A0A5K4FA65_SCHMA Loading...

DDHD domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FA65, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,310 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
1M85Confident95Very high94 Ų9415.8 Ų15.846%0.4638%0.076SC..  0121.30-168.9177.683.300108.7R224 V225 E226 E237M1-R224 HydrophobicContact CE-CG 4.16Å; M1-R224 HydrophobicContact CG-CB 4.39Å; M1-R224 HydrophobicContact SD-CB 3.83Å; M1-R224 HydrophobicContact SD-CG 3.87Å; M1-V225 CarbonylContact C-O 3.58Å; M1-V225 WeakPolarHBondContact CA-O 3.3Å; M1-E226 HydrophobicContact CB-CB 4.07Å; M1-E226 HydrophobicContact CG-CB 4.21Å; M1-E237 VanDerWaalsContact CA-OE1 3.24Å; M1-E237 WeakPolarHBondContact CA-OE1 3.33Å; M1-E237 PolarHBondContact N-OE1 3.11Å
2L90.7Very high94.9Very high37 Ų3714.5 Ų14.519%0.1947%0.07CC..EExtended strand (participates in β ladder)trans-98.4144.9165.2-173.752.1000108.3I137 V225 E237 Q238 H241L2-I137 HydrophobicContact CD1-CD1 4.24Å; L2-V225 PolarHBondContact N-O 2.82Å; L2-V225 PolarHBondContact O-N 3.33Å; L2-E237 HydrophobicContact CB-CB 3.96Å; L2-E237 HydrophobicContact CD2-CB 4.36Å; L2-Q238 HydrophobicContact CD2-CG 4.13Å; L2-H241 PolarHBondContact O-NE2 3.15Å
3L94.4Very high94.6Very high3 Ų313.7 Ų13.72%0.0167%0.067CC..EExtended strand (participates in β ladder)trans-128.4110.8-174.7-175.264.5000109.4E132 R136 I137 L222 R224L3-E132 HydrophobicContact CD2-CB 3.91Å; L3-E132 HydrophobicContact CD2-CG 4.24Å; L3-E132 VanDerWaalsContact CD2-O 3.3Å; L3-E132 WeakPolarHBondContact CD2-O 3.19Å; L3-R136 HydrophobicContact CD2-CB 3.87Å; L3-R136 HydrophobicContact CG-CB 4.19Å; L3-I137 PolarHBondContact O-N 3.45Å; L3-L222 HydrophobicContact CD1-CD1 3.63Å; L3-L222 HydrophobicContact CD1-CD2 4.29Å; L3-L222 HydrophobicContact CD1-CG 3.87Å; L3-L222 HydrophobicContact CG-CD1 4.08Å; L3-R224 HydrophobicContact CD1-CG 3.52Å
4K96.6Very high94.4Very high26 Ų2613.9 Ų13.911%0.1137%0.069CC..EExtended strand (participates in β ladder)trans-121.9136.9171.8-61.1-164.5177.2-175.20111Y6 I137 C223 H241 D242K4-Y6 HydrophobicContact CB-CE2 3.98Å; K4-Y6 HydrophobicContact CD-CE1 4.26Å; K4-I137 CarbonylContact C-O 3.52Å; K4-I137 VanDerWaalsContact CA-O 3.26Å; K4-I137 WeakPolarHBondContact CA-O 3.46Å; K4-I137 HydrophobicContact CG-CB 4.27Å; K4-C223 PolarHBondContact N-O 3.1Å; K4-C223 VanDerWaalsContact N-O 3.12Å; K4-C223 PolarHBondContact O-N 3.15Å; K4-H241 HydrophobicContact CD-CB 4.07Å; K4-H241 WeakPolarHBondContact CG-ND1 3.42Å; K4-D242 IonicContact NZ-OD1 3.19Å; K4-D242 PolarHBondContact NZ-OD1 2.97Å
5E97.2Very high94.1Very high0 Ų015.7 Ų15.70%09%0.087CC..EExtended strand (participates in β ladder)trans-103.6105.3168.4-174.4-175.310400108.3R7 F126 R136 I137 I138 D139 K221 L222E5-R7 IonicContact OE1-CZ 3.54Å; E5-R7 IonicContact OE1-NE 2.72Å; E5-R7 PolarHBondContact OE1-NE 2.76Å; E5-R7 IonicContact OE1-NH2 3.6Å; E5-R7 PolarHBondContact OE1-NH2 3.19Å; E5-F126 HydrophobicContact CG-CE2 4.15Å; E5-R136 HydrophobicContact CB-CG 3.95Å; E5-R136 IonicContact OE1-NH1 3.22Å; E5-R136 PolarHBondContact OE1-NH1 2.85Å; E5-R136 WeakPolarHBondContact OE2-CD 3.34Å; E5-R136 IonicContact OE2-CZ 3.4Å; E5-R136 IonicContact OE2-NE 3.39Å; E5-R136 IonicContact OE2-NH1 2.85Å; E5-R136 PolarHBondContact OE2-NH1 3.47Å; E5-I137 PolarHBondContact N-O 3.34Å; E5-I138 HydrophobicContact CB-CG1 4.42Å; E5-I138 WeakPolarHBondContact O-CA 3.4Å; E5-D139 PolarHBondContact O-N 3.39Å; E5-K221 WeakPolarHBondContact CA-O 3.43Å; E5-L222 HydrophobicContact CB-CD1 3.89Å; E5-L222 HydrophobicContact CG-CD1 4.43Å
6Y97.6Very high94Very high0 Ų015.5 Ų15.50%09%0.085CC..EExtended strand (participates in β ladder)trans-82.8123.6173.6-57-85000109.3K4 D139 I141 K221 C223 H241 L245 R246 M249K4-Y6 HydrophobicContact CB-CE2 3.98Å; K4-Y6 HydrophobicContact CD-CE1 4.26Å; Y6-D139 CarbonylContact C-O 3.47Å; Y6-D139 VanDerWaalsContact CA-O 3.24Å; Y6-D139 WeakPolarHBondContact CA-O 3.39Å; Y6-D139 HydrophobicContact CD1-CB 3.85Å; Y6-D139 HydrophobicContact CE1-CB 4.17Å; Y6-D139 WeakPolarHBondContact CE1-OD2 3.48Å; Y6-I141 HydrophobicContact CD1-CD1 3.82Å; Y6-I141 HydrophobicContact CD1-CG1 4.16Å; Y6-I141 HydrophobicContact CG-CD1 4.27Å; Y6-K221 PolarHBondContact N-O 2.8Å; Y6-K221 PolarHBondContact O-N 3.14Å; Y6-C223 HydrophobicContact CD2-CB 4.39Å; Y6-C223 HydrophobicContact CE2-CB 4.01Å; Y6-H241 AromaticContact CE2-ND1 3.82Å; Y6-H241 AromaticContact CZ-ND1 3.75Å; Y6-H241 VanDerWaalsContact OH-C 3.32Å; Y6-H241 WeakPolarHBondContact OH-CA 3.41Å; Y6-H241 WeakPolarHBondContact OH-CB 3.44Å; Y6-H241 PolarHBondContact OH-ND1 3.44Å; Y6-H241 PolarHBondContact OH-O 3.26Å; Y6-L245 HydrophobicContact CE2-CB 4.29Å; Y6-L245 HydrophobicContact CE2-CD1 4.23Å; Y6-R246 HydrophobicContact CD1-CG 4.32Å; Y6-R246 HydrophobicContact CE1-CB 3.87Å; Y6-R246 HydrophobicContact CE1-CG 3.86Å; Y6-M249 HydrophobicContact CD2-CE 4.25Å; Y6-M249 HydrophobicContact CD2-SD 3.96Å; Y6-M249 HydrophobicContact CE2-SD 4.49Å; Y6-M249 HydrophobicContact CG-SD 4.06Å
