHBondContact O-N 2.9Å; Q118-A120 VanDerWaalsContact C-N 3.32Å; Q118-A120 PolarHBondContact O-N 2.85Å; A120-I123 PolarHBondContact O-N 2.79Å; A120-L124 WeakPolarHBondContact O-CG 3.36Å; A120-L124 PolarHBondContact O-N 3.07Å; A120-V134 HydrophobicContact CB-CG1 4.1Å; A120-V134 HydrophobicContact CB-CG2 4.13Å; A120-I213 HydrophobicContact CB-CD1 3.75Å; A120-I213 HydrophobicContact CB-CG1 4.02Å
121D95.7Very high94.3Very high31 Ų3122.9 Ų22.917%0.16612%0.119CC..Hα-helixtrans-57.1-51.9175.7175.769.6000112.1V117 Q118 I123 L124 R125 I165 A166V117-D121 PolarHBondContact O-N 3.27Å; Q118-D121 PolarHBondContact O-N 3.07Å; D121-I123 VanDerWaalsContact C-N 3.28Å; D121-I123 PolarHBondContact O-N 2.9Å; D121-L124 PolarHBondContact O-N 2.91Å; D121-L124 VanDerWaalsContact O-N 3.12Å; D121-R125 WeakPolarHBondContact O-CB 3.36Å; D121-R125 PolarHBondContact O-N 2.83Å; D121-R125 IonicContact OD2-CZ 3.27Å; D121-R125 IonicContact OD2-NE 3.62Å; D121-R125 PolarHBondContact OD2-NE 2.8Å; D121-R125 IonicContact OD2-NH2 3.99Å; D121-I165 WeakPolarHBondContact CB-O 3.36Å; D121-A166 HydrophobicContact CB-CB 3.85Å
122C95.7Very high94.4Very high4 Ų423 Ų233%0.02712%0.12CC..Hα-helixtrans-58.2-43.3-176.3-65.70000111.1S87 E88 Q118 T119 R125 G126S87-C122 VanDerWaalsContact CB-CB 3.46Å; E88-C122 VanDerWaalsContact CA-O 3.31Å; E88-C122 WeakPolarHBondContact CA-O 3.43Å; E88-C122 HydrophobicContact CB-CB 4.31Å; Q118-C122 WeakPolarHBondContact O-CB 3.48Å; Q118-C122 PolarHBondContact O-N 3.1Å; Q118-C122 PolarHBondContact O-SG 3.18Å; T119-C122 PolarHBondContact O-N 3.4Å; C122-R125 PolarHBondContact O-N 2.92Å; C122-R125 PolarHBondContact SG-NH2 2.85Å; C122-G126 PolarHBondContact O-N 3.23Å
123I96Very high94.7Very high2 Ų226.7 Ų26.71%0.0114%0.135CC..Hα-helixtrans-62.8-47.6177-69.3166.7000111L18 S87 I90 G91 M94 T119 A120 D121 R125 G126 L127 M211L18-I123 HydrophobicContact CD2-CD1 3.26Å; S87-I123 VanDerWaalsContact O-CG1 3.24Å; S87-I123 WeakPolarHBondContact O-CG1 3.25Å; I90-I123 HydrophobicContact CB-CG1 4.47Å; I90-I123 HydrophobicContact CG2-CG1 4.35Å; G91-I123 WeakPolarHBondContact CA-O 3.49Å; M94-I123 HydrophobicContact SD-CG2 4.3Å; T119-I123 HydrophobicContact CG2-CD1 3.82Å; T119-I123 VanDerWaalsContact O-CG1 3.3Å; T119-I123 WeakPolarHBondContact O-CG1 3.44Å; T119-I123 PolarHBondContact O-N 2.83Å; T119-I123 VanDerWaalsContact O-N 3.09Å; A120-I123 PolarHBondContact O-N 2.79Å; D121-I123 VanDerWaalsContact C-N 3.28Å; D121-I123 PolarHBondContact O-N 2.9Å; I123-R125 VanDerWaalsContact C-N 3.33Å; I123-R125 PolarHBondContact O-N 2.68Å; I123-G126 PolarHBondContact O-N 3.32Å; I123-L127 VanDerWaalsContact O-CB 3.25Å; I123-L127 WeakPolarHBondContact O-CB 3.37Å; I123-L127 PolarHBondContact O-N 3.1Å; I123-M211 HydrophobicContact CG2-SD 4.46Å
124L96.9Very high95Very high11 Ų1125.8 Ų25.86%0.05813%0.129CC..Hα-helixtrans-65-37.5-179.2-69.2178.6000112.5L104 V108 A120 D121 L127 D128 A129 V132 V134L104-L124 HydrophobicContact CD1-CD2 4.31Å; V108-L124 HydrophobicContact CG1-CD2 4.19Å; V108-L124 HydrophobicContact CG2-CD1 3.91Å; A120-L124 WeakPolarHBondContact O-CG 3.36Å; A120-L124 PolarHBondContact O-N 3.07Å; D121-L124 PolarHBondContact O-N 2.91Å; D121-L124 VanDerWaalsContact O-N 3.12Å; L124-L127 PolarHBondContact O-N 2.93Å; L124-D128 PolarHBondContact O-N 2.94Å; L124-A129 HydrophobicContact CD2-CB 4.26Å; L124-A129 PolarHBondContact O-N 2.85Å; L124-V132 HydrophobicContact CD1-CB 4.46Å; L124-V132 HydrophobicContact CD1-CG1 4.25Å; L124-V132 HydrophobicContact CD2-CB 3.99Å; L124-V132 HydrophobicContact CD2-CG1 3.81Å; L124-V134 HydrophobicContact CD1-CG2 3.68Å
125R96.2Very high95.2Very high108 Ų10827.9 Ų27.941%0.40814%0.137SC..Hα-helixtrans-66.2-43.9174.5-177.2163.844.8796111.6E88 D121 C122 I123 L127 D128E88-R125 IonicContact OE1-NH1 2.86Å; E88-R125 PolarHBondContact OE1-NH1 2.97Å; E88-R125 IonicContact OE2-CZ 2.73Å; E88-R125 IonicContact OE2-NH1 2.82Å; E88-R125 PolarHBondContact OE2-NH1 3.35Å; E88-R125 IonicContact OE2-NH2 2.88Å; D121-R125 WeakPolarHBondContact O-CB 3.36Å; D121-R125 PolarHBondContact O-N 2.83Å; D121-R125 IonicContact OD2-CZ 3.27Å; D121-R125 IonicContact OD2-NE 3.62Å; D121-R125 PolarHBondContact OD2-NE 2.8Å; D121-R125 IonicContact OD2-NH2 3.99Å; C122-R125 PolarHBondContact O-N 2.92Å; C122-R125 PolarHBondContact SG-NH2 2.85Å; I123-R125 VanDerWaalsContact C-N 3.33Å; I123-R125 PolarHBondContact O-N 2.68Å; R125-L127 VanDerWaalsContact C-N 3.34Å; R125-L127 PolarHBondContact O-N 2.8Å; R125-D128 PolarHBondContact O-N 3.41Å; R125-D128 VanDerWaalsContact O-N 3.14Å
126G95.9Very high95.1Very high5 Ų529.1 Ų29.15%0.05214%0.143CC..Hα-helixtrans-64.4-37.217400000113.3E88 G91 K92 C122 I123 D128E88-G126 WeakPolarHBondContact O-CA 3.2Å; G91-G126 CarbonylContact C-O 3.52Å; K92-G126 WeakPolarHBondContact CA-O 3.03Å; K92-G126 WeakPolarHBondContact CG-O 3.25Å; K92-G126 PolarHBondContact N-O 2.88Å; C122-G126 PolarHBondContact O-N 3.23Å; I123-G126 PolarHBondContact O-N 3.32Å; G126-D128 PolarHBondContact O-N 3.09Å
127L94.5Very high95Very high6 Ų629.1 Ų29.13%0.03114%0.143CC..Hα-helixtrans-73.5-11.7175.4-177.958000112.6G91 M94 K95 F99 K101 L104 I123 L124 R125 A129G91-L127 WeakPolarHBondContact O-CA 3.47Å; M94-L127 HydrophobicContact CB-CD1 3.87Å; M94-L127 HydrophobicContact CE-CD2 4.05Å; K95-L127 HydrophobicContact CB-CD1 4.23Å; F99-L127 HydrophobicContact CD1-CD1 4.05Å; F99-L127 HydrophobicContact CD1-CD2 4.06Å; F99-L127 HydrophobicContact CE1-CD2 4.18Å; K101-L127 HydrophobicContact CB-CD2 4.19Å; K101-L127 HydrophobicContact CB-CG 4.38Å; L104-L127 HydrophobicContact CD1-CD2 3.89Å; I123-L127 VanDerWaalsContact O-CB 3.25Å; I123-L127 WeakPolarHBondContact O-CB 3.37Å; I123-L127 PolarHBondContact O-N 3.1Å; L124-L127 PolarHBondContact O-N 2.93Å; R125-L127 VanDerWaalsContact C-N 3.34Å; R125-L127 PolarHBondContact O-N 2.8Å; L127-A129 HydrophobicContact CB-CB 4.41Å; L127-A129 HydrophobicContact CD2-CB 4.19Å; L127-A129 HydrophobicContact CG-CB 4.12Å
128D96.3Very high94.9Very high82 Ų8229.3 Ų29.344%0.43915%0.145SC..THydrogen-bonded Turntrans5750.1-175.1-170.525.6000111.6K95 K101 L124 R125 G126 P130K95-D128 HydrophobicContact CD-CB 3.99Å; K95-D128 VanDerWaalsContact NZ-CB 3.33Å; K95-D128 IonicContact NZ-OD2 3.7Å; K95-D128 PolarHBondContact NZ-OD2 2.9Å; K101-D128 PolarHBondContact NZ-O 3.12Å; L124-D128 PolarHBondContact O-N 2.94Å; R125-D128 PolarHBondContact O-N 3.41Å; R125-D128 VanDerWaalsContact O-N 3.14Å; G126-D128 PolarHBondContact O-N 3.09Å; D128-P130 VanDerWaalsContact O-CD 3.23Å; D128-P130 WeakPolarHBondContact O-CD 3.3Å
129A95.5Very high94.7Very high1 Ų128.3 Ų28.31%0.00814%0.14CC..  trans-115.758.6-177.700000112.6K101 L124 L127 E131 V132K101-A129 HydrophobicContact CB-CB 4.15Å; K101-A129 HydrophobicContact CD-CB 3.77Å; L124-A129 HydrophobicContact CD2-CB 4.26Å; L124-A129 PolarHBondContact O-N 2.85Å; L127-A129 HydrophobicContact CB-CB 4.41Å; L127-A129 HydrophobicContact CD2-CB 4.19Å; L127-A129 HydrophobicContact CG-CB 4.12Å; A129-E131 VanDerWaalsContact C-OE2 3.26Å; A129-E131 WeakPolarHBondContact CA-OE2 3.36Å; A129-E131 PolarHBondContact O-N 3.11Å; A129-E131 VanDerWaalsContact O-N 3.13Å; A129-V132 HydrophobicContact CB-CB 4.32Å; A129-V132 HydrophobicContact CB-CG2 3.99Å; A129-V132 PolarHBondContact O-N 3.06Å; A129-V132 VanDerWaalsContact O-N 3.1Å
130P94.8Very high94.6Very high90 Ų9028.3 Ų28.358%0.58414%0.14SC*.THydrogen-bonded Turntrans-62.6-20.3-177.629.1-37.4000113.5D128 V132 N167D128-P130 VanDerWaalsContact O-CD 3.23Å; D128-P130 WeakPolarHBondContact O-CD 3.3Å; P130-V132 VanDerWaalsContact C-N 3.33Å; P130-N167 PolarHBondContact O-ND2 3.05Å
131E94.1Very high94.3Very high92 Ų9228.3 Ų28.343%0.4314%0.14SC..THydrogen-bonded Turntrans-76.2-19177.672-85.7-151.400114K101 A129K101-E131 WeakPolarHBondContact CD-OE1 3.13Å; K101-E131 WeakPolarHBondContact CE-OE1 3.34Å; K101-E131 VanDerWaalsContact NZ-CD 3.32Å; K101-E131 IonicContact NZ-OE1 3.67Å; K101-E131 PolarHBondContact NZ-OE1 3.37Å; K101-E131 IonicContact NZ-OE2 3.74Å; K101-E131 PolarHBondContact NZ-OE2 3.28Å; A129-E131 VanDerWaalsContact C-OE2 3.26Å; A129-E131 WeakPolarHBondContact CA-OE2 3.36Å; A129-E131 PolarHBondContact O-N 3.11Å; A129-E131 VanDerWaalsContact O-N 3.13Å
132V95.6Very high94Very high2 Ų228 Ų281%0.01214%0.138CC..SBendtrans-88.3120.9-179.2-178.70000108.5L104 V108 L124 A129 P130L104-V132 HydrophobicContact CB-CG1 4.46Å; V108-V132 HydrophobicContact CG1-CG1 3.88Å; L124-V132 HydrophobicContact CD1-CB 4.46Å; L124-V132 HydrophobicContact CD1-CG1 4.25Å; L124-V132 HydrophobicContact CD2-CB 3.99Å; L124-V132 HydrophobicContact CD2-CG1 3.81Å; A129-V132 HydrophobicContact CB-CB 4.32Å; A129-V132 HydrophobicContact CB-CG2 3.99Å; A129-V132 PolarHBondContact O-N 3.06Å; A129-V132 VanDerWaalsContact O-N 3.1Å; P130-V132 VanDerWaalsContact C-N 3.33Å
133K95.1Very high93.5Very high78 Ų7828.3 Ų28.334%0.33914%0.139SC..EExtended strand (participates in β ladder)trans-90.4155.1-179.7-62.1-168.5176.7-172.20112.7R106 Y107 V108 N167 D169R106-K133 PolarHBondContact O-N 3.1Å; Y107-K133 CarbonylContact C-O 3.54Å; Y107-K133 WeakPolarHBondContact CA-O 3.48Å; Y107-K133 WeakPolarHBondContact CB-O 3.33Å; V108-K133 PolarHBondContact N-O 3.48Å; K133-N167 CarbonylContact C-O 3.48Å; K133-N167 VanDerWaalsContact CA-O 3.26Å; K133-N167 WeakPolarHBondContact CA-O 3.26Å; K133-N167 WeakPolarHBondContact CB-O 3.33Å; K133-D169 HydrophobicContact CB-CB 3.83Å; K133-D169 HydrophobicContact CD-CB 3.8Å; K133-D169 IonicContact NZ-OD1 2.68Å
134V95.2Very high92.7Very high1 Ų130.8 Ų30.81%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-92.6117.8172.2-176.70000109.7V108 C110 A120 L124 A166 N167 V168 D169V108-V134 HydrophobicContact CG2-CG2 4.19Å; C110-V134 HydrophobicContact CB-CG1 4.36Å; C110-V134 WeakPolarHBondContact SG-CG1 3.25Å; A120-V134 HydrophobicContact CB-CG1 4.1Å; A120-V134 HydrophobicContact CB-CG2 4.13Å; L124-V134 HydrophobicContact CD1-CG2 3.68Å; V134-A166 HydrophobicContact CG2-CB 4.18Å; V134-N167 PolarHBondContact N-O 3.44Å; V134-V168 CarbonylContact O-C 3.51Å; V134-V168 WeakPolarHBondContact O-CA 3.35Å; V134-D169 PolarHBondContact O-N 3.43Å
135R93.7Very high91.1Very high45 Ų4531.9 Ų31.917%0.1715%0.154CC..EExtended strand (participates in β ladder)trans-95.8121.5173-75.7-178.5169.1-179.5-3.1110.2Y107 V108 Y109 C110 D169 Y172Y107-R135 VanDerWaalsContact CE1-CZ 3.43Å; Y107-R135 HydrophobicContact CG-CG 4.39Å; V108-R135 WeakPolarHBondContact O-CB 3.4Å; V108-R135 PolarHBondContact O-N 3.49Å; Y109-R135 CarbonylContact C-O 3.57Å; Y109-R135 VanDerWaalsContact CA-O 3.25Å; Y109-R135 WeakPolarHBondContact CA-O 3.42Å; Y109-R135 HydrophobicContact CD1-CB 3.66Å; Y109-R135 HydrophobicContact CE1-CB 4.03Å; Y109-R135 HydrophobicContact CG-CB 4.32Å; C110-R135 PolarHBondContact N-O 2.94Å; R135-D169 HydrophobicContact CG-CB 3.84Å; R135-D169 IonicContact CZ-OD2 3.42Å; R135-D169 IonicContact NE-OD2 2.74Å; R135-D169 PolarHBondContact NE-OD2 2.95Å; R135-D169 IonicContact NH2-OD2 2.72Å; R135-D169 PolarHBondContact NH2-OD2 3.22Å; R135-D169 VanDerWaalsContact NH2-OD2 3.12Å; R135-Y172 HydrophobicContact CB-CD1 3.57Å; R135-Y172 HydrophobicContact CB-CD2 4.49Å; R135-Y172 HydrophobicContact CB-CE1 3.75Å; R135-Y172 HydrophobicContact CB-CG 3.95Å; R135-Y172 VanDerWaalsContact CD-CD2 3.42Å; R135-Y172 HydrophobicContact CG-CD1 3.78Å; R135-Y172 HydrophobicContact CG-CD2 3.98Å; R135-Y172 HydrophobicContact CG-CE1 4.27Å; R135-Y172 HydrophobicContact CG-CE2 4.49Å; R135-Y172 HydrophobicContact CG-CG 3.59Å
136I91.5Very high89.1Confident30 Ų3029.1 Ų29.115%0.15415%0.146CC..EExtended strand (participates in β ladder)trans-83.9119.1177.6-64.7176.7000108.5P112 V117 F162 V168 Y172P112-I136 HydrophobicContact CB-CG2 3.46Å; P112-I136 VanDerWaalsContact CB-CG2 3.46Å; P112-I136 HydrophobicContact CG-CG2 4.4Å; V117-I136 HydrophobicContact CG2-CD1 4.38Å; V117-I136 HydrophobicContact CG2-CG1 4.42Å; I136-F162 HydrophobicContact CD1-CD2 3.47Å; I136-F162 VanDerWaalsContact CD1-CD2 3.47Å; I136-F162 HydrophobicContact CD1-CE2 3.58Å; I136-F162 HydrophobicContact CD1-CG 4.06Å; I136-F162 HydrophobicContact CD1-CZ 4.24Å; I136-V168 HydrophobicContact CD1-CG1 3.89Å; I136-V168 HydrophobicContact CD1-CG2 4.42Å; I136-V168 HydrophobicContact CG1-CG1 4.19Å; I136-Y172 WeakPolarHBondContact O-CE1 3.26Å