7R97.7Very high94Very high13 Ų1314.8 Ų14.85%0.0498%0.081CC..EExtended strand (participates in β ladder)trans-102.5109.7172.7-66.7-175.8-174.6-163.61.5108.2E5 G120 Q122 D123 I138 D139 F140 I141 Y220E5-R7 IonicContact OE1-CZ 3.54Å; E5-R7 IonicContact OE1-NE 2.72Å; E5-R7 PolarHBondContact OE1-NE 2.76Å; E5-R7 IonicContact OE1-NH2 3.6Å; E5-R7 PolarHBondContact OE1-NH2 3.19Å; R7-G120 WeakPolarHBondContact CD-O 3.32Å; R7-G120 PolarHBondContact NH1-O 3.08Å; R7-Q122 PolarHBondContact NH1-O 3.39Å; R7-Q122 PolarHBondContact NH2-O 3.38Å; R7-D123 IonicContact NH2-OD1 3.9Å; R7-D123 PolarHBondContact NH2-OD1 3.48Å; R7-D123 VanDerWaalsContact NH2-OD1 3.08Å; R7-I138 HydrophobicContact CG-CG2 4.19Å; R7-D139 PolarHBondContact N-O 2.86Å; R7-F140 HydrophobicContact CB-CD1 3.59Å; R7-F140 HydrophobicContact CB-CE1 3.57Å; R7-F140 HydrophobicContact CB-CG 4.2Å; R7-F140 HydrophobicContact CB-CZ 4.17Å; R7-F140 HydrophobicContact CG-CE1 4.29Å; R7-F140 HydrophobicContact CG-CZ 4.44Å; R7-F140 WeakPolarHBondContact O-CA 3.34Å; R7-I141 PolarHBondContact O-N 2.86Å; R7-Y220 HydrophobicContact CG-CD1 3.98Å; R7-Y220 HydrophobicContact CG-CE1 4.12Å
8I97.4Very high94Very high0 Ų020.2 Ų20.20%010%0.1CC..EExtended strand (participates in β ladder)trans-114.3100.4-175.2-38.7178.7000108.2I141 A219 K221 M249 H253I8-I141 HydrophobicContact CD1-CD1 4.01Å; I8-I141 HydrophobicContact CG1-CB 4.17Å; I8-I141 HydrophobicContact CG1-CD1 4.12Å; I8-I141 HydrophobicContact CG1-CG1 4.38Å; I8-I141 HydrophobicContact CG2-CB 4.22Å; I8-I141 HydrophobicContact CG2-CG2 4.43Å; I8-A219 HydrophobicContact CB-CB 4.36Å; I8-A219 PolarHBondContact N-O 3.27Å; I8-A219 PolarHBondContact O-N 2.82Å; I8-K221 HydrophobicContact CD1-CD 3.97Å; I8-M249 HydrophobicContact CD1-CB 3.91Å; I8-M249 HydrophobicContact CD1-CG 4.18Å; I8-M249 HydrophobicContact CD1-SD 3.91Å; I8-H253 VanDerWaalsContact CD1-CE1 3.45Å; I8-H253 WeakPolarHBondContact CD1-CE1 3.35Å; I8-H253 HydrophobicContact CG2-CB 4.2Å
9C97Very high93.9Very high1 Ų120.5 Ų20.51%0.00710%0.102CC..EExtended strand (participates in β ladder)trans-77.7141.3176.3-56.90000109.8A119 W176 R177 I216 M217C9-A119 VanDerWaalsContact SG-C 3.58Å; C9-A119 PolarHBondContact SG-O 3.38Å; C9-W176 HydrophobicContact CB-CH2 3.82Å; C9-W176 HydrophobicContact CB-CZ2 4.41Å; C9-W176 WeakPolarHBondContact O-CH2 3.37Å; C9-R177 VanDerWaalsContact SG-CZ 3.54Å; C9-R177 PolarHBondContact SG-NE 3.44Å; C9-R177 PolarHBondContact SG-NH2 3.27Å; C9-I216 HydrophobicContact CB-CD1 4.08Å; C9-I216 HydrophobicContact CB-CG1 4.37Å; C9-M217 CarbonylContact C-O 3.51Å; C9-M217 WeakPolarHBondContact CA-O 3.34Å
10M96.9Very high93.9Very high0 Ų019.5 Ų19.50%010%0.097CC..EExtended strand (participates in β ladder)trans-130.9139.6175.1-67.7-64.8-62.900110.9L12 Y17 I143 I216 M217 H253 V256 W257M10-L12 HydrophobicContact CB-CB 4.38Å; M10-L12 HydrophobicContact CB-CG 4.47Å; M10-L12 HydrophobicContact CE-CD1 4.09Å; M10-L12 PolarHBondContact O-N 3.5Å; M10-Y17 HydrophobicContact CB-CD2 4.5Å; M10-Y17 HydrophobicContact CG-CD2 4.05Å; M10-Y17 HydrophobicContact CG-CE2 3.96Å; M10-I143 HydrophobicContact CE-CD1 4.41Å; M10-I143 HydrophobicContact SD-CD1 4.15Å; M10-I143 HydrophobicContact SD-CG2 4.1Å; M10-I216 VanDerWaalsContact O-CA 3.31Å; M10-I216 WeakPolarHBondContact O-CA 3.46Å; M10-M217 HydrophobicContact CB-CG 4.09Å; M10-M217 HydrophobicContact CB-SD 3.76Å; M10-M217 HydrophobicContact CG-SD 4.12Å; M10-M217 PolarHBondContact N-O 2.88Å; M10-M217 PolarHBondContact O-N 2.99Å; M10-H253 WeakPolarHBondContact CE-O 3.42Å; M10-H253 HydrophobicContact SD-CB 3.71Å; M10-V256 HydrophobicContact CE-CB 4.38Å; M10-V256 HydrophobicContact CE-CG1 3.72Å; M10-W257 HydrophobicContact CE-CB 4.47Å
11P94.7Very high93.8Very high0 Ų019.4 Ų19.40%010%0.096CC..SBendtrans-74.146.1172.534.2-40.6000113I143 L172 W176 F180 R215 W257P11-I143 HydrophobicContact CG-CD1 4.33Å; P11-L172 HydrophobicContact CB-CD2 4.23Å; P11-L172 HydrophobicContact CG-CD1 3.92Å; P11-L172 HydrophobicContact CG-CD2 4.16Å; P11-W176 HydrophobicContact CB-CE3 4.09Å; P11-W176 HydrophobicContact CB-CZ3 3.91Å; P11-W176 HydrophobicContact CG-CE3 4.46Å; P11-W176 HydrophobicContact CG-CZ3 4.2Å; P11-F180 HydrophobicContact CB-CD1 3.9Å; P11-F180 HydrophobicContact CB-CE1 3.27Å; P11-F180 HydrophobicContact CB-CZ 3.66Å; P11-R215 CarbonylContact C-O 3.58Å; P11-R215 VanDerWaalsContact CA-O 3.29Å; P11-R215 WeakPolarHBondContact CA-O 3.14Å; P11-W257 HydrophobicContact CB-CE3 4.49Å; P11-W257 HydrophobicContact CB-CH2 4.04Å; P11-W257 HydrophobicContact CB-CZ3 3.84Å; P11-W257 HydrophobicContact CG-CD2 4.1Å; P11-W257 HydrophobicContact CG-CE3 3.45Å; P11-W257 VanDerWaalsContact CG-CE3 3.45Å; P11-W257 HydrophobicContact CG-CH2 3.69Å; P11-W257 HydrophobicContact CG-CZ2 4.36Å; P11-W257 HydrophobicContact CG-CZ3 3.24Å
12L93.1Very high94.1Very high0 Ų015.7 Ų15.70%08%0.078CC..SBendtrans-133.8167.9-178.3-62.2178.6000109.3M10 E16 Y17 R215 I216 M217 V256 W257 W263M10-L12 HydrophobicContact CB-CB 4.38Å; M10-L12 HydrophobicContact CB-CG 4.47Å; M10-L12 HydrophobicContact CE-CD1 4.09Å; M10-L12 PolarHBondContact O-N 3.5Å; L12-E16 HydrophobicContact CB-CB 4.44Å; L12-Y17 HydrophobicContact CD1-CD2 4.38Å; L12-R215 PolarHBondContact N-O 3.47Å; L12-I216 CarbonylContact O-C 3.49Å; L12-M217 HydrophobicContact CB-CG 4.4Å; L12-M217 WeakPolarHBondContact O-CB 3.43Å; L12-M217 WeakPolarHBondContact O-CG 3.41Å; L12-M217 PolarHBondContact O-N 3.46Å; L12-V256 HydrophobicContact CD1-CG1 3.95Å; L12-W257 HydrophobicContact CD2-CE3 4.47Å; L12-W257 HydrophobicContact CD2-CZ3 4.34Å; L12-W263 HydrophobicContact CD1-CH2 4.07Å; L12-W263 HydrophobicContact CD1-CZ2 3.96Å; L12-W263 HydrophobicContact CD2-CH2 3.88Å; L12-W263 HydrophobicContact CD2-CZ2 4.15Å
13T91.4Very high94.2Very high4 Ų416 Ų163%0.0258%0.077CC..  trans-85.7160.5162.758.80000112A15 E16 Y17 D117 Y191 R215T13-A15 PolarHBondContact O-N 3.34Å; T13-E16 PolarHBondContact N-OE2 3.14Å; T13-E16 PolarHBondContact O-N 2.77Å; T13-E16 VanDerWaalsContact OG1-CG 3.28Å; T13-E16 WeakPolarHBondContact OG1-CG 3.32Å; T13-E16 PolarHBondContact OG1-N 3.15Å; T13-E16 PolarHBondContact OG1-OE2 3.24Å; T13-Y17 WeakPolarHBondContact O-CB 3.48Å; T13-Y17 PolarHBondContact O-N 2.75Å; T13-D117 WeakPolarHBondContact CA-OD1 3.18Å; T13-Y191 HydrophobicContact CG2-CD2 3.96Å; T13-Y191 HydrophobicContact CG2-CE2 3.83Å; T13-Y191 HydrophobicContact CG2-CG 4.33Å; T13-R215 HydrophobicContact CG2-CB 3.86Å; T13-R215 HydrophobicContact CG2-CG 4.03Å
14V92.4Very high94.1Very high17 Ų1716.8 Ų16.810%0.1038%0.081CC..Hα-helixtrans-57.4-32.7169.6169.80000111.7R18 Y92 P93 F115 D117 M217V14-R18 PolarHBondContact O-N 3.36Å; V14-Y92 HydrophobicContact CG1-CE1 3.56Å; V14-Y92 WeakPolarHBondContact O-CE1 3.46Å; V14-Y92 PolarHBondContact O-OH 3.12Å; V14-P93 HydrophobicContact CG1-CB 4.27Å; V14-F115 HydrophobicContact CG1-CB 4.22Å; V14-F115 HydrophobicContact CG2-CB 4.28Å; V14-D117 WeakPolarHBondContact CB-OD2 3.29Å; V14-D117 HydrophobicContact CG2-CB 4.35Å; V14-D117 VanDerWaalsContact CG2-CG 3.47Å; V14-D117 WeakPolarHBondContact CG2-OD2 3.35Å; V14-D117 PolarHBondContact N-OD1 3.16Å; V14-M217 HydrophobicContact CG2-CB 3.92Å; V14-M217 HydrophobicContact CG2-CE 3.95Å
15A90.2Very high93.6Very high41 Ų4117.6 Ų17.634%0.3399%0.086SC..Hα-helixtrans-67.6-44.2176.600000112.7T13 R18 Y191T13-A15 PolarHBondContact O-N 3.34Å; A15-R18 WeakPolarHBondContact O-CB 3.39Å; A15-Y191 HydrophobicContact CB-CE1 4.12Å
16E91.8Very high93.1Very high12 Ų1218.4 Ų18.46%0.0569%0.089CC..Hα-helixtrans-69.5-45.6176.2-70.3166113.800111.9L12 T13 R18 I19 A20 R169 W263L12-E16 HydrophobicContact CB-CB 4.44Å; T13-E16 PolarHBondContact N-OE2 3.14Å; T13-E16 PolarHBondContact O-N 2.77Å; T13-E16 VanDerWaalsContact OG1-CG 3.28Å; T13-E16 WeakPolarHBondContact OG1-CG 3.32Å; T13-E16 PolarHBondContact OG1-N 3.15Å; T13-E16 PolarHBondContact OG1-OE2 3.24Å; E16-R18 PolarHBondContact O-N 3.47Å; E16-I19 PolarHBondContact O-N 2.99Å; E16-A20 PolarHBondContact O-N 2.99Å; E16-R169 IonicContact OE1-CZ 3.52Å; E16-R169 IonicContact OE1-NH1 2.76Å; E16-R169 PolarHBondContact OE1-NH1 3.2Å; E16-R169 IonicContact OE1-NH2 3.19Å; E16-R169 PolarHBondContact OE1-NH2 3.44Å; E16-R169 IonicContact OE2-NH1 2.87Å; E16-R169 PolarHBondContact OE2-NH1 2.87Å; E16-W263 HydrophobicContact CB-CH2 4.11Å; E16-W263 HydrophobicContact CB-CZ3 4.06Å