137E92.4Very high87.1Confident0 Ų030.7 Ų30.70%015%0.152CC..  trans-121.9104-176.8177.351.5-111.400110.4Y109 C110 P112 A139 L140 Y172 P174 V175 V176 L197Y109-E137 HydrophobicContact CD1-CB 4.47Å; C110-E137 PolarHBondContact O-N 3.14Å; P112-E137 WeakPolarHBondContact CD-O 3.28Å; E137-A139 HydrophobicContact CG-CB 3.83Å; E137-A139 PolarHBondContact O-N 2.84Å; E137-A139 VanDerWaalsContact O-N 3.12Å; E137-A139 WeakPolarHBondContact OE1-CB 3.46Å; E137-A139 PolarHBondContact OE1-N 3.27Å; E137-L140 HydrophobicContact CB-CD1 4.16Å; E137-L140 HydrophobicContact CB-CG 4.3Å; E137-L140 HydrophobicContact CG-CG 4.22Å; E137-L140 WeakPolarHBondContact O-CB 3.4Å; E137-L140 PolarHBondContact O-N 3.36Å; E137-Y172 PolarHBondContact OE2-OH 3.36Å; E137-P174 WeakPolarHBondContact OE2-CA 3.34Å; E137-V175 WeakPolarHBondContact OE2-CB 3.42Å; E137-V175 PolarHBondContact OE2-N 2.67Å; E137-V176 PolarHBondContact OE1-N 3.1Å; E137-V176 VanDerWaalsContact OE1-N 3.13Å; E137-L197 HydrophobicContact CG-CD1 3.7Å; E137-L197 HydrophobicContact CG-CD2 3.88Å; E137-L197 HydrophobicContact CG-CG 4.45Å
138P90.2Very high85.1Confident4 Ų438.1 Ų38.13%0.02619%0.186CC..G310 helixtrans-53.7-28.6175.4-29.639.2000114.1L140 S141 W154 P174 V176 A178 W181P138-L140 PolarHBondContact O-N 3.13Å; P138-L140 VanDerWaalsContact O-N 3.11Å; P138-S141 VanDerWaalsContact O-CB 3.24Å; P138-S141 WeakPolarHBondContact O-CB 3.02Å; P138-S141 PolarHBondContact O-N 2.91Å; P138-S141 PolarHBondContact O-OG 3.14Å; P138-W154 HydrophobicContact CB-CH2 3.75Å; P138-W154 HydrophobicContact CB-CZ3 3.93Å; P138-W154 HydrophobicContact CG-CH2 4.2Å; P138-W154 HydrophobicContact CG-CZ3 3.86Å; P138-P174 VanDerWaalsContact CD-CB 3.48Å; P138-P174 HydrophobicContact CG-CB 4.31Å; P138-P174 HydrophobicContact CG-CG 4.48Å; P138-V176 WeakPolarHBondContact CB-O 3.29Å; P138-V176 WeakPolarHBondContact CD-O 3.42Å; P138-V176 VanDerWaalsContact CG-O 3.3Å; P138-V176 WeakPolarHBondContact CG-O 3.38Å; P138-A178 HydrophobicContact CG-CB 4.43Å; P138-W181 HydrophobicContact CB-CB 4.37Å; P138-W181 VanDerWaalsContact O-CD1 3.3Å
139A91.1Very high82.8Confident0 Ų040.8 Ų40.80%020%0.2CC..G310 helixtrans-63.4-9.617300000114.5E137 V176 R193 L194 L197E137-A139 HydrophobicContact CG-CB 3.83Å; E137-A139 PolarHBondContact O-N 2.84Å; E137-A139 VanDerWaalsContact O-N 3.12Å; E137-A139 WeakPolarHBondContact OE1-CB 3.46Å; E137-A139 PolarHBondContact OE1-N 3.27Å; A139-V176 HydrophobicContact CB-CB 3.85Å; A139-V176 HydrophobicContact CB-CG2 3.6Å; A139-R193 HydrophobicContact CB-CG 3.95Å; A139-R193 PolarHBondContact O-NH1 2.9Å; A139-L194 WeakPolarHBondContact O-CD2 3.29Å; A139-L197 HydrophobicContact CB-CB 4.14Å; A139-L197 HydrophobicContact CB-CD1 4.31Å; A139-L197 HydrophobicContact CB-CD2 4.01Å; A139-L197 HydrophobicContact CB-CG 4.37Å
140L93.5Very high80.8Confident0 Ų047.1 Ų47.10%023%0.225CC..G310 helixtrans-95.4-0.8171.7-69.3174.8000113.4S111 E137 P138 L194 L197 L212 S214S111-L140 WeakPolarHBondContact CB-O 3.4Å; E137-L140 HydrophobicContact CB-CD1 4.16Å; E137-L140 HydrophobicContact CB-CG 4.3Å; E137-L140 HydrophobicContact CG-CG 4.22Å; E137-L140 WeakPolarHBondContact O-CB 3.4Å; E137-L140 PolarHBondContact O-N 3.36Å; P138-L140 PolarHBondContact O-N 3.13Å; P138-L140 VanDerWaalsContact O-N 3.11Å; L140-L194 HydrophobicContact CD2-CD2 4.4Å; L140-L197 HydrophobicContact CD1-CD2 4.33Å; L140-L197 HydrophobicContact CD2-CD2 3.37Å; L140-L197 HydrophobicContact CG-CD2 3.51Å; L140-L212 HydrophobicContact CD1-CB 4.13Å; L140-L212 HydrophobicContact CD1-CD2 4.4Å; L140-L212 HydrophobicContact CD2-CB 4.12Å; L140-L212 HydrophobicContact CD2-CD1 4.24Å; L140-S214 PolarHBondContact O-OG 2.76Å
141S90.1Very high78.8Confident3 Ų345.9 Ų45.92%0.02122%0.216CC..SBendtrans-65151.3177.8-56.40000111.8S111 P112 P138 W154 W181 F190 R193S111-S141 WeakPolarHBondContact OG-CA 3.47Å; P112-S141 WeakPolarHBondContact CD-OG 3.41Å; P112-S141 VanDerWaalsContact CG-OG 3.29Å; P112-S141 WeakPolarHBondContact CG-OG 3.2Å; P138-S141 VanDerWaalsContact O-CB 3.24Å; P138-S141 WeakPolarHBondContact O-CB 3.02Å; P138-S141 PolarHBondContact O-N 2.91Å; P138-S141 PolarHBondContact O-OG 3.14Å; S141-W154 WeakPolarHBondContact OG-CZ2 3.29Å; S141-W181 VanDerWaalsContact CB-NE1 3.34Å; S141-F190 WeakPolarHBondContact O-CE2 3.19Å; S141-R193 PolarHBondContact O-NH1 2.86Å; S141-R193 PolarHBondContact O-NH2 2.95Å
142N89.4Confident77Confident25 Ų2542.1 Ų42.113%0.13420%0.2CC..  trans-59.8153.2179.2-159.418.2000112.2K144 H215 S217N142-K144 VanDerWaalsContact C-N 3.33Å; N142-K144 PolarHBondContact ND2-O 3.15Å; N142-K144 VanDerWaalsContact ND2-O 3.15Å; N142-K144 PolarHBondContact O-N 3.31Å; N142-H215 HydrophobicContact CB-CB 4.23Å; N142-H215 PolarHBondContact N-CD2 3.48Å; N142-S217 VanDerWaalsContact OD1-CB 3.31Å; N142-S217 WeakPolarHBondContact OD1-CB 3.48Å; N142-S217 PolarHBondContact OD1-OG 3.25Å
143W86Confident75.3Confident10 Ų1042.9 Ų42.94%0.03821%0.205CC..SBendtrans-55.6-45.5-178.3179.730.4000113.3E185 T186 I187 F190 T236 I239 F243W143-E185 VanDerWaalsContact CD1-CG 3.44Å; W143-E185 PolarHBondContact NE1-O 2.74Å; W143-T186 PolarHBondContact NE1-O 3.14Å; W143-T186 VanDerWaalsContact NE1-O 3.08Å; W143-I187 HydrophobicContact CD2-CD1 3.91Å; W143-I187 HydrophobicContact CE3-CD1 4.07Å; W143-I187 HydrophobicContact CG-CD1 4.41Å; W143-I187 HydrophobicContact CH2-CB 4.05Å; W143-I187 HydrophobicContact CZ2-CB 3.65Å; W143-I187 HydrophobicContact CZ2-CD1 4.41Å; W143-I187 VanDerWaalsContact CZ2-N 3.31Å; W143-I187 HydrophobicContact CZ3-CD1 4.38Å; W143-F190 HydrophobicContact CB-CB 4.3Å; W143-F190 HydrophobicContact CB-CD1 3.7Å; W143-F190 HydrophobicContact CB-CD2 3.79Å; W143-F190 HydrophobicContact CB-CE1 3.87Å; W143-F190 HydrophobicContact CB-CE2 3.97Å; W143-F190 HydrophobicContact CB-CG 3.64Å; W143-F190 HydrophobicContact CB-CZ 3.99Å; W143-F190 AromaticContact CD1-CG 3.65Å; W143-F190 HydrophobicContact CG-CB 3.9Å; W143-F190 AromaticContact CG-CD1 3.94Å; W143-F190 HydrophobicContact CG-CD1 3.94Å; W143-F190 HydrophobicContact CG-CD2 4.31Å; W143-F190 AromaticContact CG-CG 3.78Å; W143-F190 HydrophobicContact CG-CG 3.78Å; W143-T236 HydrophobicContact CZ3-CG2 4.49Å; W143-I239 HydrophobicContact CE3-CG2 3.85Å; W143-I239 HydrophobicContact CH2-CD1 3.73Å; W143-I239 HydrophobicContact CH2-CG2 4.5Å; W143-I239 HydrophobicContact CZ3-CB 3.81Å; W143-I239 HydrophobicContact CZ3-CD1 3.72Å; W143-I239 HydrophobicContact CZ3-CG1 4.39Å; W143-I239 HydrophobicContact CZ3-CG2 3.52Å; W143-F243 HydrophobicContact CB-CE2 4.3Å; W143-F243 AromaticContact CE3-CE2 3.94Å; W143-F243 HydrophobicContact CE3-CE2 3.94Å
144K77.9Confident73.8Confident53 Ų5340 Ų4023%0.2319%0.192CC..SBendtrans-134.1153.8174-65.5-170.1-179.6-173.30109.4N142 T236 I240N142-K144 VanDerWaalsContact C-N 3.33Å; N142-K144 PolarHBondContact ND2-O 3.15Å; N142-K144 VanDerWaalsContact ND2-O 3.15Å; N142-K144 PolarHBondContact O-N 3.31Å; K144-T236 HydrophobicContact CD-CG2 3.54Å; K144-T236 VanDerWaalsContact NZ-CG2 3.33Å; K144-T236 PolarHBondContact NZ-OG1 2.79Å; K144-I240 HydrophobicContact CB-CD1 4.26Å; K144-I240 HydrophobicContact CD-CD1 4.49Å
145H64Low71.7Confident34 Ų3444.9 Ų44.916%0.15721%0.21CC..  trans-63.6143.4-178.6-64.8-34.6000111.9H147 Y150 P152 W181H145-H147 PolarHBondContact O-N 2.92Å; H145-Y150 PolarHBondContact CD2-O 2.67Å; H145-P152 WeakPolarHBondContact CE1-CD 3.44Å; H145-P152 WeakPolarHBondContact CE1-CG 3.23Å; H145-P152 WeakPolarHBondContact NE2-CD 3.11Å; H145-W181 AromaticContact CE1-CH2 2.81Å; H145-W181 WeakPolarHBondContact CE1-CH2 3.24Å; H145-W181 AromaticContact CE1-CZ2 3.68Å; H145-W181 AromaticContact CE1-CZ3 3.17Å; H145-W181 WeakPolarHBondContact CE1-CZ3 3.49Å; H145-W181 AromaticContact ND1-CH2 3.7Å; H145-W181 AromaticContact NE2-CH2 3.18Å; H145-W181 WeakPolarHBondContact NE2-CH2 3.49Å; H145-W181 AromaticContact NE2-CZ3 3.2Å; H145-W181 WeakPolarHBondContact NE2-CZ3 3.29Å
146Q55.2Low69.8Low50 Ų5044.8 Ų44.823%0.23422%0.223CC..THydrogen-bonded Turntrans-64.3-20176-63.5-175.26.900111.7R26R26-Q146 VanDerWaalsContact NH2-NE2 3.14Å
147H52.3Low68Low38 Ų3845 Ų4518%0.17623%0.228CC..THydrogen-bonded Turntrans-119.910.2-173-54.8-69.1000114.9D25 I74 F75 H145 L149D25-H147 IonicContact OD2-CE1 2.64Å; I74-H147 PolarHBondContact O-CE1 3.19Å; I74-H147 PolarHBondContact O-NE2 3.19Å; F75-H147 HydrophobicContact CD1-CB 4.19Å; F75-H147 PolarHBondContact O-CD2 3.28Å; H145-H147 PolarHBondContact O-N 2.92Å; H147-L149 WeakPolarHBondContact O-CB 3.18Å; H147-L149 PolarHBondContact O-N 3Å
148E52.7Low66Low162 Ų16247.1 Ų47.176%0.75724%0.242SC*.SBendtrans56.3-16173-62-177.2173.200118.2
149L48.3Very low64.6Low138 Ų13851.8 Ų51.872%0.72327%0.267SS*.SBendtrans-120.1-17-160-70169000115.8H147H147-L149 WeakPolarHBondContact O-CB 3.18Å; H147-L149 PolarHBondContact O-N 3Å
150Y53.2Low63.3Low135 Ų13557.1 Ų57.153%0.52929%0.288SS..  trans-138137.7-178.7-72.4-88.2000112.3F75 H145F75-Y150 AromaticContact CD1-CD2 3.95Å; F75-Y150 HydrophobicContact CD1-CD2 3.95Å; F75-Y150 HydrophobicContact CD1-CG 4.46Å; F75-Y150 HydrophobicContact CD2-CD2 4.44Å; F75-Y150 HydrophobicContact CD2-CG 4.48Å; F75-Y150 AromaticContact CE1-CD2 3.34Å; F75-Y150 HydrophobicContact CE1-CD2 3.34Å; F75-Y150 AromaticContact CE1-CE2 3.89Å; F75-Y150 HydrophobicContact CE1-CE2 3.89Å; F75-Y150 HydrophobicContact CE1-CG 4.2Å; F75-Y150 AromaticContact CE2-CD2 3.9Å; F75-Y150 HydrophobicContact CE2-CD2 3.9Å; F75-Y150 HydrophobicContact CE2-CE2 4.24Å; F75-Y150 HydrophobicContact CE2-CG 4.22Å; F75-Y150 HydrophobicContact CG-CD2 4.47Å; F75-Y150 AromaticContact CZ-CD2 3.31Å; F75-Y150 HydrophobicContact CZ-CD2 3.31Å; F75-Y150 AromaticContact CZ-CE2 3.52Å; F75-Y150 HydrophobicContact CZ-CE2 3.52Å; F75-Y150 HydrophobicContact CZ-CG 4.08Å; H145-Y150 PolarHBondContact CD2-O 2.67Å
151P53.7Low62.1Low63 Ų6357.5 Ų57.541%0.40929%0.29SS..  trans-57.7150.6165.328.7-33.6000108.3V153P151-V153 PolarHBondContact O-N 2.56Å
152P56.7Low61.4Low13 Ų1357.6 Ų57.68%0.08429%0.29CS..  trans-66.8138.3-174.2-20.938.7000109.4H145 W154 R155H145-P152 WeakPolarHBondContact CE1-CD 3.44Å; H145-P152 WeakPolarHBondContact CE1-CG 3.23Å; H145-P152 WeakPolarHBondContact NE2-CD 3.11Å; P152-W154 HydrophobicContact CB-CD2 3.96Å; P152-W154 HydrophobicContact CB-CG 3.74Å; P152-W154 HydrophobicContact CB-CZ2 4.12Å; P152-W154 HydrophobicContact CG-CZ2 3.77Å; P152-W154 VanDerWaalsContact CG-NE1 3.29Å; P152-W154 PolarHBondContact O-N 3.27Å; P152-R155 PolarHBondContact O-N 3.1Å
153V59.6Low60.2Low19 Ų1959.5 Ų59.512%0.11531%0.306CS..G310 helixtrans-51.9-22.7179.4-172.90000111.8N72 F75 P151 R155 G156 S157N72-V153 HydrophobicContact CB-CG1 4.19Å; N72-V153 HydrophobicContact CB-CG2 3.88Å; F75-V153 HydrophobicContact CB-CG2 4.48Å; P151-V153 PolarHBondContact O-N 2.56Å; V153-R155 PolarHBondContact O-N 2.72Å; V153-R155 VanDerWaalsContact O-N 3.14Å; V153-G156 PolarHBondContact O-N 3.06Å; V153-S157 PolarHBondContact O-N 2.8Å
154W62.6Low59.6Low16 Ų1663.9 Ų63.96%0.06133%0.333CS..G310 helixtrans-64.3-13.6176.262-113.8000115.7P112 P138 S141 P152 G156 S157 A178 W181P112-W154 HydrophobicContact CB-CB 3.96Å; P112-W154 VanDerWaalsContact CB-CD1 3.45Å; P112-W154 HydrophobicContact CB-CD2 3.41Å; P112-W154 VanDerWaalsContact CB-CD2 3.41Å; P112-W154 HydrophobicContact CB-CE3 3.93Å; P112-W154 HydrophobicContact CB-CG 3.4Å; P112-W154 HydrophobicContact CB-CZ2 4.41Å; P112-W154 HydrophobicContact CG-CD2 3.41Å; P112-W154 VanDerWaalsContact CG-CD2 3.41Å; P112-W154 HydrophobicContact CG-CE3 3.91Å; P112-W154 HydrophobicContact CG-CG 3.85Å; P112-W154 HydrophobicContact CG-CH2 4Å; P112-W154 HydrophobicContact CG-CZ2 3.45Å; P112-W154 VanDerWaalsContact CG-CZ2 3.45Å; P112-W154 HydrophobicContact CG-CZ3 4.17Å; P138-W154 HydrophobicContact CB-CH2 3.75Å; P138-W154 HydrophobicContact CB-CZ3 3.93Å; P138-W154 HydrophobicContact CG-CH2 4.2Å; P138-W154 HydrophobicContact CG-CZ3 3.86Å; S141-W154 WeakPolarHBondContact OG-CZ2 3.29Å; P152-W154 HydrophobicContact CB-CD2 3.96Å; P152-W154 HydrophobicContact CB-CG 3.74Å; P152-W154 HydrophobicContact CB-CZ2 4.12Å; P152-W154 HydrophobicContact CG-CZ2 3.77Å; P152-W154 VanDerWaalsContact CG-NE1 3.29Å; P152-W154 PolarHBondContact O-N 3.27Å; W154-G156 PolarHBondContact O-N 3.49Å; W154-S157 WeakPolarHBondContact CA-OG 3.3Å; W154-S157 PolarHBondContact O-N 2.78Å; W154-S157 PolarHBondContact O-OG 3.19Å; W154-A178 HydrophobicContact CE3-CB 4.27Å; W154-A178 HydrophobicContact CZ3-CB 3.67Å; W154-W181 HydrophobicContact CH2-CB 3.93Å; W154-W181 HydrophobicContact CH2-CD2 4.1Å; W154-W181 HydrophobicContact CH2-CE3 4.46Å; W154-W181 AromaticContact CH2-CG 3.81Å; W154-W181 HydrophobicContact CH2-CG 3.81Å; W154-W181 HydrophobicContact CZ2-CD2 4.18Å; W154-W181 HydrophobicContact CZ2-CE3 4.48Å; W154-W181 HydrophobicContact CZ2-CG 4.27Å