17Y94.5Very high92.7Very high3 Ų320.3 Ų20.31%0.01210%0.098CC..Hα-helixtrans-58.8-31.8-179-173-82.4000111.9M10 L12 T13 I19 A20 Q21 Y92 F115 M217 H253M10-Y17 HydrophobicContact CB-CD2 4.5Å; M10-Y17 HydrophobicContact CG-CD2 4.05Å; M10-Y17 HydrophobicContact CG-CE2 3.96Å; L12-Y17 HydrophobicContact CD1-CD2 4.38Å; T13-Y17 WeakPolarHBondContact O-CB 3.48Å; T13-Y17 PolarHBondContact O-N 2.75Å; Y17-I19 VanDerWaalsContact C-N 3.3Å; Y17-I19 PolarHBondContact O-N 2.92Å; Y17-A20 PolarHBondContact O-N 3.48Å; Y17-Q21 HydrophobicContact CD1-CB 4.07Å; Y17-Q21 HydrophobicContact CE1-CB 3.66Å; Y17-Q21 HydrophobicContact CE1-CG 3.96Å; Y17-Q21 VanDerWaalsContact O-CB 3.24Å; Y17-Q21 WeakPolarHBondContact O-CB 3.49Å; Y17-Q21 PolarHBondContact O-N 3.1Å; Y17-Y92 HydrophobicContact CD1-CE2 4.37Å; Y17-F115 HydrophobicContact CD1-CD1 4.01Å; Y17-F115 AromaticContact CD1-CE1 3.79Å; Y17-F115 HydrophobicContact CD1-CE1 3.79Å; Y17-F115 HydrophobicContact CD1-CZ 4.35Å; Y17-F115 AromaticContact CE1-CD1 3.88Å; Y17-F115 HydrophobicContact CE1-CD1 3.88Å; Y17-F115 AromaticContact CE1-CE1 3.21Å; Y17-F115 HydrophobicContact CE1-CE1 3.21Å; Y17-F115 AromaticContact CE1-CZ 3.73Å; Y17-F115 HydrophobicContact CE1-CZ 3.73Å; Y17-F115 AromaticContact CZ-CE1 3.94Å; Y17-M217 HydrophobicContact CD1-CE 3.9Å; Y17-M217 HydrophobicContact CD2-CE 4.11Å; Y17-M217 HydrophobicContact CD2-SD 3.89Å; Y17-M217 HydrophobicContact CG-CE 3.61Å; Y17-M217 HydrophobicContact CG-SD 4Å; Y17-H253 AromaticContact CE2-CD2 3.84Å; Y17-H253 AromaticContact CE2-NE2 3.91Å; Y17-H253 AromaticContact CZ-NE2 3.75Å; Y17-H253 PolarHBondContact OH-NE2 2.84Å
18R93.7Very high92Very high112 Ų11220.7 Ų20.742%0.42310%0.1SC..Hα-helixtrans-54.5-43.1173.9-172.3179.7175.1168.9-0.3113V14 A15 E16 L22 Y92V14-R18 PolarHBondContact O-N 3.36Å; A15-R18 WeakPolarHBondContact O-CB 3.39Å; E16-R18 PolarHBondContact O-N 3.47Å; R18-L22 WeakPolarHBondContact O-CD1 3.27Å; R18-L22 WeakPolarHBondContact O-CG 3.3Å; R18-Y92 HydrophobicContact CB-CD1 3.94Å; R18-Y92 HydrophobicContact CB-CE1 3.56Å; R18-Y92 HydrophobicContact CB-CE2 4.18Å; R18-Y92 HydrophobicContact CB-CG 4.39Å; R18-Y92 HydrophobicContact CG-CD1 3.7Å; R18-Y92 HydrophobicContact CG-CD2 4.2Å; R18-Y92 HydrophobicContact CG-CE1 3.88Å; R18-Y92 HydrophobicContact CG-CE2 4.37Å; R18-Y92 HydrophobicContact CG-CG 3.86Å; R18-Y92 PolarHBondContact N-OH 2.66Å
19I92.8Very high91.1Very high26 Ų2621 Ų2113%0.13310%0.102CC..Hα-helixtrans-77.4-47.5179-59.7-59.4000109.6E16 Y17 Q21 L22 Y23 W263 L266 I268 I271E16-I19 PolarHBondContact O-N 2.99Å; Y17-I19 VanDerWaalsContact C-N 3.3Å; Y17-I19 PolarHBondContact O-N 2.92Å; I19-Q21 PolarHBondContact O-N 3.47Å; I19-L22 PolarHBondContact O-N 3.23Å; I19-Y23 PolarHBondContact O-N 3.44Å; I19-W263 HydrophobicContact CG2-CE3 4.5Å; I19-L266 HydrophobicContact CG2-CB 3.98Å; I19-I268 HydrophobicContact CD1-CB 4.35Å; I19-I268 HydrophobicContact CD1-CD1 4.3Å; I19-I271 HydrophobicContact CD1-CG1 4.44Å; I19-I271 HydrophobicContact CG2-CD1 4.14Å; I19-I271 HydrophobicContact CG2-CG1 4.16Å
20A93.4Very high90.2Very high0 Ų025 Ų250%012%0.117CC..Hα-helixtrans-59.6-42-177.400000113.4E16 Y17 M24 V256 W263E16-A20 PolarHBondContact O-N 2.99Å; Y17-A20 PolarHBondContact O-N 3.48Å; A20-M24 VanDerWaalsContact O-CB 3.28Å; A20-M24 WeakPolarHBondContact O-CB 3.5Å; A20-M24 PolarHBondContact O-N 3.21Å; A20-V256 HydrophobicContact CB-CG1 3.87Å; A20-W263 HydrophobicContact CB-CD2 3.49Å; A20-W263 VanDerWaalsContact CB-CD2 3.49Å; A20-W263 HydrophobicContact CB-CE3 3.8Å; A20-W263 HydrophobicContact CB-CG 4.05Å; A20-W263 HydrophobicContact CB-CH2 3.95Å; A20-W263 HydrophobicContact CB-CZ2 3.59Å; A20-W263 HydrophobicContact CB-CZ3 4.03Å
21Q91.9Very high89.3Confident19 Ų1929.7 Ų29.79%0.08914%0.139CC..Hα-helixtrans-61.7-46.5177.4-174.9-167.9-12.200111.4Y17 I19 M24 I25Y17-Q21 HydrophobicContact CD1-CB 4.07Å; Y17-Q21 HydrophobicContact CE1-CB 3.66Å; Y17-Q21 HydrophobicContact CE1-CG 3.96Å; Y17-Q21 VanDerWaalsContact O-CB 3.24Å; Y17-Q21 WeakPolarHBondContact O-CB 3.49Å; Y17-Q21 PolarHBondContact O-N 3.1Å; I19-Q21 PolarHBondContact O-N 3.47Å; Q21-M24 HydrophobicContact CG-CE 4.33Å; Q21-M24 PolarHBondContact O-N 3.07Å; Q21-I25 HydrophobicContact CG-CD1 4.02Å; Q21-I25 WeakPolarHBondContact O-CD1 3.19Å; Q21-I25 VanDerWaalsContact O-CG1 3.26Å; Q21-I25 WeakPolarHBondContact O-CG1 2.94Å; Q21-I25 PolarHBondContact O-N 2.87Å
22L91.6Very high88.2Confident15 Ų1533.6 Ų33.68%0.07916%0.157CC..Hα-helixtrans-68.1-43.8-178.3-66.8172000110.8R18 I19 M24 I25 Q26 I268 I271R18-L22 WeakPolarHBondContact O-CD1 3.27Å; R18-L22 WeakPolarHBondContact O-CG 3.3Å; I19-L22 PolarHBondContact O-N 3.23Å; L22-M24 PolarHBondContact O-N 3.21Å; L22-I25 PolarHBondContact O-N 3.38Å; L22-Q26 WeakPolarHBondContact O-CG 3.46Å; L22-Q26 PolarHBondContact O-N 3.45Å; L22-Q26 VanDerWaalsContact O-N 3.12Å; L22-I268 HydrophobicContact CD1-CD1 3.59Å; L22-I271 HydrophobicContact CB-CD1 4.47Å; L22-I271 HydrophobicContact CB-CG2 3.53Å; L22-I271 HydrophobicContact CD1-CG2 3.81Å; L22-I271 HydrophobicContact CG-CG2 4.26Å
23Y92.8Very high87Confident45 Ų4533.8 Ų33.818%0.17616%0.158CC..Hα-helixtrans-55.7-49.4174-176.3-89.4000111.9I19 I25 Q26 K27 E262 W263 L266 I271 L274I19-Y23 PolarHBondContact O-N 3.44Å; Y23-I25 PolarHBondContact O-N 3.35Å; Y23-Q26 PolarHBondContact O-N 3.19Å; Y23-K27 HydrophobicContact CE1-CB 4.3Å; Y23-K27 HydrophobicContact CE1-CD 3.85Å; Y23-K27 PolarHBondContact O-N 3.09Å; Y23-E262 HydrophobicContact CE1-CB 3.97Å; Y23-E262 VanDerWaalsContact CE1-OE2 3.26Å; Y23-E262 WeakPolarHBondContact CE1-OE2 3.46Å; Y23-E262 PolarHBondContact OH-OE2 3.05Å; Y23-W263 HydrophobicContact CD1-CB 3.87Å; Y23-W263 HydrophobicContact CD2-CB 4.09Å; Y23-W263 HydrophobicContact CG-CB 3.62Å; Y23-L266 HydrophobicContact CD2-CD1 3.63Å; Y23-L266 HydrophobicContact CE2-CD1 4.06Å; Y23-I271 HydrophobicContact CD2-CD1 4.41Å; Y23-L274 HydrophobicContact CD2-CD1 3.99Å; Y23-L274 HydrophobicContact CE2-CD1 4.15Å
24M92.1Very high85.8Confident18 Ų1837.9 Ų37.99%0.08918%0.184CC..Hα-helixtrans-57.9-43.6177.3174.6-154.565.300112.4A20 Q21 L22 Q26 K27 K28 A252 V256 W259A20-M24 VanDerWaalsContact O-CB 3.28Å; A20-M24 WeakPolarHBondContact O-CB 3.5Å; A20-M24 PolarHBondContact O-N 3.21Å; Q21-M24 HydrophobicContact CG-CE 4.33Å; Q21-M24 PolarHBondContact O-N 3.07Å; L22-M24 PolarHBondContact O-N 3.21Å; M24-Q26 VanDerWaalsContact C-N 3.32Å; M24-Q26 PolarHBondContact O-N 3.11Å; M24-K27 PolarHBondContact O-N 3.09Å; M24-K28 HydrophobicContact CG-CD 4.1Å; M24-K28 WeakPolarHBondContact O-CB 3.29Å; M24-K28 WeakPolarHBondContact O-CG 3.46Å; M24-K28 PolarHBondContact O-N 3.15Å; M24-A252 HydrophobicContact SD-CB 3.6Å; M24-V256 HydrophobicContact CB-CG2 3.77Å; M24-V256 HydrophobicContact CG-CG2 3.94Å; M24-V256 HydrophobicContact SD-CG2 3.49Å; M24-V256 WeakPolarHBondContact SD-CG2 3.39Å; M24-W259 HydrophobicContact CB-CZ3 4.46Å; M24-W259 HydrophobicContact CG-CZ3 4.14Å
25I86.2Confident84.4Confident44 Ų4437.8 Ų37.823%0.22619%0.186CC..Hα-helixtrans-61.2-43.2178.7-69.5163.2000110.4Q21 L22 Y23 S29Q21-I25 HydrophobicContact CG-CD1 4.02Å; Q21-I25 WeakPolarHBondContact O-CD1 3.19Å; Q21-I25 VanDerWaalsContact O-CG1 3.26Å; Q21-I25 WeakPolarHBondContact O-CG1 2.94Å; Q21-I25 PolarHBondContact O-N 2.87Å; L22-I25 PolarHBondContact O-N 3.38Å; Y23-I25 PolarHBondContact O-N 3.35Å; I25-S29 VanDerWaalsContact O-CB 3.31Å; I25-S29 WeakPolarHBondContact O-CB 3.45Å; I25-S29 PolarHBondContact O-N 2.98Å; I25-S29 PolarHBondContact O-OG 3.38Å
26Q86.2Confident82.7Confident16 Ų1644 Ų448%0.07520%0.2CC..Hα-helixtrans-69.7-44.1179.8-60.8-41.6110.100112.4L22 Y23 M24 S29 R30 E275 T278L22-Q26 WeakPolarHBondContact O-CG 3.46Å; L22-Q26 PolarHBondContact O-N 3.45Å; L22-Q26 VanDerWaalsContact O-N 3.12Å; Y23-Q26 PolarHBondContact O-N 3.19Å; M24-Q26 VanDerWaalsContact C-N 3.32Å; M24-Q26 PolarHBondContact O-N 3.11Å; Q26-S29 PolarHBondContact O-N 3.42Å; Q26-R30 WeakPolarHBondContact O-CG 3.41Å; Q26-R30 PolarHBondContact O-N 3.17Å; Q26-R30 VanDerWaalsContact O-N 3.15Å; Q26-E275 HydrophobicContact CG-CG 4.02Å; Q26-T278 VanDerWaalsContact NE2-CB 3.26Å; Q26-T278 PolarHBondContact NE2-OG1 3.03Å
27K88Confident81Confident40 Ų4045.2 Ų45.217%0.17422%0.216CC..Hα-helixtrans-59.4-51.5176.4-175168.4176.6-175.10111.5Y23 M24 S29 R30 E31 W259 E262Y23-K27 HydrophobicContact CE1-CB 4.3Å; Y23-K27 HydrophobicContact CE1-CD 3.85Å; Y23-K27 PolarHBondContact O-N 3.09Å; M24-K27 PolarHBondContact O-N 3.09Å; K27-S29 PolarHBondContact O-N 3.02Å; K27-R30 PolarHBondContact O-N 3.41Å; K27-E31 WeakPolarHBondContact CE-OE1 3.33Å; K27-E31 WeakPolarHBondContact CG-OE1 3.33Å; K27-E31 WeakPolarHBondContact O-CG 3.46Å; K27-E31 PolarHBondContact O-N 2.76Å; K27-E31 VanDerWaalsContact O-N 3.07Å; K27-W259 HydrophobicContact CB-CZ3 4.25Å; K27-W259 HydrophobicContact CD-CD2 4.05Å; K27-W259 HydrophobicContact CD-CE3 3.84Å; K27-W259 HydrophobicContact CD-CH2 3.83Å; K27-W259 HydrophobicContact CD-CZ2 4.07Å; K27-W259 HydrophobicContact CD-CZ3 3.73Å; K27-W259 HydrophobicContact CG-CH2 4.12Å; K27-W259 HydrophobicContact CG-CZ3 4.12Å; K27-W259 VanDerWaalsContact NZ-CE2 3.27Å; K27-E262 IonicContact NZ-OE1 3.69Å; K27-E262 PolarHBondContact NZ-OE1 3.35Å; K27-E262 IonicContact NZ-OE2 3.37Å; K27-E262 PolarHBondContact NZ-OE2 2.79Å