155R52.7Low59.7Low104 Ų10462.4 Ų62.439%0.39233%0.328SS..G310 helixtrans-64.2-25.5170.6-68-163.5-156.1174.97.2112.6P152 V153 W181P152-R155 PolarHBondContact O-N 3.1Å; V153-R155 PolarHBondContact O-N 2.72Å; V153-R155 VanDerWaalsContact O-N 3.14Å; R155-W181 VanDerWaalsContact NH2-CE3 3.34Å; R155-W181 VanDerWaalsContact NH2-CZ3 3.32Å
156G52.1Low60.3Low43 Ų4361.4 Ų61.444%0.44333%0.325SS..THydrogen-bonded Turntrans-111.5-0.3174.300000113.7V153 W154 S158V153-G156 PolarHBondContact O-N 3.06Å; W154-G156 PolarHBondContact O-N 3.49Å; G156-S158 PolarHBondContact O-N 2.93Å
157S53.7Low61.8Low36 Ų3662.6 Ų62.625%0.25233%0.333SS..  trans-63105.8-174.555.90000110.4V153 W154V153-S157 PolarHBondContact O-N 2.8Å; W154-S157 WeakPolarHBondContact CA-OG 3.3Å; W154-S157 PolarHBondContact O-N 2.78Å; W154-S157 PolarHBondContact O-OG 3.19Å
158S50.5Low63.7Low44 Ų4461.2 Ų61.231%0.30833%0.328SS..  trans-57.7156.6164.161.30000109.2G156 Y160 T161G156-S158 PolarHBondContact O-N 2.93Å; S158-Y160 PolarHBondContact O-N 3.28Å; S158-Y160 WeakPolarHBondContact OG-CB 3.41Å; S158-T161 PolarHBondContact O-N 3.08Å
159N60.6Low65.5Low102 Ų10254.4 Ų54.455%0.54530%0.297SS..THydrogen-bonded Turntrans-48.9-15174.8-63.3-17.9000113.5S163 F170N159-S163 WeakPolarHBondContact O-CB 3.4Å; N159-S163 PolarHBondContact O-N 3.36Å; N159-S163 VanDerWaalsContact O-N 3.12Å; N159-S163 PolarHBondContact O-OG 2.95Å; N159-F170 HydrophobicContact CB-CD1 3.8Å; N159-F170 HydrophobicContact CB-CE1 3.56Å; N159-F170 HydrophobicContact CB-CE2 4.46Å; N159-F170 HydrophobicContact CB-CG 4.35Å; N159-F170 HydrophobicContact CB-CZ 3.91Å; N159-F170 WeakPolarHBondContact O-CZ 3.16Å; N159-F170 WeakPolarHBondContact OD1-CD1 3.46Å; N159-F170 WeakPolarHBondContact OD1-CE1 3.38Å
160Y63.6Low67.3Low111 Ų11152.1 Ų52.144%0.43528%0.281SS..THydrogen-bonded Turntrans-62.7-43.3179.9-164.4-97.7000115.3K65 S158 F162 S163K65-Y160 HydrophobicContact CB-CD1 4.5Å; K65-Y160 HydrophobicContact CB-CE1 3.72Å; K65-Y160 HydrophobicContact CD-CE1 4.12Å; K65-Y160 WeakPolarHBondContact CD-OH 3.5Å; S158-Y160 PolarHBondContact O-N 3.28Å; S158-Y160 WeakPolarHBondContact OG-CB 3.41Å; Y160-F162 VanDerWaalsContact C-N 3.3Å; Y160-F162 PolarHBondContact O-N 3.15Å; Y160-S163 PolarHBondContact O-OG 3.23Å
161T68.5Low69Low8 Ų849.9 Ų49.95%0.04929%0.29CS..THydrogen-bonded Turntrans-64.2-39.6-174-57.30000111.2R66 S158 I165R66-T161 HydrophobicContact CG-CG2 4.45Å; S158-T161 PolarHBondContact O-N 3.08Å; T161-I165 VanDerWaalsContact O-CD1 3.32Å; T161-I165 WeakPolarHBondContact O-CD1 3.42Å
162F75.6Confident70.8Confident6 Ų648.7 Ų48.73%0.02628%0.278CS..THydrogen-bonded Turntrans-96.9-14-174.4-53.5-59.9000114.1L114 V117 I136 Y160 T164 I165 A166 V168L114-F162 HydrophobicContact CD1-CE1 4.31Å; V117-F162 HydrophobicContact CB-CD1 4.2Å; V117-F162 HydrophobicContact CB-CE1 4.16Å; V117-F162 HydrophobicContact CG1-CD1 3.76Å; V117-F162 HydrophobicContact CG1-CE1 4.22Å; V117-F162 HydrophobicContact CG1-CG 4.4Å; V117-F162 HydrophobicContact CG2-CD1 4.13Å; V117-F162 HydrophobicContact CG2-CE1 3.77Å; V117-F162 HydrophobicContact CG2-CZ 4.24Å; I136-F162 HydrophobicContact CD1-CD2 3.47Å; I136-F162 VanDerWaalsContact CD1-CD2 3.47Å; I136-F162 HydrophobicContact CD1-CE2 3.58Å; I136-F162 HydrophobicContact CD1-CG 4.06Å; I136-F162 HydrophobicContact CD1-CZ 4.24Å; Y160-F162 VanDerWaalsContact C-N 3.3Å; Y160-F162 PolarHBondContact O-N 3.15Å; F162-T164 PolarHBondContact O-N 2.89Å; F162-T164 VanDerWaalsContact O-N 3.1Å; F162-I165 PolarHBondContact O-N 2.95Å; F162-A166 PolarHBondContact O-N 3.17Å; F162-A166 VanDerWaalsContact O-N 3.15Å; F162-V168 HydrophobicContact CB-CG2 3.67Å
163S65.4Low72.3Confident65 Ų6558.7 Ų58.746%0.45531%0.314SS..THydrogen-bonded Turntrans-61.4-21.6-177.559.70000114.2N159 Y160N159-S163 WeakPolarHBondContact O-CB 3.4Å; N159-S163 PolarHBondContact O-N 3.36Å; N159-S163 VanDerWaalsContact O-N 3.12Å; N159-S163 PolarHBondContact O-OG 2.95Å; Y160-S163 PolarHBondContact O-OG 3.23Å
164T73.1Confident73.7Confident101 Ų10160.2 Ų60.262%0.6232%0.324SS*.THydrogen-bonded Turntrans-98.3-7.6178.358.90000113.7F162F162-T164 PolarHBondContact O-N 2.89Å; F162-T164 VanDerWaalsContact O-N 3.1Å
165I79.2Confident74.8Confident23 Ų2361.2 Ų61.212%0.11833%0.332CS..THydrogen-bonded Turntrans-110-40.8-168.2-53.6-179.1000111.4P64 L114 Q118 D121 T161 F162P64-I165 HydrophobicContact CB-CD1 3.61Å; P64-I165 HydrophobicContact CB-CG1 4.37Å; P64-I165 HydrophobicContact CG-CD1 3.98Å; L114-I165 HydrophobicContact CD1-CD1 3.47Å; L114-I165 VanDerWaalsContact CD1-CD1 3.47Å; Q118-I165 HydrophobicContact CG-CG2 3.59Å; D121-I165 WeakPolarHBondContact CB-O 3.36Å; T161-I165 VanDerWaalsContact O-CD1 3.32Å; T161-I165 WeakPolarHBondContact O-CD1 3.42Å; F162-I165 PolarHBondContact O-N 2.95Å
166A76.5Confident76.2Confident12 Ų1257.5 Ų57.510%0.09932%0.321CS..SBendtrans-144.8155.9-170.800000111.5V117 D121 V134 F162 V168V117-A166 HydrophobicContact CG1-CB 3.97Å; D121-A166 HydrophobicContact CB-CB 3.85Å; V134-A166 HydrophobicContact CG2-CB 4.18Å; F162-A166 PolarHBondContact O-N 3.17Å; F162-A166 VanDerWaalsContact O-N 3.15Å; A166-V168 HydrophobicContact CB-CG2 3.79Å; A166-V168 PolarHBondContact O-N 3.35Å
167N88.2Confident77.6Confident75 Ų7557.1 Ų57.140%0.40131%0.313SS..  trans-74.165.5167.8-170.213.9000110.9P130 K133 V134P130-N167 PolarHBondContact O-ND2 3.05Å; K133-N167 CarbonylContact C-O 3.48Å; K133-N167 VanDerWaalsContact CA-O 3.26Å; K133-N167 WeakPolarHBondContact CA-O 3.26Å; K133-N167 WeakPolarHBondContact CB-O 3.33Å; V134-N167 PolarHBondContact N-O 3.44Å
168V90.5Very high78.7Confident10 Ų1057 Ų576%0.06132%0.315CS..BIsolated β-bridgetrans-69.1134.7-176.1179.50000111.3V134 I136 F162 A166 F170V134-V168 CarbonylContact O-C 3.51Å; V134-V168 WeakPolarHBondContact O-CA 3.35Å; I136-V168 HydrophobicContact CD1-CG1 3.89Å; I136-V168 HydrophobicContact CD1-CG2 4.42Å; I136-V168 HydrophobicContact CG1-CG1 4.19Å; F162-V168 HydrophobicContact CB-CG2 3.67Å; A166-V168 HydrophobicContact CB-CG2 3.79Å; A166-V168 PolarHBondContact O-N 3.35Å; V168-F170 HydrophobicContact CB-CD1 4.42Å; V168-F170 HydrophobicContact CB-CE1 3.98Å; V168-F170 HydrophobicContact CB-CE2 4.09Å; V168-F170 HydrophobicContact CB-CZ 3.82Å; V168-F170 HydrophobicContact CG1-CD1 3.91Å; V168-F170 HydrophobicContact CG1-CE1 3.77Å; V168-F170 HydrophobicContact CG1-CG 4.4Å; V168-F170 HydrophobicContact CG1-CZ 4.14Å; V168-F170 PolarHBondContact O-N 2.94Å
169D91.8Very high79.8Confident19 Ų1960.2 Ų60.210%0.10234%0.337CS..  trans-78.880.5172-168.412.1000110.7K133 V134 R135 A171 Y172K133-D169 HydrophobicContact CB-CB 3.83Å; K133-D169 HydrophobicContact CD-CB 3.8Å; K133-D169 IonicContact NZ-OD1 2.68Å; V134-D169 PolarHBondContact O-N 3.43Å; R135-D169 HydrophobicContact CG-CB 3.84Å; R135-D169 IonicContact CZ-OD2 3.42Å; R135-D169 IonicContact NE-OD2 2.74Å; R135-D169 PolarHBondContact NE-OD2 2.95Å; R135-D169 IonicContact NH2-OD2 2.72Å; R135-D169 PolarHBondContact NH2-OD2 3.22Å; R135-D169 VanDerWaalsContact NH2-OD2 3.12Å; D169-A171 PolarHBondContact O-N 3.42Å; D169-A171 VanDerWaalsContact O-N 3.1Å; D169-Y172 WeakPolarHBondContact O-CB 3.44Å; D169-Y172 PolarHBondContact O-N 3.12Å
170F86.2Confident80.6Confident90 Ų9061.3 Ų61.340%0.39534%0.339SS..THydrogen-bonded Turntrans-64.1-12.6178.8-63-66.1000114.3N159 V168 Y172N159-F170 HydrophobicContact CB-CD1 3.8Å; N159-F170 HydrophobicContact CB-CE1 3.56Å; N159-F170 HydrophobicContact CB-CE2 4.46Å; N159-F170 HydrophobicContact CB-CG 4.35Å; N159-F170 HydrophobicContact CB-CZ 3.91Å; N159-F170 WeakPolarHBondContact O-CZ 3.16Å; N159-F170 WeakPolarHBondContact OD1-CD1 3.46Å; N159-F170 WeakPolarHBondContact OD1-CE1 3.38Å; V168-F170 HydrophobicContact CB-CD1 4.42Å; V168-F170 HydrophobicContact CB-CE1 3.98Å; V168-F170 HydrophobicContact CB-CE2 4.09Å; V168-F170 HydrophobicContact CB-CZ 3.82Å; V168-F170 HydrophobicContact CG1-CD1 3.91Å; V168-F170 HydrophobicContact CG1-CE1 3.77Å; V168-F170 HydrophobicContact CG1-CG 4.4Å; V168-F170 HydrophobicContact CG1-CZ 4.14Å; V168-F170 PolarHBondContact O-N 2.94Å; F170-Y172 VanDerWaalsContact C-N 3.33Å
171A89.1Confident81.3Confident88 Ų8856.3 Ų56.373%0.72732%0.319SS*.THydrogen-bonded Turntrans-84.9-9.4172.700000112.7D169 R173D169-A171 PolarHBondContact O-N 3.42Å; D169-A171 VanDerWaalsContact O-N 3.1Å; A171-R173 PolarHBondContact O-N 3.07Å
172Y90.4Very high81.7Confident37 Ų3761.5 Ų61.515%0.14534%0.341CS..  trans-68.5131.8179.8178.3-123.5000111.4Y109 R135 I136 E137 D169 F170 P174Y109-Y172 HydrophobicContact CD1-CE1 4.42Å; Y109-Y172 HydrophobicContact CE1-CE1 4.46Å; Y109-Y172 HydrophobicContact CE1-CE2 4.22Å; Y109-Y172 AromaticContact CE1-CZ 3.83Å; Y109-Y172 WeakPolarHBondContact CE1-OH 3.45Å; R135-Y172 HydrophobicContact CB-CD1 3.57Å; R135-Y172 HydrophobicContact CB-CD2 4.49Å; R135-Y172 HydrophobicContact CB-CE1 3.75Å; R135-Y172 HydrophobicContact CB-CG 3.95Å; R135-Y172 VanDerWaalsContact CD-CD2 3.42Å; R135-Y172 HydrophobicContact CG-CD1 3.78Å; R135-Y172 HydrophobicContact CG-CD2 3.98Å; R135-Y172 HydrophobicContact CG-CE1 4.27Å; R135-Y172 HydrophobicContact CG-CE2 4.49Å; R135-Y172 HydrophobicContact CG-CG 3.59Å; I136-Y172 WeakPolarHBondContact O-CE1 3.26Å; E137-Y172 PolarHBondContact OE2-OH 3.36Å; D169-Y172 WeakPolarHBondContact O-CB 3.44Å; D169-Y172 PolarHBondContact O-N 3.12Å; F170-Y172 VanDerWaalsContact C-N 3.33Å; Y172-P174 HydrophobicContact CD1-CG 4.38Å; Y172-P174 HydrophobicContact CE1-CB 4.19Å; Y172-P174 HydrophobicContact CE1-CG 4.29Å
173R88.8Confident81.4Confident223 Ų22363.4 Ų63.484%0.84236%0.356SS*.  trans-99.5113.3168.9-65.3-175.4-178.1-167.80108.3A171A171-R173 PolarHBondContact O-N 3.07Å
174P88.6Confident82Confident51 Ų5167.4 Ų67.433%0.33137%0.371SS..  trans-60151.8-179.4-22.532.8000112.8E137 P138 Y172 V176E137-P174 WeakPolarHBondContact OE2-CA 3.34Å; P138-P174 VanDerWaalsContact CD-CB 3.48Å; P138-P174 HydrophobicContact CG-CB 4.31Å; P138-P174 HydrophobicContact CG-CG 4.48Å; Y172-P174 HydrophobicContact CD1-CG 4.38Å; Y172-P174 HydrophobicContact CE1-CB 4.19Å; Y172-P174 HydrophobicContact CE1-CG 4.29Å; P174-V176 WeakPolarHBondContact CB-O 3.33Å
175V85.9Confident82.6Confident38 Ų3863 Ų6323%0.2334%0.343CS..SBendtrans-63-48172.5161.60000110.4E137 L197 L200E137-V175 WeakPolarHBondContact OE2-CB 3.42Å; E137-V175 PolarHBondContact OE2-N 2.67Å; V175-L197 HydrophobicContact CB-CD1 4.11Å; V175-L197 HydrophobicContact CG1-CD1 4.31Å; V175-L197 HydrophobicContact CG2-CD1 4.12Å; V175-L200 HydrophobicContact CB-CD1 4.32Å; V175-L200 HydrophobicContact CG1-CD1 3.21Å; V175-L200 HydrophobicContact CG1-CG 4.45Å; V175-L200 HydrophobicContact CG2-CB 4.26Å; V175-L200 HydrophobicContact CG2-CD1 4.19Å
176V82Confident83Confident25 Ų2565.5 Ų65.515%0.15236%0.36CS..SBendtrans-102.9113.5169.7173.60000107.3E137 P138 A139 P174 Q180 R193E137-V176 PolarHBondContact OE1-N 3.1Å; E137-V176 VanDerWaalsContact OE1-N 3.13Å; P138-V176 WeakPolarHBondContact CB-O 3.29Å; P138-V176 WeakPolarHBondContact CD-O 3.42Å; P138-V176 VanDerWaalsContact CG-O 3.3Å; P138-V176 WeakPolarHBondContact CG-O 3.38Å; A139-V176 HydrophobicContact CB-CB 3.85Å; A139-V176 HydrophobicContact CB-CG2 3.6Å; P174-V176 WeakPolarHBondContact CB-O 3.33Å; V176-Q180 HydrophobicContact CG1-CB 4.02Å; V176-R193 HydrophobicContact CG2-CG 4.41Å