28K83.9Confident79.5Confident21 Ų2145.9 Ų45.99%0.09122%0.221CC..Hα-helixtrans-58.6-43.3175.5-77.4-179.6170.6-83.80113.1M24 R30 E31 E32 W259M24-K28 HydrophobicContact CG-CD 4.1Å; M24-K28 WeakPolarHBondContact O-CB 3.29Å; M24-K28 WeakPolarHBondContact O-CG 3.46Å; M24-K28 PolarHBondContact O-N 3.15Å; K28-R30 VanDerWaalsContact C-N 3.27Å; K28-R30 PolarHBondContact O-N 3.06Å; K28-E31 PolarHBondContact O-N 3.48Å; K28-E31 VanDerWaalsContact O-N 3.14Å; K28-E32 IonicContact NZ-OE1 2.75Å; K28-E32 WeakPolarHBondContact O-CB 3.25Å; K28-E32 WeakPolarHBondContact O-CG 3.38Å; K28-E32 PolarHBondContact O-N 3.24Å; K28-W259 HydrophobicContact CG-CH2 4.49Å
29S78.3Confident78.3Confident6 Ų640.8 Ų40.84%0.04220%0.204CC..Hα-helixtrans-60.3-38.3179.9-59.50000112I25 Q26 K27 S33 L282I25-S29 VanDerWaalsContact O-CB 3.31Å; I25-S29 WeakPolarHBondContact O-CB 3.45Å; I25-S29 PolarHBondContact O-N 2.98Å; I25-S29 PolarHBondContact O-OG 3.38Å; Q26-S29 PolarHBondContact O-N 3.42Å; K27-S29 PolarHBondContact O-N 3.02Å; S29-S33 WeakPolarHBondContact O-CB 3.32Å; S29-S33 PolarHBondContact O-OG 3.05Å; S29-L282 WeakPolarHBondContact O-CD2 3.5Å
30R79.1Confident77.7Confident87 Ų8739.8 Ų39.833%0.32820%0.199SC..Hα-helixtrans-68.2-40.8174.6-66.7-177.2-171.4-164.84.8112.6Q26 K27 K28 L274 E277 T278 K285Q26-R30 WeakPolarHBondContact O-CG 3.41Å; Q26-R30 PolarHBondContact O-N 3.17Å; Q26-R30 VanDerWaalsContact O-N 3.15Å; K27-R30 PolarHBondContact O-N 3.41Å; K28-R30 VanDerWaalsContact C-N 3.27Å; K28-R30 PolarHBondContact O-N 3.06Å; R30-L274 PolarHBondContact NH2-O 3.04Å; R30-E277 IonicContact CZ-OE2 3.32Å; R30-E277 IonicContact NH1-OE2 3.05Å; R30-E277 IonicContact NH2-OE2 3.91Å; R30-E277 PolarHBondContact NH2-OE2 2.66Å; R30-T278 HydrophobicContact CG-CG2 3.73Å; R30-T278 PolarHBondContact NE-OG1 2.82Å; R30-T278 PolarHBondContact NH2-OG1 2.95Å; R30-K285 PolarHBondContact O-NZ 3.49Å
31E78Confident77.1Confident97 Ų9743 Ų4345%0.45321%0.214SC..Hα-helixtrans-71.9-44.2-178.8-72.7174.7-174.800113.2K27 K28 S33K27-E31 WeakPolarHBondContact CE-OE1 3.33Å; K27-E31 WeakPolarHBondContact CG-OE1 3.33Å; K27-E31 WeakPolarHBondContact O-CG 3.46Å; K27-E31 PolarHBondContact O-N 2.76Å; K27-E31 VanDerWaalsContact O-N 3.07Å; K28-E31 PolarHBondContact O-N 3.48Å; K28-E31 VanDerWaalsContact O-N 3.14Å; E31-S33 VanDerWaalsContact C-N 3.35Å; E31-S33 PolarHBondContact O-N 2.94Å
32E70.3Confident76.7Confident83 Ų8343.9 Ų43.939%0.38822%0.219SC..Hα-helixtrans-82.5-8.7-171.9-66172.6-172.700113.3K28K28-E32 IonicContact NZ-OE1 2.75Å; K28-E32 WeakPolarHBondContact O-CB 3.25Å; K28-E32 WeakPolarHBondContact O-CG 3.38Å; K28-E32 PolarHBondContact O-N 3.24Å
33S68.8Low76.4Confident3 Ų347 Ų472%0.02124%0.236CC..  trans-99.5117.8-178.8-58.90000112.6S29 E31 G39 V40 L282 K285S29-S33 WeakPolarHBondContact O-CB 3.32Å; S29-S33 PolarHBondContact O-OG 3.05Å; E31-S33 VanDerWaalsContact C-N 3.35Å; E31-S33 PolarHBondContact O-N 2.94Å; S33-G39 WeakPolarHBondContact OG-CA 3.44Å; S33-V40 PolarHBondContact OG-N 2.91Å; S33-L282 WeakPolarHBondContact OG-CD2 3.31Å; S33-K285 WeakPolarHBondContact O-CD 3.14Å; S33-K285 PolarHBondContact O-NZ 2.83Å
34T65Low76.3Confident91 Ų9149 Ų4956%0.55825%0.245SC*.  trans-113.8-20.4-172.960.70000114.5S38T34-S38 PolarHBondContact N-O 3.45Å; T34-S38 VanDerWaalsContact OG1-CB 3.25Å; T34-S38 WeakPolarHBondContact OG1-CB 3.18Å; T34-S38 PolarHBondContact OG1-O 3.47Å; T34-S38 PolarHBondContact OG1-OG 3.17Å
35G63.3Low76.1Confident15 Ų1551 Ų5116%0.15526%0.256CS..BIsolated β-bridgetrans165.2-168.2173.900000115.2G37 S38G35-G37 VanDerWaalsContact C-N 3.32Å; G35-G37 PolarHBondContact O-N 3.06Å; G35-S38 PolarHBondContact N-O 3.17Å; G35-S38 VanDerWaalsContact N-O 3.1Å; G35-S38 CarbonylContact O-C 3.4Å; G35-S38 PolarHBondContact O-N 3.24Å
36R55.2Low76.3Confident170 Ų17052.5 Ų52.564%0.64226%0.262SS*.THydrogen-bonded Turntrans-67.580.1-177-166.9177.8-174.9142.9-1.1112.8M286 S289R36-M286 WeakPolarHBondContact CD-O 3.41Å; R36-S289 VanDerWaalsContact CB-OG 3.28Å; R36-S289 WeakPolarHBondContact CB-OG 3.17Å
37G56Low76.5Confident38 Ų3856.5 Ų56.539%0.39229%0.29SS..THydrogen-bonded Turntrans139-4.9-176.400000114.4G35G35-G37 VanDerWaalsContact C-N 3.32Å; G35-G37 PolarHBondContact O-N 3.06Å
38S62.5Low76.7Confident17 Ų1755.8 Ų55.812%0.11929%0.286CS..BIsolated β-bridgetrans-151.193.1-176.9-165.40000108.9T34 G35 S67 H68T34-S38 PolarHBondContact N-O 3.45Å; T34-S38 VanDerWaalsContact OG1-CB 3.25Å; T34-S38 WeakPolarHBondContact OG1-CB 3.18Å; T34-S38 PolarHBondContact OG1-O 3.47Å; T34-S38 PolarHBondContact OG1-OG 3.17Å; G35-S38 PolarHBondContact N-O 3.17Å; G35-S38 VanDerWaalsContact N-O 3.1Å; G35-S38 CarbonylContact O-C 3.4Å; G35-S38 PolarHBondContact O-N 3.24Å; S38-S67 WeakPolarHBondContact CB-OG 3.42Å; S38-S67 PolarHBondContact OG-OG 3.45Å; S38-H68 PolarHBondContact OG-NE2 3.19Å
39G69.5Low77.1Confident6 Ų660.8 Ų60.86%0.06231%0.31CS..EExtended strand (participates in β ladder)trans152.8-169.3-176.800000114.9S33 H64S33-G39 WeakPolarHBondContact OG-CA 3.44Å; G39-H64 PolarHBondContact O-N 3.27Å
40V79.5Confident77.5Confident4 Ų468 Ų682%0.02435%0.348CS..EExtended strand (participates in β ladder)trans-114.6124.9-173.6-166.70000111.8S33 K61 I62 Y63 L282 M286S33-V40 PolarHBondContact OG-N 2.91Å; V40-K61 HydrophobicContact CG1-CB 4.1Å; V40-K61 HydrophobicContact CG1-CD 3.8Å; V40-I62 CarbonylContact C-O 3.51Å; V40-I62 WeakPolarHBondContact CA-O 3.41Å; V40-Y63 HydrophobicContact CB-CE1 4.39Å; V40-Y63 HydrophobicContact CG1-CD1 4.44Å; V40-Y63 HydrophobicContact CG1-CE1 4.07Å; V40-Y63 HydrophobicContact CG1-CE2 4.17Å; V40-Y63 HydrophobicContact CG2-CD1 3.7Å; V40-Y63 HydrophobicContact CG2-CE1 3.42Å; V40-Y63 VanDerWaalsContact CG2-CE1 3.42Å; V40-L282 HydrophobicContact CB-CD1 4.47Å; V40-M286 WeakPolarHBondContact O-CE 3.21Å
41E81.1Confident77.9Confident68 Ų6865.3 Ų65.332%0.31835%0.347SS..EExtended strand (participates in β ladder)trans-98.3128.9169.6-172.3-178.5-165.700108.6L43 K61 I62 M286E41-L43 HydrophobicContact CG-CD2 4.03Å; E41-L43 HydrophobicContact CG-CG 4.38Å; E41-L43 WeakPolarHBondContact OE1-CD2 3.38Å; E41-K61 CarbonylContact O-C 3.48Å; E41-K61 WeakPolarHBondContact O-CA 3.27Å; E41-K61 WeakPolarHBondContact O-CB 3.47Å; E41-I62 HydrophobicContact CB-CB 4.18Å; E41-I62 PolarHBondContact N-O 3.38Å; E41-I62 PolarHBondContact O-N 2.97Å; E41-I62 VanDerWaalsContact OE2-CD1 3.26Å; E41-I62 WeakPolarHBondContact OE2-CD1 3.49Å; E41-M286 HydrophobicContact CB-CE 4.1Å; E41-M286 HydrophobicContact CB-SD 3.79Å; E41-M286 HydrophobicContact CG-SD 4.23Å
42I84Confident78.3Confident38 Ų3862.6 Ų62.620%0.19534%0.338CS..EExtended strand (participates in β ladder)trans-103.1101.8177.5-57.1-179.3000108.4N45 K61 A279 L282I42-N45 HydrophobicContact CG2-CB 4.49Å; I42-K61 HydrophobicContact CG1-CD 4.2Å; I42-K61 HydrophobicContact CG1-CG 4.37Å; I42-A279 HydrophobicContact CB-CB 4.31Å; I42-A279 HydrophobicContact CD1-CB 4.15Å; I42-L282 HydrophobicContact CD1-CD1 3.98Å; I42-L282 HydrophobicContact CG1-CD1 4.25Å
43L85.5Confident79.2Confident80 Ų8061.1 Ų61.142%0.41935%0.345SS..EExtended strand (participates in β ladder)trans-85.4-30-178.2-71.5-174.7000113.4E41 F60 I62E41-L43 HydrophobicContact CG-CD2 4.03Å; E41-L43 HydrophobicContact CG-CG 4.38Å; E41-L43 WeakPolarHBondContact OE1-CD2 3.38Å; L43-F60 HydrophobicContact CB-CD1 3.81Å; L43-F60 HydrophobicContact CD1-CD1 3.73Å; L43-F60 HydrophobicContact CD1-CE1 3.6Å; L43-F60 HydrophobicContact CG-CD1 4.39Å; L43-F60 PolarHBondContact N-O 3.35Å; L43-I62 HydrophobicContact CD1-CD1 3.4Å; L43-I62 VanDerWaalsContact CD1-CD1 3.4Å; L43-I62 HydrophobicContact CD1-CG1 4.14Å; L43-I62 HydrophobicContact CG-CD1 4.03Å
44K89.7Confident80.2Confident87 Ų8762.7 Ų62.738%0.37836%0.362SS..EExtended strand (participates in β ladder)trans-143.6142.3175.9-64.1-179.2149.8-130.10111.2E46 Y58 T59 F60K44-E46 WeakPolarHBondContact CD-OE1 3.27Å; K44-E46 IonicContact NZ-OE1 2.78Å; K44-E46 PolarHBondContact NZ-OE1 3.03Å; K44-E46 IonicContact NZ-OE2 3.2Å; K44-Y58 HydrophobicContact CB-CE1 4.49Å; K44-Y58 HydrophobicContact CD-CD1 4.38Å; K44-Y58 HydrophobicContact CD-CE1 3.82Å; K44-T59 VanDerWaalsContact O-CA 3.23Å; K44-T59 WeakPolarHBondContact O-CA 3.5Å; K44-F60 HydrophobicContact CB-CB 3.84Å; K44-F60 HydrophobicContact CD-CB 4.17Å; K44-F60 HydrophobicContact CG-CB 4.13Å; K44-F60 PolarHBondContact N-O 3.38Å; K44-F60 PolarHBondContact O-N 3.25Å