177A81.6Confident83.6Confident35 Ų3565.5 Ų65.529%0.28936%0.358SS..  trans-60.5148.6176.100000110.3S179 Q180 W181A177-S179 PolarHBondContact O-N 2.82Å; A177-S179 VanDerWaalsContact O-N 3.11Å; A177-Q180 HydrophobicContact CB-CB 4.5Å; A177-Q180 HydrophobicContact CB-CG 4.1Å; A177-Q180 WeakPolarHBondContact O-CB 3.29Å; A177-Q180 PolarHBondContact O-N 3.03Å; A177-W181 PolarHBondContact O-N 2.92Å
178A76.2Confident83.7Confident35 Ų3565.9 Ų65.929%0.28936%0.357SS..G310 helixtrans-54.5-34.417800000112.9P138 W154 Q180 W181P138-A178 HydrophobicContact CG-CB 4.43Å; W154-A178 HydrophobicContact CE3-CB 4.27Å; W154-A178 HydrophobicContact CZ3-CB 3.67Å; A178-Q180 VanDerWaalsContact C-N 3.32Å; A178-Q180 PolarHBondContact O-N 2.97Å; A178-W181 PolarHBondContact O-N 2.82Å
179S74.5Confident83.7Confident110 Ų11068.6 Ų68.677%0.76937%0.369SS*.G310 helixtrans-70.2-24.2176.354.40000114.2A177A177-S179 PolarHBondContact O-N 2.82Å; A177-S179 VanDerWaalsContact O-N 3.11Å
180Q78.1Confident83.7Confident125 Ų12567.7 Ų67.758%0.58437%0.365SS*.G310 helixtrans-86.4-13.8178.4-66.4173.9-40.500112.3V176 A177 A178 K182V176-Q180 HydrophobicContact CG1-CB 4.02Å; A177-Q180 HydrophobicContact CB-CB 4.5Å; A177-Q180 HydrophobicContact CB-CG 4.1Å; A177-Q180 WeakPolarHBondContact O-CB 3.29Å; A177-Q180 PolarHBondContact O-N 3.03Å; A178-Q180 VanDerWaalsContact C-N 3.32Å; A178-Q180 PolarHBondContact O-N 2.97Å; Q180-K182 PolarHBondContact O-N 2.96Å
181W77.8Confident83.9Confident6 Ų664.8 Ų64.82%0.02335%0.352CS..  trans-70.9124.3178.3-171.585.5000110.9P138 S141 H145 W154 R155 A177 A178P138-W181 HydrophobicContact CB-CB 4.37Å; P138-W181 VanDerWaalsContact O-CD1 3.3Å; S141-W181 VanDerWaalsContact CB-NE1 3.34Å; H145-W181 AromaticContact CE1-CH2 2.81Å; H145-W181 WeakPolarHBondContact CE1-CH2 3.24Å; H145-W181 AromaticContact CE1-CZ2 3.68Å; H145-W181 AromaticContact CE1-CZ3 3.17Å; H145-W181 WeakPolarHBondContact CE1-CZ3 3.49Å; H145-W181 AromaticContact ND1-CH2 3.7Å; H145-W181 AromaticContact NE2-CH2 3.18Å; H145-W181 WeakPolarHBondContact NE2-CH2 3.49Å; H145-W181 AromaticContact NE2-CZ3 3.2Å; H145-W181 WeakPolarHBondContact NE2-CZ3 3.29Å; W154-W181 HydrophobicContact CH2-CB 3.93Å; W154-W181 HydrophobicContact CH2-CD2 4.1Å; W154-W181 HydrophobicContact CH2-CE3 4.46Å; W154-W181 AromaticContact CH2-CG 3.81Å; W154-W181 HydrophobicContact CH2-CG 3.81Å; W154-W181 HydrophobicContact CZ2-CD2 4.18Å; W154-W181 HydrophobicContact CZ2-CE3 4.48Å; W154-W181 HydrophobicContact CZ2-CG 4.27Å; R155-W181 VanDerWaalsContact NH2-CE3 3.34Å; R155-W181 VanDerWaalsContact NH2-CZ3 3.32Å; A177-W181 PolarHBondContact O-N 2.92Å; A178-W181 PolarHBondContact O-N 2.82Å
182K75.9Confident83.9Confident117 Ų11765.3 Ų65.351%0.50934%0.343SS..  trans-104.6130.9-176-58.6-178.1-171.2174.80111.1Q180 L184 E185 E189Q180-K182 PolarHBondContact O-N 2.96Å; K182-L184 VanDerWaalsContact C-N 3.27Å; K182-L184 PolarHBondContact O-N 3.49Å; K182-E185 HydrophobicContact CB-CB 4.29Å; K182-E189 IonicContact NZ-OE1 2.87Å; K182-E189 PolarHBondContact NZ-OE1 2.83Å
183S70.7Confident84Confident47 Ų4764.8 Ų64.833%0.32934%0.341SS..THydrogen-bonded Turntrans-72-20.4175.446.70000114.6
184L78.2Confident84.1Confident148 Ų14854.2 Ų54.278%0.77530%0.301SS*.THydrogen-bonded Turntrans-121.737.6-173.5-60.1175.7000111.3K182K182-L184 VanDerWaalsContact C-N 3.27Å; K182-L184 PolarHBondContact O-N 3.49Å
185E84.7Confident84.2Confident9 Ų955.7 Ų55.74%0.04231%0.309CS..  trans-68.9145.8175.177.1-171.7153.900110.9W143 K182 E189 F190 R193W143-E185 VanDerWaalsContact CD1-CG 3.44Å; W143-E185 PolarHBondContact NE1-O 2.74Å; K182-E185 HydrophobicContact CB-CB 4.29Å; E185-E189 WeakPolarHBondContact CA-OE2 3.36Å; E185-E189 HydrophobicContact CB-CB 3.89Å; E185-F190 HydrophobicContact CG-CB 4.1Å; E185-F190 WeakPolarHBondContact OE1-CD2 3.02Å; E185-R193 IonicContact OE1-CZ 3.53Å; E185-R193 IonicContact OE1-NE 2.78Å; E185-R193 PolarHBondContact OE1-NE 3.42Å; E185-R193 IonicContact OE1-NH2 3.94Å; E185-R193 PolarHBondContact OE1-NH2 3.29Å; E185-R193 IonicContact OE2-CZ 3.71Å; E185-R193 IonicContact OE2-NE 3.64Å; E185-R193 PolarHBondContact OE2-NE 2.94Å; E185-R193 IonicContact OE2-NH2 2.97Å
186T88.5Confident84.5Confident75 Ų7555.6 Ų55.646%0.4632%0.316SS..  trans-68.4163169.662.50000110.7W143 E188 E189 F190W143-T186 PolarHBondContact NE1-O 3.14Å; W143-T186 VanDerWaalsContact NE1-O 3.08Å; T186-E188 PolarHBondContact O-N 2.82Å; T186-E189 PolarHBondContact N-OE2 2.8Å; T186-E189 PolarHBondContact O-N 3.46Å; T186-E189 WeakPolarHBondContact OG1-CB 3.18Å; T186-E189 WeakPolarHBondContact OG1-CG 3.43Å; T186-E189 PolarHBondContact OG1-N 2.88Å; T186-E189 VanDerWaalsContact OG1-N 3.12Å; T186-E189 PolarHBondContact OG1-OE2 3.4Å; T186-F190 PolarHBondContact O-N 3.02Å
187I88.7Confident85Confident13 Ų1354.5 Ų54.57%0.06731%0.309CS..Hα-helixtrans-61.2-32.8177.1-17461.3000111.2W143 F190 M191 L228 L231 K232 I239 F243W143-I187 HydrophobicContact CD2-CD1 3.91Å; W143-I187 HydrophobicContact CE3-CD1 4.07Å; W143-I187 HydrophobicContact CG-CD1 4.41Å; W143-I187 HydrophobicContact CH2-CB 4.05Å; W143-I187 HydrophobicContact CZ2-CB 3.65Å; W143-I187 HydrophobicContact CZ2-CD1 4.41Å; W143-I187 VanDerWaalsContact CZ2-N 3.31Å; W143-I187 HydrophobicContact CZ3-CD1 4.38Å; I187-F190 HydrophobicContact CD1-CD1 3.97Å; I187-F190 WeakPolarHBondContact O-CB 3.43Å; I187-F190 PolarHBondContact O-N 2.97Å; I187-M191 HydrophobicContact CG1-SD 4.41Å; I187-M191 VanDerWaalsContact O-CG 3.24Å; I187-M191 WeakPolarHBondContact O-CG 3.35Å; I187-M191 PolarHBondContact O-N 2.88Å; I187-L228 HydrophobicContact CG1-CD1 4.47Å; I187-L228 HydrophobicContact CG2-CD1 3.85Å; I187-L231 HydrophobicContact CD1-CD1 4.16Å; I187-L231 HydrophobicContact CG1-CB 4.24Å; I187-L231 HydrophobicContact CG1-CD1 3.89Å; I187-K232 HydrophobicContact CG2-CG 4.34Å; I187-I239 HydrophobicContact CD1-CG2 4.44Å; I187-F243 HydrophobicContact CD1-CE2 4.3Å; I187-F243 HydrophobicContact CD1-CZ 3.93Å
188E90.1Very high85.5Confident82 Ų8253.4 Ų53.438%0.38330%0.299SS..Hα-helixtrans-69.1-44.5176.9-176.4166.9179.800112T186 F190 M191 N192 L228 K232T186-E188 PolarHBondContact O-N 2.82Å; E188-F190 VanDerWaalsContact C-N 3.29Å; E188-F190 PolarHBondContact O-N 2.64Å; E188-M191 PolarHBondContact O-N 3.42Å; E188-N192 WeakPolarHBondContact O-CB 3.25Å; E188-N192 PolarHBondContact O-N 3.24Å; E188-N192 PolarHBondContact O-ND2 3.39Å; E188-L228 HydrophobicContact CB-CD1 4.41Å; E188-L228 HydrophobicContact CG-CD2 4.44Å; E188-K232 WeakPolarHBondContact OE2-CE 3.23Å; E188-K232 IonicContact OE2-NZ 2.8Å; E188-K232 PolarHBondContact OE2-NZ 3.33Å
189E90.2Very high86.2Confident67 Ų6753 Ų5331%0.31330%0.298SS..Hα-helixtrans-59.4-40.7172.4-76.1172.9121.200111.6K182 E185 T186 N192 R193K182-E189 IonicContact NZ-OE1 2.87Å; K182-E189 PolarHBondContact NZ-OE1 2.83Å; E185-E189 WeakPolarHBondContact CA-OE2 3.36Å; E185-E189 HydrophobicContact CB-CB 3.89Å; T186-E189 PolarHBondContact N-OE2 2.8Å; T186-E189 PolarHBondContact O-N 3.46Å; T186-E189 WeakPolarHBondContact OG1-CB 3.18Å; T186-E189 WeakPolarHBondContact OG1-CG 3.43Å; T186-E189 PolarHBondContact OG1-N 2.88Å; T186-E189 VanDerWaalsContact OG1-N 3.12Å; T186-E189 PolarHBondContact OG1-OE2 3.4Å; E189-N192 PolarHBondContact O-N 3.09Å; E189-R193 VanDerWaalsContact O-CB 3.29Å; E189-R193 WeakPolarHBondContact O-CB 3.36Å; E189-R193 PolarHBondContact O-N 3.35Å
190F90.6Very high86.9Confident1 Ų149.9 Ų49.90%0.00427%0.273CS..Hα-helixtrans-62.5-45.7175.6175.4-117.5000113S141 W143 E185 T186 I187 E188 R193 L194 S217 V221 F243S141-F190 WeakPolarHBondContact O-CE2 3.19Å; W143-F190 HydrophobicContact CB-CB 4.3Å; W143-F190 HydrophobicContact CB-CD1 3.7Å; W143-F190 HydrophobicContact CB-CD2 3.79Å; W143-F190 HydrophobicContact CB-CE1 3.87Å; W143-F190 HydrophobicContact CB-CE2 3.97Å; W143-F190 HydrophobicContact CB-CG 3.64Å; W143-F190 HydrophobicContact CB-CZ 3.99Å; W143-F190 AromaticContact CD1-CG 3.65Å; W143-F190 HydrophobicContact CG-CB 3.9Å; W143-F190 AromaticContact CG-CD1 3.94Å; W143-F190 HydrophobicContact CG-CD1 3.94Å; W143-F190 HydrophobicContact CG-CD2 4.31Å; W143-F190 AromaticContact CG-CG 3.78Å; W143-F190 HydrophobicContact CG-CG 3.78Å; E185-F190 HydrophobicContact CG-CB 4.1Å; E185-F190 WeakPolarHBondContact OE1-CD2 3.02Å; T186-F190 PolarHBondContact O-N 3.02Å; I187-F190 HydrophobicContact CD1-CD1 3.97Å; I187-F190 WeakPolarHBondContact O-CB 3.43Å; I187-F190 PolarHBondContact O-N 2.97Å; E188-F190 VanDerWaalsContact C-N 3.29Å; E188-F190 PolarHBondContact O-N 2.64Å; F190-R193 VanDerWaalsContact CD2-NH2 3.28Å; F190-R193 WeakPolarHBondContact O-CB 3.33Å; F190-R193 PolarHBondContact O-N 2.87Å; F190-L194 HydrophobicContact CD1-CD1 4.32Å; F190-L194 HydrophobicContact CD2-CD1 4.38Å; F190-L194 HydrophobicContact CE1-CD1 3.71Å; F190-L194 HydrophobicContact CE2-CD1 3.78Å; F190-L194 HydrophobicContact CE2-CG 4.1Å; F190-L194 HydrophobicContact CZ-CD1 3.41Å; F190-L194 VanDerWaalsContact CZ-CD1 3.41Å; F190-L194 HydrophobicContact CZ-CG 4.24Å; F190-L194 PolarHBondContact O-N 3.18Å; F190-L194 VanDerWaalsContact O-N 3.09Å; F190-S217 WeakPolarHBondContact CZ-OG 3.31Å; F190-V221 HydrophobicContact CD1-CG2 4Å; F190-V221 HydrophobicContact CE1-CB 4.48Å; F190-V221 HydrophobicContact CE1-CG2 3.67Å; F190-F243 HydrophobicContact CE1-CE2 4.37Å; F190-F243 HydrophobicContact CE1-CZ 4.32Å
191M90.8Very high87.5Confident28 Ų2844.1 Ų44.114%0.13825%0.246CC..Hα-helixtrans-62.9-45.8176.6-70.3-177.567.300111.1I187 E188 R193 L194 T195 V221 L228 L231I187-M191 HydrophobicContact CG1-SD 4.41Å; I187-M191 VanDerWaalsContact O-CG 3.24Å; I187-M191 WeakPolarHBondContact O-CG 3.35Å; I187-M191 PolarHBondContact O-N 2.88Å; E188-M191 PolarHBondContact O-N 3.42Å; M191-R193 VanDerWaalsContact C-N 3.3Å; M191-R193 PolarHBondContact O-N 2.88Å; M191-L194 PolarHBondContact O-N 3.34Å; M191-T195 PolarHBondContact O-N 3.07Å; M191-T195 PolarHBondContact O-OG1 3.31Å; M191-T195 VanDerWaalsContact O-OG1 3.1Å; M191-V221 HydrophobicContact CB-CG1 4.13Å; M191-V221 HydrophobicContact CE-CG1 4.32Å; M191-V221 HydrophobicContact CG-CB 4.42Å; M191-V221 HydrophobicContact CG-CG1 3.66Å; M191-V221 HydrophobicContact CG-CG2 3.86Å; M191-L228 HydrophobicContact CE-CB 4.15Å; M191-L228 HydrophobicContact SD-CB 3.97Å; M191-L228 HydrophobicContact SD-CD1 3.61Å; M191-L228 HydrophobicContact SD-CG 4.23Å; M191-L231 HydrophobicContact SD-CD1 4.49Å
192N90.7Very high88Confident100 Ų10047.5 Ų47.554%0.53526%0.262SS..Hα-helixtrans-61.3-39.1176.9-71.5-22.4000111.9E188 E189 G196E188-N192 WeakPolarHBondContact O-CB 3.25Å; E188-N192 PolarHBondContact O-N 3.24Å; E188-N192 PolarHBondContact O-ND2 3.39Å; E189-N192 PolarHBondContact O-N 3.09Å; N192-G196 PolarHBondContact O-N 3.14Å
193R91Very high88.5Confident26 Ų2648.7 Ų48.710%0.09827%0.271CS..Hα-helixtrans-61-45.5175.4176.8167.364.184-21.3112.2A139 S141 V176 E185 E189 F190 M191 L197A139-R193 HydrophobicContact CB-CG 3.95Å; A139-R193 PolarHBondContact O-NH1 2.9Å; S141-R193 PolarHBondContact O-NH1 2.86Å; S141-R193 PolarHBondContact O-NH2 2.95Å; V176-R193 HydrophobicContact CG2-CG 4.41Å; E185-R193 IonicContact OE1-CZ 3.53Å; E185-R193 IonicContact OE1-NE 2.78Å; E185-R193 PolarHBondContact OE1-NE 3.42Å; E185-R193 IonicContact OE1-NH2 3.94Å; E185-R193 PolarHBondContact OE1-NH2 3.29Å; E185-R193 IonicContact OE2-CZ 3.71Å; E185-R193 IonicContact OE2-NE 3.64Å; E185-R193 PolarHBondContact OE2-NE 2.94Å; E185-R193 IonicContact OE2-NH2 2.97Å; E189-R193 VanDerWaalsContact O-CB 3.29Å; E189-R193 WeakPolarHBondContact O-CB 3.36Å; E189-R193 PolarHBondContact O-N 3.35Å; F190-R193 VanDerWaalsContact CD2-NH2 3.28Å; F190-R193 WeakPolarHBondContact O-CB 3.33Å; F190-R193 PolarHBondContact O-N 2.87Å; M191-R193 VanDerWaalsContact C-N 3.3Å; M191-R193 PolarHBondContact O-N 2.88Å; R193-L197 PolarHBondContact O-N 3.11Å; R193-L197 VanDerWaalsContact O-N 3.1Å
194L92.5Very high89.4Confident1 Ų154.2 Ų54.21%0.00529%0.285CS..Hα-helixtrans-69-45.4178.8-72.2175.2000112.4A139 L140 F190 M191 L197 T198 A218 V221 L222A139-L194 WeakPolarHBondContact O-CD2 3.29Å; L140-L194 HydrophobicContact CD2-CD2 4.4Å; F190-L194 HydrophobicContact CD1-CD1 4.32Å; F190-L194 HydrophobicContact CD2-CD1 4.38Å; F190-L194 HydrophobicContact CE1-CD1 3.71Å; F190-L194 HydrophobicContact CE2-CD1 3.78Å; F190-L194 HydrophobicContact CE2-CG 4.1Å; F190-L194 HydrophobicContact CZ-CD1 3.41Å; F190-L194 VanDerWaalsContact CZ-CD1 3.41Å; F190-L194 HydrophobicContact CZ-CG 4.24Å; F190-L194 PolarHBondContact O-N 3.18Å; F190-L194 VanDerWaalsContact O-N 3.09Å; M191-L194 PolarHBondContact O-N 3.34Å; L194-L197 WeakPolarHBondContact O-CB 3.43Å; L194-L197 PolarHBondContact O-N 3.41Å; L194-T198 PolarHBondContact O-N 2.88Å; L194-A218 HydrophobicContact CD1-CB 4.17Å; L194-A218 HydrophobicContact CD2-CB 4.23Å; L194-V221 HydrophobicContact CB-CG1 4.46Å; L194-V221 HydrophobicContact CD1-CB 3.91Å; L194-V221 HydrophobicContact CD1-CG1 3.77Å; L194-V221 HydrophobicContact CD1-CG2 4.45Å; L194-L222 HydrophobicContact CB-CD2 4.02Å; L194-L222 HydrophobicContact CB-CG 4.34Å
195T89.6Confident90.1Very high81 Ų8147.6 Ų47.650%0.49725%0.25SC..Hα-helixtrans-66.2-38.6178.2-56.70000111.8M191 L197 T198 G199M191-T195 PolarHBondContact O-N 3.07Å; M191-T195 PolarHBondContact O-OG1 3.31Å; M191-T195 VanDerWaalsContact O-OG1 3.1Å; T195-L197 VanDerWaalsContact C-N 3.33Å; T195-L197 PolarHBondContact O-N 3.5Å; T195-T198 PolarHBondContact O-N 3.43Å; T195-T198 PolarHBondContact O-OG1 3.31Å; T195-G199 PolarHBondContact O-N 3.23Å
196G91.7Very high90.2Very high36 Ų3656.1 Ų56.137%0.37128%0.282SS..Hα-helixtrans-62.4-40.4173.800000112.3N192 G199 L200N192-G196 PolarHBondContact O-N 3.14Å; G196-G199 PolarHBondContact O-N 3.49Å; G196-L200 WeakPolarHBondContact O-CG 3.24Å; G196-L200 PolarHBondContact O-N 3.1Å
197L92.7Very high90.3Very high2 Ų252.6 Ų52.61%0.0126%0.26CS..Hα-helixtrans-62.1-48.6174.6176.666.3000111.7E137 A139 L140 V175 R193 L194 T195 G199 L200 L201E137-L197 HydrophobicContact CG-CD1 3.7Å; E137-L197 HydrophobicContact CG-CD2 3.88Å; E137-L197 HydrophobicContact CG-CG 4.45Å; A139-L197 HydrophobicContact CB-CB 4.14Å; A139-L197 HydrophobicContact CB-CD1 4.31Å; A139-L197 HydrophobicContact CB-CD2 4.01Å; A139-L197 HydrophobicContact CB-CG 4.37Å; L140-L197 HydrophobicContact CD1-CD2 4.33Å; L140-L197 HydrophobicContact CD2-CD2 3.37Å; L140-L197 HydrophobicContact CG-CD2 3.51Å; V175-L197 HydrophobicContact CB-CD1 4.11Å; V175-L197 HydrophobicContact CG1-CD1 4.31Å; V175-L197 HydrophobicContact CG2-CD1 4.12Å; R193-L197 PolarHBondContact O-N 3.11Å; R193-L197 VanDerWaalsContact O-N 3.1Å; L194-L197 WeakPolarHBondContact O-CB 3.43Å; L194-L197 PolarHBondContact O-N 3.41Å; T195-L197 VanDerWaalsContact C-N 3.33Å; T195-L197 PolarHBondContact O-N 3.5Å; L197-G199 VanDerWaalsContact C-N 3.31Å; L197-G199 PolarHBondContact O-N 3.34Å; L197-L200 PolarHBondContact O-N 3.1Å; L197-L200 VanDerWaalsContact O-N 3.14Å; L197-L201 HydrophobicContact CD1-CD1 4.43Å; L197-L201 HydrophobicContact CD1-CG 4.26Å; L197-L201 HydrophobicContact CG-CD1 4.1Å; L197-L201 HydrophobicContact CG-CG 4.38Å; L197-L201 VanDerWaalsContact O-CG 3.3Å; L197-L201 WeakPolarHBondContact O-CG 3.1Å; L197-L201 PolarHBondContact O-N 2.74Å
198T91.5Very high90.4Very high12 Ų1257.2 Ų57.27%0.07428%0.277CS..Hα-helixtrans-62.2-39.2-179.956.90000111.6I15 L194 T195 L200 L201 Q202 L212 L222 L254I15-T198 HydrophobicContact CD1-CG2 4.36Å; L194-T198 PolarHBondContact O-N 2.88Å; T195-T198 PolarHBondContact O-N 3.43Å; T195-T198 PolarHBondContact O-OG1 3.31Å; T198-L200 PolarHBondContact O-N 2.72Å; T198-L201 PolarHBondContact O-N 2.8Å; T198-Q202 VanDerWaalsContact O-CG 3.28Å; T198-Q202 WeakPolarHBondContact O-CG 3.42Å; T198-Q202 PolarHBondContact O-N 3.41Å; T198-Q202 VanDerWaalsContact O-N 3.13Å; T198-Q202 PolarHBondContact O-NE2 3.33Å; T198-L212 HydrophobicContact CG2-CD1 4.42Å; T198-L222 HydrophobicContact CG2-CD1 4.02Å; T198-L222 HydrophobicContact CG2-CD2 3.89Å; T198-L254 HydrophobicContact CG2-CD1 4.22Å
199G91.3Very high90.6Very high27 Ų2753.8 Ų53.828%0.27826%0.261SS..Hα-helixtrans-61.2-41.5172.400000113.3T195 G196 L197 Q202 M203T195-G199 PolarHBondContact O-N 3.23Å; G196-G199 PolarHBondContact O-N 3.49Å; L197-G199 VanDerWaalsContact C-N 3.31Å; L197-G199 PolarHBondContact O-N 3.34Å; G199-Q202 WeakPolarHBondContact O-CB 3.05Å; G199-Q202 PolarHBondContact O-N 3.45Å; G199-M203 PolarHBondContact O-N 3.4Å
200L89.5Confident90.7Very high45 Ų4550.6 Ų50.624%0.23625%0.246CC..Hα-helixtrans-68.7-34.7177.2-77.9162.7000113V175 G196 L197 T198 M203 R204V175-L200 HydrophobicContact CB-CD1 4.32Å; V175-L200 HydrophobicContact CG1-CD1 3.21Å; V175-L200 HydrophobicContact CG1-CG 4.45Å; V175-L200 HydrophobicContact CG2-CB 4.26Å; V175-L200 HydrophobicContact CG2-CD1 4.19Å; G196-L200 WeakPolarHBondContact O-CG 3.24Å; G196-L200 PolarHBondContact O-N 3.1Å; L197-L200 PolarHBondContact O-N 3.1Å; L197-L200 VanDerWaalsContact O-N 3.14Å; T198-L200 PolarHBondContact O-N 2.72Å; L200-M203 HydrophobicContact CD2-CE 3.63Å; L200-M203 HydrophobicContact CG-CE 4.21Å; L200-M203 PolarHBondContact O-N 3.11Å; L200-R204 WeakPolarHBondContact O-CB 3.46Å; L200-R204 WeakPolarHBondContact O-CG 3.43Å; L200-R204 PolarHBondContact O-N 3.31Å
201L90.2Very high91Very high4 Ų451.2 Ų51.22%0.02125%0.249CC..Hα-helixtrans-63.5-42.1174.1-70.5171.3000111.7L12 Y109 L197 T198 M203 R204 H205 L212L12-L201 HydrophobicContact CD2-CB 4.27Å; Y109-L201 HydrophobicContact CD1-CD2 4.27Å; Y109-L201 HydrophobicContact CD2-CD2 3.82Å; Y109-L201 HydrophobicContact CE1-CD2 3.78Å; Y109-L201 HydrophobicContact CE2-CD2 3.29Å; Y109-L201 HydrophobicContact CG-CD2 4.27Å; Y109-L201 WeakPolarHBondContact OH-CD2 3.45Å; L197-L201 HydrophobicContact CD1-CD1 4.43Å; L197-L201 HydrophobicContact CD1-CG 4.26Å; L197-L201 HydrophobicContact CG-CD1 4.1Å; L197-L201 HydrophobicContact CG-CG 4.38Å; L197-L201 VanDerWaalsContact O-CG 3.3Å; L197-L201 WeakPolarHBondContact O-CG 3.1Å; L197-L201 PolarHBondContact O-N 2.74Å; T198-L201 PolarHBondContact O-N 2.8Å; L201-M203 PolarHBondContact O-N 2.84Å; L201-R204 PolarHBondContact O-N 3.17Å; L201-R204 VanDerWaalsContact O-N 3.17Å; L201-H205 WeakPolarHBondContact O-CB 3.3Å; L201-H205 PolarHBondContact O-N 3.2Å; L201-L212 HydrophobicContact CD1-CD1 3.65Å; L201-L212 HydrophobicContact CD1-CD2 3.41Å; L201-L212 VanDerWaalsContact CD1-CD2 3.41Å; L201-L212 HydrophobicContact CD1-CG 4.12Å
202Q89.1Confident91.3Very high77 Ų7749.9 Ų49.936%0.3624%0.243SC..Hα-helixtrans-57.2-33175.9-66.3170.53900112.6L12 I15 T198 G199 W261L12-Q202 HydrophobicContact CD2-CB 4.46Å; L12-Q202 HydrophobicContact CD2-CG 4.07Å; I15-Q202 HydrophobicContact CD1-CG 4.34Å; T198-Q202 VanDerWaalsContact O-CG 3.28Å; T198-Q202 WeakPolarHBondContact O-CG 3.42Å; T198-Q202 PolarHBondContact O-N 3.41Å; T198-Q202 VanDerWaalsContact O-N 3.13Å; T198-Q202 PolarHBondContact O-NE2 3.33Å; G199-Q202 WeakPolarHBondContact O-CB 3.05Å; G199-Q202 PolarHBondContact O-N 3.45Å; Q202-W261 VanDerWaalsContact CD-CE2 3.44Å; Q202-W261 HydrophobicContact CG-CH2 4.36Å; Q202-W261 HydrophobicContact CG-CZ2 3.54Å
203M87.1Confident91.5Very high142 Ų14245.1 Ų45.170%0.722%0.218SC*.Hα-helixtrans-85.7-27.7178.4-64.9-173.2-70.700114.2G199 L200 L201G199-M203 PolarHBondContact O-N 3.4Å; L200-M203 HydrophobicContact CD2-CE 3.63Å; L200-M203 HydrophobicContact CG-CE 4.21Å; L200-M203 PolarHBondContact O-N 3.11Å; L201-M203 PolarHBondContact O-N 2.84Å
204R89.1Confident91.7Very high163 Ų16344 Ų4462%0.61521%0.213SC*.Hα-helixtrans-118.4-24.7-165.2-65.6-173175.3-173.80.7115.2Y107 L200 L201Y107-R204 PolarHBondContact OH-O 2.91Å; L200-R204 WeakPolarHBondContact O-CB 3.46Å; L200-R204 WeakPolarHBondContact O-CG 3.43Å; L200-R204 PolarHBondContact O-N 3.31Å; L201-R204 PolarHBondContact O-N 3.17Å; L201-R204 VanDerWaalsContact O-N 3.17Å
205H91.9Very high91.8Very high9 Ų944 Ų444%0.04221%0.213CC..  trans-71.7130.2179.4-176.884.8000109.7L12 L104 Y107 Y109 L201 G207 V209L12-H205 HydrophobicContact CD2-CB 4.47Å; L104-H205 PolarHBondContact O-CE1 3.15Å; L104-H205 VanDerWaalsContact O-CE1 3.24Å; L104-H205 PolarHBondContact O-NE2 3.02Å; Y107-H205 AromaticContact CD2-ND1 3.63Å; Y107-H205 HydrophobicContact CE2-CB 4.44Å; Y107-H205 AromaticContact CE2-CE1 3.87Å; Y107-H205 AromaticContact CE2-ND1 3.18Å; Y107-H205 WeakPolarHBondContact CE2-ND1 3.46Å; Y107-H205 PolarHBondContact O-CE1 3.34Å; Y109-H205 AromaticContact CE2-ND1 3.56Å; L201-H205 WeakPolarHBondContact O-CB 3.3Å; L201-H205 PolarHBondContact O-N 3.2Å; H205-G207 PolarHBondContact CD2-N 3.36Å; H205-G207 PolarHBondContact CD2-O 3.12Å; H205-G207 VanDerWaalsContact CD2-O 3.24Å; H205-G207 WeakPolarHBondContact NE2-CA 3.2Å; H205-V209 PolarHBondContact NE2-O 3.19Å
206R87.5Confident91.9Very high187 Ų18740.3 Ų40.371%0.70619%0.191SC*.  trans-108.369.8-177.4-63.2-172.6-178.5-180-0.9109.7G105 Y107G105-R206 VanDerWaalsContact CA-O 3.31Å; G105-R206 WeakPolarHBondContact CA-O 3.33Å; Y107-R206 PolarHBondContact OH-N 2.73Å
207G90.5Very high91.9Very high1 Ų138.6 Ų38.61%0.0117%0.174CC..SBendtrans-174.3157.3-173.700000108.9E10 L12 L103 H205E10-G207 PolarHBondContact O-N 3.12Å; L12-G207 WeakPolarHBondContact CA-O 3.41Å; L12-G207 PolarHBondContact N-O 3.28Å; L103-G207 CarbonylContact O-C 3.54Å; H205-G207 PolarHBondContact CD2-N 3.36Å; H205-G207 PolarHBondContact CD2-O 3.12Å; H205-G207 VanDerWaalsContact CD2-O 3.24Å; H205-G207 WeakPolarHBondContact NE2-CA 3.2Å
208R91.9Very high92Very high111 Ų11138.5 Ų38.542%0.41917%0.173SC..SBendtrans-79.8-23.1-179.4-69.3-172.3177.7-179.6-0.2112.8E11 T13 E14 L103E11-R208 WeakPolarHBondContact O-CA 3.47Å; T13-R208 PolarHBondContact N-O 2.97Å; T13-R208 PolarHBondContact OG1-O 3.33Å; E14-R208 PolarHBondContact N-O 3.06Å; L103-R208 HydrophobicContact CD2-CB 4.05Å; L103-R208 HydrophobicContact CD2-CG 4.31Å; L103-R208 PolarHBondContact O-N 2.51Å
209V92.4Very high92Very high9 Ų938 Ų386%0.05517%0.17CC..EExtended strand (participates in β ladder)trans-128.7112.2-176.3-177.50000110.4E14 V16 L103 L104 H205E14-V209 HydrophobicContact CB-CG2 4.3Å; E14-V209 CarbonylContact O-C 3.58Å; E14-V209 WeakPolarHBondContact O-CA 3.36Å; V16-V209 HydrophobicContact CG2-CG1 3.98Å; L103-V209 HydrophobicContact CB-CG2 4.04Å; L103-V209 PolarHBondContact O-N 3.02Å; L104-V209 WeakPolarHBondContact CA-O 3.15Å; L104-V209 HydrophobicContact CD2-CB 4.3Å; L104-V209 HydrophobicContact CD2-CG1 4.12Å; H205-V209 PolarHBondContact NE2-O 3.19Å
210G93.9Very high92Very high0 Ų037.1 Ų37.10%016%0.159CC..EExtended strand (participates in β ladder)trans-91.6110.2173.800000110.4E14 I15 V16E14-G210 PolarHBondContact O-N 3.19Å; I15-G210 CarbonylContact C-O 3.45Å; I15-G210 VanDerWaalsContact CA-O 3.26Å; I15-G210 WeakPolarHBondContact CA-O 3.28Å; V16-G210 PolarHBondContact N-O 3.1Å
211M95.4Very high92Very high14 Ų1435.4 Ų35.47%0.06915%0.151CC..EExtended strand (participates in β ladder)trans-94.3126177.5-173.1-179.7-74.500111.3V16 M94 L104 V108 Y109 I123 I213V16-M211 CarbonylContact O-C 3.54Å; V16-M211 WeakPolarHBondContact O-CA 3.21Å; M94-M211 HydrophobicContact CE-CE 4.11Å; M94-M211 HydrophobicContact SD-CE 4.49Å; L104-M211 HydrophobicContact CD2-CB 4.1Å; L104-M211 HydrophobicContact CD2-CE 4.22Å; V108-M211 HydrophobicContact CB-CB 4.17Å; V108-M211 HydrophobicContact CG1-CB 3.85Å; V108-M211 HydrophobicContact CG1-SD 4.34Å; Y109-M211 PolarHBondContact N-O 3.37Å; I123-M211 HydrophobicContact CG2-SD 4.46Å; M211-I213 HydrophobicContact CG-CD1 3.89Å; M211-I213 HydrophobicContact SD-CD1 4.12Å
212L97Very high92.1Very high0 Ų036.1 Ų36.10%016%0.155CC..EExtended strand (participates in β ladder)trans-119.8112.2-178.8-47.4-175.3000110.2I15 V16 V17 L18 Y109 L140 T198 L201I15-L212 HydrophobicContact CG2-CD1 3.54Å; I15-L212 HydrophobicContact CG2-CG 3.86Å; V16-L212 PolarHBondContact O-N 2.98Å; V17-L212 CarbonylContact C-O 3.52Å; V17-L212 WeakPolarHBondContact CA-O 3.21Å; V17-L212 HydrophobicContact CG2-CD1 4.28Å; L18-L212 PolarHBondContact N-O 2.91Å; Y109-L212 HydrophobicContact CD2-CD2 3.75Å; Y109-L212 HydrophobicContact CG-CD2 4.02Å; Y109-L212 CarbonylContact O-C 3.6Å; Y109-L212 WeakPolarHBondContact O-CA 3.42Å; L140-L212 HydrophobicContact CD1-CB 4.13Å; L140-L212 HydrophobicContact CD1-CD2 4.4Å; L140-L212 HydrophobicContact CD2-CB 4.12Å; L140-L212 HydrophobicContact CD2-CD1 4.24Å; T198-L212 HydrophobicContact CG2-CD1 4.42Å; L201-L212 HydrophobicContact CD1-CD1 3.65Å; L201-L212 HydrophobicContact CD1-CD2 3.41Å; L201-L212 VanDerWaalsContact CD1-CD2 3.41Å; L201-L212 HydrophobicContact CD1-CG 4.12Å
213I96.6Very high92.1Very high1 Ų132.7 Ų32.71%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-95.6116.3176.5-58.581.6000109.1L18 H20 V108 Y109 C110 S111 C116 T119 A120 M211L18-I213 HydrophobicContact CD2-CG1 4.46Å; L18-I213 CarbonylContact O-C 3.56Å; L18-I213 WeakPolarHBondContact O-CA 3.23Å; H20-I213 HydrophobicContact CB-CG2 4.43Å; V108-I213 HydrophobicContact CB-CD1 4.44Å; V108-I213 HydrophobicContact CG2-CD1 4.34Å; Y109-I213 WeakPolarHBondContact O-CD1 3.49Å; Y109-I213 PolarHBondContact O-N 2.87Å; C110-I213 CarbonylContact C-O 3.5Å; C110-I213 VanDerWaalsContact CA-O 3.23Å; C110-I213 WeakPolarHBondContact CA-O 3.35Å; C110-I213 HydrophobicContact CB-CB 3.9Å; S111-I213 PolarHBondContact N-O 3.38Å; C116-I213 HydrophobicContact CB-CG2 4.03Å; C116-I213 WeakPolarHBondContact O-CG2 3.36Å; T119-I213 HydrophobicContact CG2-CG2 4.09Å; A120-I213 HydrophobicContact CB-CD1 3.75Å; A120-I213 HydrophobicContact CB-CG1 4.02Å; M211-I213 HydrophobicContact CG-CD1 3.89Å; M211-I213 HydrophobicContact SD-CD1 4.12Å
214S95Very high92Very high1 Ų131.5 Ų31.51%0.00714%0.137CC..EExtended strand (participates in β ladder)trans-147.3-151.8-172.6-173.10000111.3L18 K19 H20 L140 A218L18-S214 PolarHBondContact O-N 3.05Å; K19-S214 CarbonylContact C-O 3.48Å; K19-S214 WeakPolarHBondContact CA-O 2.89Å; H20-S214 PolarHBondContact CD2-O 2.89Å; H20-S214 PolarHBondContact N-O 2.93Å; L140-S214 PolarHBondContact O-OG 2.76Å; S214-A218 WeakPolarHBondContact OG-CB 3.46Å
215H93.9Very high91.6Very high2 Ų226.1 Ų26.11%0.00912%0.117CC..  trans-107.1167.5-173.7-58.4-90.6000110.3H20 S111 C113 N142 S217 A218H20-H215 AromaticContact CD2-ND1 3.72Å; H20-H215 AromaticContact NE2-ND1 3.69Å; S111-H215 PolarHBondContact OG-NE2 2.6Å; S111-H215 VanDerWaalsContact OG-NE2 3.07Å; C113-H215 VanDerWaalsContact SG-CE1 3.6Å; N142-H215 HydrophobicContact CB-CB 4.23Å; N142-H215 PolarHBondContact N-CD2 3.48Å; H215-S217 PolarHBondContact O-N 3.05Å; H215-S217 VanDerWaalsContact O-N 3.15Å; H215-A218 PolarHBondContact O-N 3.48Å; H215-A218 VanDerWaalsContact O-N 3.08Å
216G92.2Very high91.1Very high3 Ų327.4 Ų27.43%0.03112%0.123CC..Hα-helixtrans-57.4-29.9175.100000113.4A218 I219 S220G216-A218 VanDerWaalsContact C-N 3.35Å; G216-A218 PolarHBondContact O-N 3.15Å; G216-I219 PolarHBondContact O-N 2.92Å; G216-S220 PolarHBondContact O-N 3.48Å; G216-S220 PolarHBondContact O-OG 3.23Å
217S92.2Very high90.7Very high1 Ų122.1 Ų22.11%0.00711%0.109CC..Hα-helixtrans-60.5-39.3175.354.60000113.5N142 F190 H215 I219 S220 V221N142-S217 VanDerWaalsContact OD1-CB 3.31Å; N142-S217 WeakPolarHBondContact OD1-CB 3.48Å; N142-S217 PolarHBondContact OD1-OG 3.25Å; F190-S217 WeakPolarHBondContact CZ-OG 3.31Å; H215-S217 PolarHBondContact O-N 3.05Å; H215-S217 VanDerWaalsContact O-N 3.15Å; S217-I219 VanDerWaalsContact C-N 3.34Å; S217-S220 PolarHBondContact O-N 3.06Å; S217-V221 WeakPolarHBondContact O-CB 3.35Å; S217-V221 WeakPolarHBondContact O-CG2 3.11Å; S217-V221 PolarHBondContact O-N 2.86Å
218A93.7Very high90.4Very high0 Ų024 Ų240%012%0.119CC..Hα-helixtrans-65.9-38.5176.800000111.6V17 L194 S214 H215 G216 L222V17-A218 HydrophobicContact CG1-CB 4.14Å; L194-A218 HydrophobicContact CD1-CB 4.17Å; L194-A218 HydrophobicContact CD2-CB 4.23Å; S214-A218 WeakPolarHBondContact OG-CB 3.46Å; H215-A218 PolarHBondContact O-N 3.48Å; H215-A218 VanDerWaalsContact O-N 3.08Å; G216-A218 VanDerWaalsContact C-N 3.35Å; G216-A218 PolarHBondContact O-N 3.15Å; A218-L222 VanDerWaalsContact O-CB 3.24Å; A218-L222 WeakPolarHBondContact O-CB 3.49Å; A218-L222 WeakPolarHBondContact O-CG 3.48Å; A218-L222 PolarHBondContact O-N 2.79Å
219I92.4Very high90.1Very high2 Ų223.8 Ų23.81%0.0113%0.126CC..Hα-helixtrans-64.7-47.5174.3-65.2-178.6000110.6V17 K19 G216 S217 V221 G223 Y225 V246 T250 L252V17-I219 HydrophobicContact CG1-CG1 4.14Å; K19-I219 HydrophobicContact CB-CD1 3.68Å; G216-I219 PolarHBondContact O-N 2.92Å; S217-I219 VanDerWaalsContact C-N 3.34Å; I219-V221 VanDerWaalsContact C-N 3.34Å; I219-V221 PolarHBondContact O-N 3.1Å; I219-G223 WeakPolarHBondContact O-CA 3.24Å; I219-G223 PolarHBondContact O-N 3.36Å; I219-Y225 HydrophobicContact CG2-CD2 4.43Å; I219-Y225 HydrophobicContact CG2-CE2 4.06Å; I219-Y225 WeakPolarHBondContact O-CD2 3.48Å; I219-V246 HydrophobicContact CB-CG1 4.28Å; I219-V246 HydrophobicContact CD1-CG1 3.9Å; I219-V246 HydrophobicContact CG2-CG1 4.22Å; I219-T250 HydrophobicContact CD1-CG2 4.12Å; I219-T250 WeakPolarHBondContact CD1-O 3.35Å; I219-L252 HydrophobicContact CG2-CB 4.26Å
220S90.5Very high89.8Confident7 Ų728 Ų285%0.04915%0.149CC..Hα-helixtrans-58.9-43.8178.7-62.60000112.8G216 S217 Y225G216-S220 PolarHBondContact O-N 3.48Å; G216-S220 PolarHBondContact O-OG 3.23Å; S217-S220 PolarHBondContact O-N 3.06Å; S220-Y225 PolarHBondContact O-N 3.36Å
221V90.3Very high89.4Confident9 Ų928.1 Ų28.16%0.05515%0.149CC..Hα-helixtrans-74.3-55.1-178.9164.70000112F190 M191 L194 S217 I219 G223 N224 F243F190-V221 HydrophobicContact CD1-CG2 4Å; F190-V221 HydrophobicContact CE1-CB 4.48Å; F190-V221 HydrophobicContact CE1-CG2 3.67Å; M191-V221 HydrophobicContact CB-CG1 4.13Å; M191-V221 HydrophobicContact CE-CG1 4.32Å; M191-V221 HydrophobicContact CG-CB 4.42Å; M191-V221 HydrophobicContact CG-CG1 3.66Å; M191-V221 HydrophobicContact CG-CG2 3.86Å; L194-V221 HydrophobicContact CB-CG1 4.46Å; L194-V221 HydrophobicContact CD1-CB 3.91Å; L194-V221 HydrophobicContact CD1-CG1 3.77Å; L194-V221 HydrophobicContact CD1-CG2 4.45Å; S217-V221 WeakPolarHBondContact O-CB 3.35Å; S217-V221 WeakPolarHBondContact O-CG2 3.11Å; S217-V221 PolarHBondContact O-N 2.86Å; I219-V221 VanDerWaalsContact C-N 3.34Å; I219-V221 PolarHBondContact O-N 3.1Å; V221-G223 VanDerWaalsContact C-N 3.26Å; V221-G223 PolarHBondContact O-N 3.4Å; V221-N224 PolarHBondContact O-N 3.45Å; V221-F243 HydrophobicContact CG2-CE1 4.46Å; V221-F243 HydrophobicContact CG2-CZ 4.28Å
222L91.2Very high88.9Confident19 Ų1932.7 Ų32.710%0.09917%0.169CC..Hα-helixtrans-70.5-25.5-175.3-67.2174.3000112.3V17 L194 T198 A218 L252V17-L222 HydrophobicContact CG1-CD1 4.42Å; V17-L222 HydrophobicContact CG2-CD1 3.75Å; L194-L222 HydrophobicContact CB-CD2 4.02Å; L194-L222 HydrophobicContact CB-CG 4.34Å; T198-L222 HydrophobicContact CG2-CD1 4.02Å; T198-L222 HydrophobicContact CG2-CD2 3.89Å; A218-L222 VanDerWaalsContact O-CB 3.24Å; A218-L222 WeakPolarHBondContact O-CB 3.49Å; A218-L222 WeakPolarHBondContact O-CG 3.48Å; A218-L222 PolarHBondContact O-N 2.79Å; L222-L252 HydrophobicContact CB-CD2 3.72Å
223G88.4Confident88.6Confident5 Ų539.7 Ų39.75%0.05221%0.205CC..THydrogen-bonded Turntrans-80.8-4.7173.600000113.7I219 V221 Y225I219-G223 WeakPolarHBondContact O-CA 3.24Å; I219-G223 PolarHBondContact O-N 3.36Å; V221-G223 VanDerWaalsContact C-N 3.26Å; V221-G223 PolarHBondContact O-N 3.4Å; G223-Y225 PolarHBondContact O-N 2.64Å
224N85.5Confident88.1Confident118 Ų11842.2 Ų42.263%0.63122%0.218SC*.THydrogen-bonded Turntrans53.335.3-174.4-163.334.8000113.1V221 L226V221-N224 PolarHBondContact O-N 3.45Å; N224-L226 VanDerWaalsContact C-N 3.26Å; N224-L226 PolarHBondContact O-N 3.45Å
225Y81.7Confident87.8Confident50 Ų5045.1 Ų45.120%0.19624%0.239CC..  trans-78.7-13.8179.8-60.3-53.5000113.2I219 S220 G223 L252 L265 L274I219-Y225 HydrophobicContact CG2-CD2 4.43Å; I219-Y225 HydrophobicContact CG2-CE2 4.06Å; I219-Y225 WeakPolarHBondContact O-CD2 3.48Å; S220-Y225 PolarHBondContact O-N 3.36Å; G223-Y225 PolarHBondContact O-N 2.64Å; Y225-L252 HydrophobicContact CE2-CD1 4.46Å; Y225-L252 WeakPolarHBondContact OH-CD1 3.33Å; Y225-L265 HydrophobicContact CE2-CD1 4.07Å; Y225-L265 VanDerWaalsContact OH-CB 3.25Å; Y225-L265 WeakPolarHBondContact OH-CB 3.5Å; Y225-L265 WeakPolarHBondContact OH-CD1 3.35Å; Y225-L274 HydrophobicContact CD1-CD2 3.44Å; Y225-L274 VanDerWaalsContact CD1-CD2 3.44Å; Y225-L274 HydrophobicContact CD2-CD2 3.95Å; Y225-L274 HydrophobicContact CE1-CD2 3.6Å; Y225-L274 HydrophobicContact CE2-CD2 4.07Å; Y225-L274 HydrophobicContact CG-CD2 3.67Å
226L79.8Confident87.5Confident35 Ų3547.6 Ų47.618%0.18325%0.254CS..SBendtrans-132120.7178.6-59.6172.7000107.8N224 L231 Q242 F243N224-L226 VanDerWaalsContact C-N 3.26Å; N224-L226 PolarHBondContact O-N 3.45Å; L226-L231 HydrophobicContact CB-CD1 3.86Å; L226-L231 HydrophobicContact CB-CD2 3.93Å; L226-L231 HydrophobicContact CB-CG 3.94Å; L226-L231 HydrophobicContact CD1-CD2 3.95Å; L226-L231 HydrophobicContact CG-CD2 4.43Å; L226-Q242 HydrophobicContact CD1-CB 4.19Å; L226-F243 HydrophobicContact CD1-CD1 4.02Å; L226-F243 HydrophobicContact CD1-CE1 3.73Å
227N80.6Confident87.2Confident77 Ų7751.4 Ų51.441%0.41228%0.28SS..  trans-71.7135.7177.8-172.4-41.5000109.8N229 D230 L231N227-N229 PolarHBondContact O-N 3.29Å; N227-N229 WeakPolarHBondContact OD1-CB 3.23Å; N227-N229 PolarHBondContact OD1-N 2.96Å; N227-D230 HydrophobicContact CB-CB 4.3Å; N227-D230 WeakPolarHBondContact CB-OD2 3.32Å; N227-D230 PolarHBondContact O-N 3.42Å; N227-D230 VanDerWaalsContact O-N 3.09Å; N227-L231 WeakPolarHBondContact O-CG 3.44Å; N227-L231 PolarHBondContact O-N 3.01Å
228L83.4Confident87.1Confident39 Ų3957.6 Ų57.620%0.20431%0.307CS..Hα-helixtrans-54.9-38.7176.9176.460.4000112.3I187 E188 M191 D230 L231 K232I187-L228 HydrophobicContact CG1-CD1 4.47Å; I187-L228 HydrophobicContact CG2-CD1 3.85Å; E188-L228 HydrophobicContact CB-CD1 4.41Å; E188-L228 HydrophobicContact CG-CD2 4.44Å; M191-L228 HydrophobicContact CE-CB 4.15Å; M191-L228 HydrophobicContact SD-CB 3.97Å; M191-L228 HydrophobicContact SD-CD1 3.61Å; M191-L228 HydrophobicContact SD-CG 4.23Å; L228-D230 VanDerWaalsContact C-N 3.35Å; L228-L231 PolarHBondContact O-N 3.4Å; L228-K232 HydrophobicContact CD1-CD 4.37Å; L228-K232 HydrophobicContact CD1-CG 4.14Å; L228-K232 HydrophobicContact CG-CD 4.3Å; L228-K232 HydrophobicContact CG-CG 4.48Å; L228-K232 WeakPolarHBondContact O-CG 3.33Å; L228-K232 PolarHBondContact O-N 3.26Å
229N86.4Confident86.8Confident107 Ų10757.8 Ų57.857%0.57231%0.308SS*.Hα-helixtrans-63.6-41.8178.5-67.6-25000111.3N227 K232 L233N227-N229 PolarHBondContact O-N 3.29Å; N227-N229 WeakPolarHBondContact OD1-CB 3.23Å; N227-N229 PolarHBondContact OD1-N 2.96Å; N229-K232 PolarHBondContact O-N 3.28Å; N229-L233 WeakPolarHBondContact O-CG 3.47Å
230D85.1Confident86.6Confident99 Ų9959.1 Ų59.153%0.52932%0.315SS..Hα-helixtrans-67.6-41.6176.3-61.5-22.2000110.9N227 L228 K232 L233 L234N227-D230 HydrophobicContact CB-CB 4.3Å; N227-D230 WeakPolarHBondContact CB-OD2 3.32Å; N227-D230 PolarHBondContact O-N 3.42Å; N227-D230 VanDerWaalsContact O-N 3.09Å; L228-D230 VanDerWaalsContact C-N 3.35Å; D230-K232 VanDerWaalsContact C-N 3.33Å; D230-K232 PolarHBondContact O-N 3.16Å; D230-L233 WeakPolarHBondContact O-CB 3.16Å; D230-L233 PolarHBondContact O-N 2.97Å; D230-L233 VanDerWaalsContact O-N 3.15Å; D230-L234 WeakPolarHBondContact O-CG 3.17Å
231L85.2Confident86.5Confident2 Ų267.5 Ų67.51%0.0135%0.346CS..Hα-helixtrans-62.7-38.9178.2-70.4177.5000112.3I187 M191 L226 N227 L228 L233 L234 I239I187-L231 HydrophobicContact CD1-CD1 4.16Å; I187-L231 HydrophobicContact CG1-CB 4.24Å; I187-L231 HydrophobicContact CG1-CD1 3.89Å; M191-L231 HydrophobicContact SD-CD1 4.49Å; L226-L231 HydrophobicContact CB-CD1 3.86Å; L226-L231 HydrophobicContact CB-CD2 3.93Å; L226-L231 HydrophobicContact CB-CG 3.94Å; L226-L231 HydrophobicContact CD1-CD2 3.95Å; L226-L231 HydrophobicContact CG-CD2 4.43Å; N227-L231 WeakPolarHBondContact O-CG 3.44Å; N227-L231 PolarHBondContact O-N 3.01Å; L228-L231 PolarHBondContact O-N 3.4Å; L231-L233 PolarHBondContact O-N 3.12Å; L231-L234 HydrophobicContact CD2-CD1 4.42Å; L231-L234 PolarHBondContact O-N 3.43Å; L231-L234 VanDerWaalsContact O-N 3.09Å; L231-I239 HydrophobicContact CD2-CG1 4.06Å; L231-I239 HydrophobicContact CD2-CG2 4.04Å; L231-I239 WeakPolarHBondContact O-CD1 2.92Å
232K86.6Confident86.3Confident110 Ų11070.3 Ų70.348%0.47836%0.358SS..Hα-helixtrans-61.9-23.6177.1-76.1179.9177.7-173.50112.9I187 E188 L228 N229 D230I187-K232 HydrophobicContact CG2-CG 4.34Å; E188-K232 WeakPolarHBondContact OE2-CE 3.23Å; E188-K232 IonicContact OE2-NZ 2.8Å; E188-K232 PolarHBondContact OE2-NZ 3.33Å; L228-K232 HydrophobicContact CD1-CD 4.37Å; L228-K232 HydrophobicContact CD1-CG 4.14Å; L228-K232 HydrophobicContact CG-CD 4.3Å; L228-K232 HydrophobicContact CG-CG 4.48Å; L228-K232 WeakPolarHBondContact O-CG 3.33Å; L228-K232 PolarHBondContact O-N 3.26Å; N229-K232 PolarHBondContact O-N 3.28Å; D230-K232 VanDerWaalsContact C-N 3.33Å; D230-K232 PolarHBondContact O-N 3.16Å
233L88.8Confident86.2Confident146 Ų14669.9 Ų69.976%0.76436%0.355SS*.THydrogen-bonded Turntrans-85.6-12.4177.8-61.2173.2000113.5N229 D230 L231N229-L233 WeakPolarHBondContact O-CG 3.47Å; D230-L233 WeakPolarHBondContact O-CB 3.16Å; D230-L233 PolarHBondContact O-N 2.97Å; D230-L233 VanDerWaalsContact O-N 3.15Å; L231-L233 PolarHBondContact O-N 3.12Å
234L87.5Confident86.2Confident54 Ų5475.2 Ų75.228%0.28338%0.377SS..SBendtrans-94.3148.2-177.4-63.5178.2000111.7D230 L231 K238 I239D230-L234 WeakPolarHBondContact O-CG 3.17Å; L231-L234 HydrophobicContact CD2-CD1 4.42Å; L231-L234 PolarHBondContact O-N 3.43Å; L231-L234 VanDerWaalsContact O-N 3.09Å; L234-K238 HydrophobicContact CB-CB 4.2Å; L234-K238 HydrophobicContact CD2-CD 4.06Å; L234-I239 HydrophobicContact CB-CD1 4.28Å; L234-I239 HydrophobicContact CB-CG1 3.71Å; L234-I239 HydrophobicContact CD1-CG1 4.36Å
235S88.5Confident86.3Confident63 Ų6373.3 Ų73.344%0.44137%0.367SS..  trans-66.9153.1168.569.30000110.8S237 K238 I239S235-S237 PolarHBondContact O-N 3.42Å; S235-S237 VanDerWaalsContact O-N 3.15Å; S235-K238 WeakPolarHBondContact O-CB 3.2Å; S235-K238 PolarHBondContact O-N 3.41Å; S235-K238 WeakPolarHBondContact OG-CG 2.81Å; S235-I239 PolarHBondContact O-N 3.47Å; S235-I239 VanDerWaalsContact O-N 3.14Å
236T87.1Confident86.7Confident53 Ų5371.7 Ų71.733%0.32536%0.362SS..Hα-helixtrans-49.3-44.7177.6-73.30000112W143 K144 K238 I239 I240W143-T236 HydrophobicContact CZ3-CG2 4.49Å; K144-T236 HydrophobicContact CD-CG2 3.54Å; K144-T236 VanDerWaalsContact NZ-CG2 3.33Å; K144-T236 PolarHBondContact NZ-OG1 2.79Å; T236-K238 VanDerWaalsContact C-N 3.34Å; T236-K238 PolarHBondContact O-N 3.19Å; T236-I239 PolarHBondContact O-N 3.1Å; T236-I240 HydrophobicContact CG2-CD1 3.67Å; T236-I240 HydrophobicContact CG2-CG1 4.35Å; T236-I240 WeakPolarHBondContact O-CG1 3.18Å; T236-I240 PolarHBondContact O-N 3.03Å
237S86.4Confident87.3Confident84 Ų8471.6 Ų71.659%0.58736%0.363SS*.Hα-helixtrans-64.7-35.6-179.1-43.80000112.8S235 R241S235-S237 PolarHBondContact O-N 3.42Å; S235-S237 VanDerWaalsContact O-N 3.15Å; S237-R241 WeakPolarHBondContact O-CB 3.15Å; S237-R241 PolarHBondContact O-N 3.32Å
238K89.1Confident87.8Confident130 Ų13069.9 Ų69.957%0.56536%0.356SS*.Hα-helixtrans-67.6-42.9176.1-74.8-179.5-178.5179.70111.3L234 S235 T236 R241 Q242L234-K238 HydrophobicContact CB-CB 4.2Å; L234-K238 HydrophobicContact CD2-CD 4.06Å; S235-K238 WeakPolarHBondContact O-CB 3.2Å; S235-K238 PolarHBondContact O-N 3.41Å; S235-K238 WeakPolarHBondContact OG-CG 2.81Å; T236-K238 VanDerWaalsContact C-N 3.34Å; T236-K238 PolarHBondContact O-N 3.19Å; K238-R241 WeakPolarHBondContact O-CB 3.35Å; K238-R241 PolarHBondContact O-N 3.31Å; K238-Q242 PolarHBondContact O-N 3.32Å
239I89.1Confident88.3Confident4 Ų468.8 Ų68.82%0.02135%0.351CS..Hα-helixtrans-62.7-47.8176.4-59.2169.1000110.4W143 I187 L231 L234 S235 T236 R241 Q242 F243W143-I239 HydrophobicContact CE3-CG2 3.85Å; W143-I239 HydrophobicContact CH2-CD1 3.73Å; W143-I239 HydrophobicContact CH2-CG2 4.5Å; W143-I239 HydrophobicContact CZ3-CB 3.81Å; W143-I239 HydrophobicContact CZ3-CD1 3.72Å; W143-I239 HydrophobicContact CZ3-CG1 4.39Å; W143-I239 HydrophobicContact CZ3-CG2 3.52Å; I187-I239 HydrophobicContact CD1-CG2 4.44Å; L231-I239 HydrophobicContact CD2-CG1 4.06Å; L231-I239 HydrophobicContact CD2-CG2 4.04Å; L231-I239 WeakPolarHBondContact O-CD1 2.92Å; L234-I239 HydrophobicContact CB-CD1 4.28Å; L234-I239 HydrophobicContact CB-CG1 3.71Å; L234-I239 HydrophobicContact CD1-CG1 4.36Å; S235-I239 PolarHBondContact O-N 3.47Å; S235-I239 VanDerWaalsContact O-N 3.14Å; T236-I239 PolarHBondContact O-N 3.1Å; I239-R241 VanDerWaalsContact C-N 3.26Å; I239-R241 PolarHBondContact O-N 3.36Å; I239-Q242 WeakPolarHBondContact O-CB 3.45Å; I239-Q242 PolarHBondContact O-N 3.28Å; I239-Q242 VanDerWaalsContact O-N 3.1Å; I239-F243 HydrophobicContact CG2-CD2 4.02Å; I239-F243 HydrophobicContact CG2-CE1 4.29Å; I239-F243 HydrophobicContact CG2-CE2 3.5Å; I239-F243 VanDerWaalsContact CG2-CE2 3.5Å; I239-F243 HydrophobicContact CG2-CZ 3.66Å; I239-F243 PolarHBondContact O-N 3.46Å
240I87.9Confident88.6Confident31 Ų3164 Ų6416%0.15933%0.325CS..Hα-helixtrans-58.8-40.8176.9-69.9171.4000110.8K144 T236 F243 K244K144-I240 HydrophobicContact CB-CD1 4.26Å; K144-I240 HydrophobicContact CD-CD1 4.49Å; T236-I240 HydrophobicContact CG2-CD1 3.67Å; T236-I240 HydrophobicContact CG2-CG1 4.35Å; T236-I240 WeakPolarHBondContact O-CG1 3.18Å; T236-I240 PolarHBondContact O-N 3.03Å; I240-F243 PolarHBondContact O-N 2.93Å; I240-K244 HydrophobicContact CG2-CD 4.12Å; I240-K244 HydrophobicContact CG2-CG 4.4Å; I240-K244 WeakPolarHBondContact O-CG 3.32Å; I240-K244 PolarHBondContact O-N 3.43Å
241R87.2Confident88.9Confident183 Ų18360.1 Ų60.169%0.69131%0.306SS*.Hα-helixtrans-59.7-46.5175.4-174.6178177.2179.9-1110.9S237 K238 I239 F243 K244 L245S237-R241 WeakPolarHBondContact O-CB 3.15Å; S237-R241 PolarHBondContact O-N 3.32Å; K238-R241 WeakPolarHBondContact O-CB 3.35Å; K238-R241 PolarHBondContact O-N 3.31Å; I239-R241 VanDerWaalsContact C-N 3.26Å; I239-R241 PolarHBondContact O-N 3.36Å; R241-F243 PolarHBondContact O-N 2.91Å; R241-K244 PolarHBondContact O-N 2.98Å; R241-L245 WeakPolarHBondContact O-CG 3.35Å; R241-L245 PolarHBondContact O-N 3.32Å
242Q86.7Confident89.2Confident67 Ų6760 Ų6031%0.31331%0.305SS..Hα-helixtrans-58.1-47.9176.7-71.9177-23.200112L226 K238 I239 K244 L245L226-Q242 HydrophobicContact CD1-CB 4.19Å; K238-Q242 PolarHBondContact O-N 3.32Å; I239-Q242 WeakPolarHBondContact O-CB 3.45Å; I239-Q242 PolarHBondContact O-N 3.28Å; I239-Q242 VanDerWaalsContact O-N 3.1Å; Q242-K244 VanDerWaalsContact C-N 3.28Å; Q242-K244 PolarHBondContact O-N 2.96Å; Q242-L245 WeakPolarHBondContact O-CB 3.17Å; Q242-L245 PolarHBondContact O-N 2.93Å; Q242-L245 VanDerWaalsContact O-N 3.11Å
243F90.1Very high89.5Confident10 Ų1055.2 Ų55.24%0.04429%0.285CS..Hα-helixtrans-61.7-33.4177.1-64.8-24.7000113.6W143 I187 F190 V221 L226 I239 I240 R241 L245W143-F243 HydrophobicContact CB-CE2 4.3Å; W143-F243 AromaticContact CE3-CE2 3.94Å; W143-F243 HydrophobicContact CE3-CE2 3.94Å; I187-F243 HydrophobicContact CD1-CE2 4.3Å; I187-F243 HydrophobicContact CD1-CZ 3.93Å; F190-F243 HydrophobicContact CE1-CE2 4.37Å; F190-F243 HydrophobicContact CE1-CZ 4.32Å; V221-F243 HydrophobicContact CG2-CE1 4.46Å; V221-F243 HydrophobicContact CG2-CZ 4.28Å; L226-F243 HydrophobicContact CD1-CD1 4.02Å; L226-F243 HydrophobicContact CD1-CE1 3.73Å; I239-F243 HydrophobicContact CG2-CD2 4.02Å; I239-F243 HydrophobicContact CG2-CE1 4.29Å; I239-F243 HydrophobicContact CG2-CE2 3.5Å; I239-F243 VanDerWaalsContact CG2-CE2 3.5Å; I239-F243 HydrophobicContact CG2-CZ 3.66Å; I239-F243 PolarHBondContact O-N 3.46Å; I240-F243 PolarHBondContact O-N 2.93Å; R241-F243 PolarHBondContact O-N 2.91Å; F243-L245 PolarHBondContact O-N 3.09Å
244K87.1Confident89.6Confident117 Ų11748.9 Ų48.951%0.50925%0.252SS..Hα-helixtrans-67.2-25.7177.3-78.3178.8177.7-175.70112.6I240 R241 Q242 V246I240-K244 HydrophobicContact CG2-CD 4.12Å; I240-K244 HydrophobicContact CG2-CG 4.4Å; I240-K244 WeakPolarHBondContact O-CG 3.32Å; I240-K244 PolarHBondContact O-N 3.43Å; R241-K244 PolarHBondContact O-N 2.98Å; Q242-K244 VanDerWaalsContact C-N 3.28Å; Q242-K244 PolarHBondContact O-N 2.96Å; K244-V246 VanDerWaalsContact C-N 3.32Å; K244-V246 PolarHBondContact O-N 3.25Å
245L88.5Confident89.7Confident79 Ų7950.2 Ų50.241%0.41425%0.253SS..THydrogen-bonded Turntrans-74.7-18.4-176.5-62163.8000114.4R241 Q242 F243 P247 L273R241-L245 WeakPolarHBondContact O-CG 3.35Å; R241-L245 PolarHBondContact O-N 3.32Å; Q242-L245 WeakPolarHBondContact O-CB 3.17Å; Q242-L245 PolarHBondContact O-N 2.93Å; Q242-L245 VanDerWaalsContact O-N 3.11Å; F243-L245 PolarHBondContact O-N 3.09Å; L245-P247 VanDerWaalsContact O-CD 3.25Å; L245-P247 WeakPolarHBondContact O-CD 3.33Å; L245-L273 HydrophobicContact CB-CD1 3.22Å; L245-L273 HydrophobicContact CD1-CD1 3.41Å; L245-L273 VanDerWaalsContact CD1-CD1 3.41Å; L245-L273 HydrophobicContact CD1-CD2 3.92Å; L245-L273 HydrophobicContact CD1-CG 4.32Å; L245-L273 HydrophobicContact CD2-CD1 3.87Å; L245-L273 HydrophobicContact CG-CD1 3.63Å
246V89.2Confident89.6Confident16 Ų1652.9 Ų52.910%0.09725%0.254CS..SBendtrans-60120.1172.7178.50000108.2K19 I219 K244 T250K19-V246 HydrophobicContact CD-CB 4.33Å; K19-V246 HydrophobicContact CD-CG1 4.06Å; K19-V246 WeakPolarHBondContact CD-O 3.41Å; K19-V246 PolarHBondContact NZ-O 2.77Å; I219-V246 HydrophobicContact CB-CG1 4.28Å; I219-V246 HydrophobicContact CD1-CG1 3.9Å; I219-V246 HydrophobicContact CG2-CG1 4.22Å; K244-V246 VanDerWaalsContact C-N 3.32Å; K244-V246 PolarHBondContact O-N 3.25Å; V246-T250 HydrophobicContact CG1-CG2 4.15Å
247P91.8Very high89.6Confident32 Ų3254.9 Ų54.921%0.20826%0.26CS..PPolyproline II helixtrans-63.9147-176.7-24.835000112.7K19 L245 T250K19-P247 WeakPolarHBondContact CD-O 3.45Å; L245-P247 VanDerWaalsContact O-CD 3.25Å; L245-P247 WeakPolarHBondContact O-CD 3.33Å; P247-T250 WeakPolarHBondContact CD-OG1 2.94Å; P247-T250 VanDerWaalsContact O-CB 3.27Å; P247-T250 WeakPolarHBondContact O-CB 3.38Å; P247-T250 PolarHBondContact O-N 3.09Å; P247-T250 PolarHBondContact O-OG1 3.37Å
248P92.4Very high89.3Confident41 Ų4160.4 Ų60.427%0.26628%0.278SS..THydrogen-bonded Turntrans-49.4145.6170.6-19.329.3000111.6E22 T250E22-P248 HydrophobicContact CG-CB 3.61Å; E22-P248 HydrophobicContact CG-CG 3.17Å; P248-T250 PolarHBondContact O-N 3.07Å; P248-T250 VanDerWaalsContact O-N 3.1Å
249L93.3Very high88.9Confident17 Ų1760.4 Ų60.49%0.08929%0.29CS..THydrogen-bonded Turntrans6111.6-178.1-59.1168.8000115.2L18 K19 A21 K86 I90 T119 L268L18-L249 WeakPolarHBondContact CD1-O 3.4Å; L18-L249 HydrophobicContact CD2-CD2 4.42Å; K19-L249 VanDerWaalsContact O-CA 3.24Å; K19-L249 WeakPolarHBondContact O-CA 3.41Å; K19-L249 PolarHBondContact O-N 3.06Å; K19-L249 VanDerWaalsContact O-N 3.07Å; A21-L249 HydrophobicContact CB-CD1 4.12Å; A21-L249 HydrophobicContact CB-CD2 3.87Å; A21-L249 HydrophobicContact CB-CG 3.96Å; K86-L249 HydrophobicContact CB-CD1 3.93Å; I90-L249 HydrophobicContact CD1-CB 4.04Å; I90-L249 HydrophobicContact CD1-CD1 3.73Å; I90-L249 HydrophobicContact CD1-CD2 3.67Å; I90-L249 HydrophobicContact CD1-CG 4Å; T119-L249 HydrophobicContact CG2-CD2 4.07Å; L249-L268 HydrophobicContact CB-CD1 4.36Å; L249-L268 WeakPolarHBondContact O-CD1 3.49Å
250T92.5Very high88.7Confident5 Ų561.7 Ų61.73%0.03130%0.304CS..  trans-64.8141.4168.2-600000110.1K19 I219 V246 P247 P248 L265K19-T250 PolarHBondContact N-O 3.48Å; I219-T250 HydrophobicContact CD1-CG2 4.12Å; I219-T250 WeakPolarHBondContact CD1-O 3.35Å; V246-T250 HydrophobicContact CG1-CG2 4.15Å; P247-T250 WeakPolarHBondContact CD-OG1 2.94Å; P247-T250 VanDerWaalsContact O-CB 3.27Å; P247-T250 WeakPolarHBondContact O-CB 3.38Å; P247-T250 PolarHBondContact O-N 3.09Å; P247-T250 PolarHBondContact O-OG1 3.37Å; P248-T250 PolarHBondContact O-N 3.07Å; P248-T250 VanDerWaalsContact O-N 3.1Å; T250-L265 HydrophobicContact CG2-CD1 4.41Å
251S92.3Very high88.6Confident18 Ų1863.7 Ų63.713%0.12631%0.309CS..EExtended strand (participates in β ladder)trans-121.6141.617758.90000113.1V17 Y266V17-S251 CarbonylContact O-C 3.57Å; V17-S251 VanDerWaalsContact O-CA 3.24Å; V17-S251 WeakPolarHBondContact O-CA 3.35Å; S251-Y266 PolarHBondContact O-N 3.41Å; S251-Y266 PolarHBondContact OG-O 3.15Å
252L92.1Very high88.4Confident0 Ų057.5 Ų57.50%029%0.289CS..EExtended strand (participates in β ladder)trans-113.7134.8167.216574.7000108.2V16 V17 I219 L222 Y225 L254V16-L252 CarbonylContact C-O 3.56Å; V16-L252 WeakPolarHBondContact CA-O 3.25Å; V17-L252 HydrophobicContact CB-CB 4.32Å; V17-L252 HydrophobicContact CG2-CD2 4.46Å; V17-L252 PolarHBondContact N-O 2.73Å; V17-L252 PolarHBondContact O-N 3.42Å; I219-L252 HydrophobicContact CG2-CB 4.26Å; L222-L252 HydrophobicContact CB-CD2 3.72Å; Y225-L252 HydrophobicContact CE2-CD1 4.46Å; Y225-L252 WeakPolarHBondContact OH-CD1 3.33Å; L252-L254 HydrophobicContact CD1-CD2 4.5Å; L252-L254 HydrophobicContact CD2-CD2 4.06Å; L252-L254 HydrophobicContact CG-CD2 4.24Å
253T91.3Very high88Confident10 Ų1057.8 Ų57.86%0.06130%0.296CS..EExtended strand (participates in β ladder)trans-110.6123.2172.6-58.70000109.4E14 I15 V16 Q264 Y266E14-T253 HydrophobicContact CB-CG2 4.36Å; I15-T253 CarbonylContact O-C 3.59Å; I15-T253 WeakPolarHBondContact O-CA 3.49Å; V16-T253 HydrophobicContact CG2-CG2 4.44Å; T253-Q264 PolarHBondContact N-O 3.21Å; T253-Q264 PolarHBondContact O-N 2.98Å; T253-Y266 WeakPolarHBondContact OG1-CD2 3.47Å
254L91Very high87.2Confident13 Ų1360.6 Ų60.67%0.06831%0.309CS..EExtended strand (participates in β ladder)trans-91.8120.9163-46.8176.7000106.7E14 I15 T198 L252 W261 I262 T263E14-L254 CarbonylContact C-O 3.59Å; E14-L254 VanDerWaalsContact CA-O 3.27Å; E14-L254 WeakPolarHBondContact CA-O 3.4Å; I15-L254 HydrophobicContact CB-CB 4.13Å; I15-L254 HydrophobicContact CB-CD1 4.28Å; I15-L254 HydrophobicContact CB-CG 4.4Å; I15-L254 HydrophobicContact CD1-CD1 4.45Å; I15-L254 HydrophobicContact CG2-CD1 4.44Å; I15-L254 PolarHBondContact N-O 2.81Å; I15-L254 PolarHBondContact O-N 2.73Å; T198-L254 HydrophobicContact CG2-CD1 4.22Å; L252-L254 HydrophobicContact CD1-CD2 4.5Å; L252-L254 HydrophobicContact CD2-CD2 4.06Å; L252-L254 HydrophobicContact CG-CD2 4.24Å; L254-W261 HydrophobicContact CB-CE3 3.9Å; L254-W261 HydrophobicContact CB-CZ3 4.42Å; L254-W261 WeakPolarHBondContact O-CZ3 3.42Å; L254-I262 CarbonylContact C-O 3.56Å; L254-I262 VanDerWaalsContact CA-O 3.3Å; L254-I262 WeakPolarHBondContact CA-O 3.45Å; L254-T263 HydrophobicContact CD2-CG2 3.32Å
255R89.4Confident86.2Confident81 Ų8157.1 Ų57.131%0.30630%0.296SS..EExtended strand (participates in β ladder)trans-113.6136.3178.8178.8176.9-72.1159.4-0.2109.8E14 W261 I262E14-R255 HydrophobicContact CG-CG 4.36Å; E14-R255 IonicContact OE1-CZ 2.73Å; E14-R255 VanDerWaalsContact OE1-CZ 3.27Å; E14-R255 IonicContact OE1-NE 3.91Å; E14-R255 PolarHBondContact OE1-NE 3.27Å; E14-R255 IonicContact OE1-NH2 3.61Å; E14-R255 PolarHBondContact OE1-NH2 3.15Å; R255-W261 VanDerWaalsContact C-CE3 3.5Å; R255-W261 CarbonylContact O-C 3.38Å; R255-W261 WeakPolarHBondContact O-CA 3.35Å; R255-I262 HydrophobicContact CB-CD1 4.49Å; R255-I262 HydrophobicContact CB-CG1 4.05Å; R255-I262 PolarHBondContact N-O 3.31Å; R255-I262 WeakPolarHBondContact O-CG1 3.46Å; R255-I262 PolarHBondContact O-N 3.08Å
256R87.3Confident84.8Confident120 Ų12057.6 Ų57.645%0.45329%0.293SS..EExtended strand (participates in β ladder)trans-79.8121.5174.2-169.1175.2175.1-162.4-6.1109.6E11 T13 W261E11-R256 IonicContact OE2-CZ 2.89Å; E11-R256 IonicContact OE2-NH1 3.26Å; E11-R256 PolarHBondContact OE2-NH1 2.78Å; E11-R256 IonicContact OE2-NH2 3.4Å; T13-R256 PolarHBondContact O-N 2.99Å; R256-W261 HydrophobicContact CB-CD2 4.08Å; R256-W261 HydrophobicContact CB-CE3 4.06Å; R256-W261 HydrophobicContact CB-CH2 3.79Å; R256-W261 HydrophobicContact CB-CZ2 3.8Å; R256-W261 HydrophobicContact CB-CZ3 3.93Å; R256-W261 HydrophobicContact CG-CZ2 4.12Å
257E85.9Confident83.1Confident95 Ų9560.6 Ų60.644%0.44431%0.312SS..EExtended strand (participates in β ladder)trans-113.1176168.6-70.5-170.6171.700110.3T259 G260 I262E257-T259 PolarHBondContact O-N 2.87Å; E257-G260 PolarHBondContact N-O 3.09Å; E257-G260 PolarHBondContact O-N 3.14Å; E257-I262 VanDerWaalsContact CD-CD1 3.47Å; E257-I262 HydrophobicContact CG-CD1 4.07Å; E257-I262 HydrophobicContact CG-CG1 3.95Å; E257-I262 HydrophobicContact CG-CG2 4.31Å; E257-I262 WeakPolarHBondContact OE1-CD1 3.49Å
258M81.5Confident81.1Confident199 Ų19963.6 Ų63.698%0.9833%0.326SS*.THydrogen-bonded Turntrans-58.7-32.3179.5-62.9-175.6-63.600112.8
259T81.2Confident78.5Confident131 Ų13170.6 Ų70.680%0.80435%0.353SS*.THydrogen-bonded Turntrans-89.8-6.8-176.753.10000113.6E257E257-T259 PolarHBondContact O-N 2.87Å
260G84Confident75.6Confident31 Ų3175.1 Ų75.132%0.3239%0.385SS..EExtended strand (participates in β ladder)trans134.4-163.2-175.600000112.6E257E257-G260 PolarHBondContact N-O 3.09Å; E257-G260 PolarHBondContact O-N 3.14Å
261W85.1Confident72.8Confident73 Ų7376 Ų7628%0.27739%0.391SS..EExtended strand (participates in β ladder)trans-86.8126.6178.1-69.285.8000110.8L12 I15 Q202 L254 R255 R256L12-W261 HydrophobicContact CD2-CH2 4.32Å; L12-W261 HydrophobicContact CG-CH2 4.02Å; I15-W261 HydrophobicContact CD1-CH2 4.39Å; I15-W261 HydrophobicContact CD1-CZ3 4.34Å; I15-W261 HydrophobicContact CG1-CH2 4.23Å; I15-W261 HydrophobicContact CG1-CZ3 4.06Å; Q202-W261 VanDerWaalsContact CD-CE2 3.44Å; Q202-W261 HydrophobicContact CG-CH2 4.36Å; Q202-W261 HydrophobicContact CG-CZ2 3.54Å; L254-W261 HydrophobicContact CB-CE3 3.9Å; L254-W261 HydrophobicContact CB-CZ3 4.42Å; L254-W261 WeakPolarHBondContact O-CZ3 3.42Å; R255-W261 VanDerWaalsContact C-CE3 3.5Å; R255-W261 CarbonylContact O-C 3.38Å; R255-W261 WeakPolarHBondContact O-CA 3.35Å; R256-W261 HydrophobicContact CB-CD2 4.08Å; R256-W261 HydrophobicContact CB-CE3 4.06Å; R256-W261 HydrophobicContact CB-CH2 3.79Å; R256-W261 HydrophobicContact CB-CZ2 3.8Å; R256-W261 HydrophobicContact CB-CZ3 3.93Å; R256-W261 HydrophobicContact CG-CZ2 4.12Å
262I83.6Confident70Confident52 Ų5280 Ų8027%0.26742%0.417SS..EExtended strand (participates in β ladder)trans-103150.2171.962.6151.8000110.5L254 R255 E257L254-I262 CarbonylContact C-O 3.56Å; L254-I262 VanDerWaalsContact CA-O 3.3Å; L254-I262 WeakPolarHBondContact CA-O 3.45Å; R255-I262 HydrophobicContact CB-CD1 4.49Å; R255-I262 HydrophobicContact CB-CG1 4.05Å; R255-I262 PolarHBondContact N-O 3.31Å; R255-I262 WeakPolarHBondContact O-CG1 3.46Å; R255-I262 PolarHBondContact O-N 3.08Å; E257-I262 VanDerWaalsContact CD-CD1 3.47Å; E257-I262 HydrophobicContact CG-CD1 4.07Å; E257-I262 HydrophobicContact CG-CG1 3.95Å; E257-I262 HydrophobicContact CG-CG2 4.31Å; E257-I262 WeakPolarHBondContact OE1-CD1 3.49Å
263T79.1Confident67.4Low74 Ų7483.5 Ų83.545%0.45444%0.435SS..EExtended strand (participates in β ladder)trans-100.1126.2175.954.40000109.5L254L254-T263 HydrophobicContact CD2-CG2 3.32Å
264Q72.7Confident64.7Low68 Ų6884.9 Ų84.932%0.31844%0.441SS..EExtended strand (participates in β ladder)trans-123.6119.9172-168.3173.98.200109.5T253 Y266T253-Q264 PolarHBondContact N-O 3.21Å; T253-Q264 PolarHBondContact O-N 2.98Å; Q264-Y266 HydrophobicContact CB-CE2 3.97Å; Q264-Y266 VanDerWaalsContact CD-CE2 3.47Å; Q264-Y266 HydrophobicContact CG-CD2 4.2Å; Q264-Y266 HydrophobicContact CG-CE2 3.59Å; Q264-Y266 VanDerWaalsContact NE2-CZ 3.31Å; Q264-Y266 PolarHBondContact NE2-OH 3.09Å; Q264-Y266 PolarHBondContact OE1-OH 3.21Å
265L66.5Low62.1Low44 Ų4491.8 Ų91.823%0.2348%0.475CS..EExtended strand (participates in β ladder)trans-83.7127.8174.4-169.362.5000110.1Y225 T250 L274Y225-L265 HydrophobicContact CE2-CD1 4.07Å; Y225-L265 VanDerWaalsContact OH-CB 3.25Å; Y225-L265 WeakPolarHBondContact OH-CB 3.5Å; Y225-L265 WeakPolarHBondContact OH-CD1 3.35Å; T250-L265 HydrophobicContact CG2-CD1 4.41Å; L265-L274 HydrophobicContact CD1-CD1 4.42Å; L265-L274 HydrophobicContact CD2-CB 4.04Å; L265-L274 HydrophobicContact CD2-CD1 3.24Å; L265-L274 HydrophobicContact CD2-CD2 3.61Å; L265-L274 HydrophobicContact CD2-CG 3.75Å; L265-L274 HydrophobicContact CG-CD1 4.41Å
266Y58.7Low59.7Low89 Ų8995.5 Ų95.535%0.34950%0.496SS..EExtended strand (participates in β ladder)trans-113.2103.3167-68.9-86.4000108S251 T253 Q264 L268S251-Y266 PolarHBondContact O-N 3.41Å; S251-Y266 PolarHBondContact OG-O 3.15Å; T253-Y266 WeakPolarHBondContact OG1-CD2 3.47Å; Q264-Y266 HydrophobicContact CB-CE2 3.97Å; Q264-Y266 VanDerWaalsContact CD-CE2 3.47Å; Q264-Y266 HydrophobicContact CG-CD2 4.2Å; Q264-Y266 HydrophobicContact CG-CE2 3.59Å; Q264-Y266 VanDerWaalsContact NE2-CZ 3.31Å; Q264-Y266 PolarHBondContact NE2-OH 3.09Å; Q264-Y266 PolarHBondContact OE1-OH 3.21Å; Y266-L268 PolarHBondContact O-N 3.15Å
267P54.4Low57.4Low79 Ų7994 Ų9451%0.51350%0.5SS..  trans-68.3119.4167.827-29.1000108.1K269P267-K269 PolarHBondContact O-N 2.91Å
268L48.8Very low55Low95 Ų9595.5 Ų95.550%0.49752%0.516SS..SBendtrans-64.784.7145.1-88.4161000105.7I90 L249 Y266I90-L268 HydrophobicContact CD1-CD1 4.02Å; L249-L268 HydrophobicContact CB-CD1 4.36Å; L249-L268 WeakPolarHBondContact O-CD1 3.49Å; Y266-L268 PolarHBondContact O-N 3.15Å
269K37Very low52.7Low188 Ų18889.3 Ų89.382%0.81750%0.503SS*.SBendtrans17.9119.5178.9-69.3179.8176.61790117.2P267P267-K269 PolarHBondContact O-N 2.91Å
270C33.7Very low50.2Low113 Ų11387.9 Ų87.976%0.76450%0.499SS*.  trans88.788.9164-53.40000117.5
271S34.3Very low47.6Very low23 Ų2395.2 Ų95.216%0.16153%0.525CS..  trans-136.3118.1153.2-170.40000111.1L273S271-L273 PolarHBondContact O-N 2.69Å; S271-L273 VanDerWaalsContact O-N 3.14Å
272P32.9Very low45.2Very low103 Ų103103.2 Ų103.267%0.66956%0.555SS**THydrogen-bonded Turntrans-65.5-6.8176.6-22.233.1000115.7
273L36.3Very low42.6Very low72 Ų72105.8 Ų105.838%0.37758%0.577SS.*THydrogen-bonded Turntrans-94.8-13.7-171.4-77.8149.1000115L245 S271 M275L245-L273 HydrophobicContact CB-CD1 3.22Å; L245-L273 HydrophobicContact CD1-CD1 3.41Å; L245-L273 VanDerWaalsContact CD1-CD1 3.41Å; L245-L273 HydrophobicContact CD1-CD2 3.92Å; L245-L273 HydrophobicContact CD1-CG 4.32Å; L245-L273 HydrophobicContact CD2-CD1 3.87Å; L245-L273 HydrophobicContact CG-CD1 3.63Å; S271-L273 PolarHBondContact O-N 2.69Å; S271-L273 VanDerWaalsContact O-N 3.14Å; L273-M275 VanDerWaalsContact C-N 3.33Å
274L35.9Very low40.1Very low39 Ų39106.8 Ų106.820%0.20459%0.593CS.*SBendtrans-89.8-5.8172.3-74147.1000112.1Y225 L265Y225-L274 HydrophobicContact CD1-CD2 3.44Å; Y225-L274 VanDerWaalsContact CD1-CD2 3.44Å; Y225-L274 HydrophobicContact CD2-CD2 3.95Å; Y225-L274 HydrophobicContact CE1-CD2 3.6Å; Y225-L274 HydrophobicContact CE2-CD2 4.07Å; Y225-L274 HydrophobicContact CG-CD2 3.67Å; L265-L274 HydrophobicContact CD1-CD1 4.42Å; L265-L274 HydrophobicContact CD2-CB 4.04Å; L265-L274 HydrophobicContact CD2-CD1 3.24Å; L265-L274 HydrophobicContact CD2-CD2 3.61Å; L265-L274 HydrophobicContact CD2-CG 3.75Å; L265-L274 HydrophobicContact CG-CD1 4.41Å
275M36.3Very low38.2Very low158 Ų158115.1 Ų115.178%0.77864%0.637SS**SBendtrans-85.2-9.2173.2-75.4-179.4143.500113.5L273L273-M275 VanDerWaalsContact C-N 3.33Å
276Q39.5Very low36.8Very low159 Ų159118.7 Ų118.774%0.74366%0.658SS**SBendtrans-98.8-10.9-176.4-69.9-172.6-11.700114.7
277T37.3Very low35.7Very low88 Ų88120.3 Ų120.354%0.5467%0.674SS.*SBendtrans-110.70.3-176.452.90000114.8
278T36.6Very low34.6Very low127 Ų127122.6 Ų122.678%0.77968%0.683SS**SBendtrans-112.221.1173.559.10000113.1
279G32Very low33.8Very low69 Ų69124.2 Ų124.271%0.71169%0.694SS**  trans-111.85.4-168.200000117.5
280S29.6Very low33.6Very low101 Ų101120.2 Ų120.271%0.70669%0.686SS**SBendtrans-119.483.3176.468.10000110.9
281H30Very low33.6Very low186 Ų186120.7 Ų120.786%0.86168%0.681SS**  trans166.993.5146.6-90-62000109.2
282R33.1Very low33.6Very low240 Ų240127.6 Ų127.691%0.90672%0.718SS**  trans170.184.7154.4-94.3163.4-166.1-134.85.6106.1
283S28.9Very low33.6Very low106 Ų106129.5 Ų129.574%0.74172%0.722SS**  76.2110.695.763.60000113.4
284A26.7Very low33.4Very low95 Ų95134.3 Ų134.379%0.78575%0.751SS**  trans49.5100.1146.200000118.3
285I34.6Very low33.1Very low244 Ų244143 Ų143100%1.25180%0.8SS**  -175.80102.6-82.8157.8000106.3

Retrieved 285 of 285 residues in 263.2 ms (Link to these results)

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