45N87.8Confident81.5Confident59 Ų5965 Ų6532%0.31636%0.364SS..EExtended strand (participates in β ladder)trans-146.688.4164-177.312000107.9I42 Q57 Y58 T59 E275I42-N45 HydrophobicContact CG2-CB 4.49Å; N45-Q57 VanDerWaalsContact OD1-CG 3.24Å; N45-Q57 WeakPolarHBondContact OD1-CG 3.5Å; N45-Q57 PolarHBondContact OD1-NE2 3.43Å; N45-Y58 WeakPolarHBondContact CA-O 3.45Å; N45-T59 HydrophobicContact CB-CG2 4.18Å; N45-E275 PolarHBondContact ND2-OE2 2.83Å
46E90.2Very high82.9Confident76 Ų7665.1 Ų65.136%0.35537%0.366SS..EExtended strand (participates in β ladder)trans-133.9146.5-169.565.4-168.8165.500111.8K44 Y58K44-E46 WeakPolarHBondContact CD-OE1 3.27Å; K44-E46 IonicContact NZ-OE1 2.78Å; K44-E46 PolarHBondContact NZ-OE1 3.03Å; K44-E46 IonicContact NZ-OE2 3.2Å; E46-Y58 HydrophobicContact CG-CD1 4.11Å; E46-Y58 PolarHBondContact N-O 3.37Å; E46-Y58 PolarHBondContact O-N 2.92Å
47P90.9Very high84.6Confident101 Ų10158.3 Ų58.366%0.65634%0.341SS*.EExtended strand (participates in β ladder)trans-70.3143173.330-34.4000110.9G56P47-G56 WeakPolarHBondContact CA-O 3.39Å
48Y93.3Very high86.4Confident25 Ų2558 Ų5810%0.09833%0.329CS..EExtended strand (participates in β ladder)trans-128.2147.7175.477.8-82.6000111.1G51 P52 G54 K55 G56 Q57 W89 A91Y48-G51 VanDerWaalsContact CE2-CA 3.5Å; Y48-P52 PolarHBondContact OH-O 3.27Å; Y48-G54 WeakPolarHBondContact CE2-O 3.01Å; Y48-K55 WeakPolarHBondContact O-CA 3.22Å; Y48-K55 WeakPolarHBondContact O-CG 3.16Å; Y48-G56 VanDerWaalsContact CD1-C 3.4Å; Y48-G56 VanDerWaalsContact CD1-O 3.3Å; Y48-G56 WeakPolarHBondContact CD1-O 3.49Å; Y48-G56 VanDerWaalsContact CE1-CA 3.48Å; Y48-G56 PolarHBondContact N-O 3.22Å; Y48-G56 PolarHBondContact O-N 3.35Å; Y48-Q57 VanDerWaalsContact CD1-C 3.44Å; Y48-Q57 WeakPolarHBondContact CE1-O 3.35Å; Y48-W89 HydrophobicContact CE1-CB 4.08Å; Y48-W89 HydrophobicContact CE1-CG 4.47Å; Y48-W89 AromaticContact CZ-CD1 3.96Å; Y48-A91 WeakPolarHBondContact OH-CB 3.4Å
49E90.4Very high87.7Confident126 Ų12658.4 Ų58.459%0.58933%0.33SS*.EExtended strand (participates in β ladder)trans-107.8-17.8-177.6-56.2-155.8123.500114.7G54 K55E49-G54 CarbonylContact C-O 3.51Å; E49-K55 HydrophobicContact CG-CD 4.21Å; E49-K55 IonicContact OE1-NZ 3.94Å; E49-K55 PolarHBondContact OE1-NZ 3.07Å
50N88.2Confident88.8Confident156 Ų15659.9 Ų59.983%0.83434%0.335SS*.EExtended strand (participates in β ladder)trans-135.9101.7-178.4-67-81.3000110
51G86Confident89.3Confident31 Ų3160.4 Ų60.432%0.3234%0.337SS..EExtended strand (participates in β ladder)trans-172.2-169178.200000112.8Y48 G53 G54Y48-G51 VanDerWaalsContact CE2-CA 3.5Å; G51-G53 PolarHBondContact O-N 2.96Å; G51-G53 VanDerWaalsContact O-N 3.12Å; G51-G54 PolarHBondContact N-O 3.47Å; G51-G54 VanDerWaalsContact N-O 3.11Å; G51-G54 PolarHBondContact O-N 3.17Å
52P87.6Confident89.6Confident40 Ų4057.2 Ų57.226%0.2632%0.322SS..THydrogen-bonded Turntrans-55.4113.4178.7-25.835.5000112.4Y48 W89 Y94 R96Y48-P52 PolarHBondContact OH-O 3.27Å; P52-W89 HydrophobicContact CB-CB 4.28Å; P52-W89 HydrophobicContact CB-CG 4.48Å; P52-W89 HydrophobicContact CG-CB 4.33Å; P52-W89 HydrophobicContact CG-CD2 3.96Å; P52-W89 HydrophobicContact CG-CE3 4.25Å; P52-W89 HydrophobicContact CG-CG 4.01Å; P52-Y94 VanDerWaalsContact C-CE1 3.44Å; P52-Y94 HydrophobicContact CB-CE1 3.77Å; P52-Y94 WeakPolarHBondContact O-CE1 3.14Å; P52-R96 HydrophobicContact CB-CB 4.2Å
53G88.3Confident89.5Confident53 Ų5357.7 Ų57.755%0.54632%0.322SS..THydrogen-bonded Turntrans89.41.6-175.900000115.5G51G51-G53 PolarHBondContact O-N 2.96Å; G51-G53 VanDerWaalsContact O-N 3.12Å
54G91.3Very high89.1Confident36 Ų3656.2 Ų56.237%0.37131%0.313SS..EExtended strand (participates in β ladder)trans102.4-103.4175.200000113.1Y48 E49 G51Y48-G54 WeakPolarHBondContact CE2-O 3.01Å; E49-G54 CarbonylContact C-O 3.51Å; G51-G54 PolarHBondContact N-O 3.47Å; G51-G54 VanDerWaalsContact N-O 3.11Å; G51-G54 PolarHBondContact O-N 3.17Å
55K92.4Very high88.2Confident138 Ų13853 Ų5360%0.630%0.3SS*.EExtended strand (participates in β ladder)trans-117.2136.8-177.8172.7164-174.91670110.5Y48 E49 A91Y48-K55 WeakPolarHBondContact O-CA 3.22Å; Y48-K55 WeakPolarHBondContact O-CG 3.16Å; E49-K55 HydrophobicContact CG-CD 4.21Å; E49-K55 IonicContact OE1-NZ 3.94Å; E49-K55 PolarHBondContact OE1-NZ 3.07Å; K55-A91 WeakPolarHBondContact O-CB 3.39Å
56G91.9Very high86.9Confident18 Ų1850.9 Ų50.919%0.18629%0.292CS..EExtended strand (participates in β ladder)trans-175.4-156.1-174.900000114.1P47 Y48 N90P47-G56 WeakPolarHBondContact CA-O 3.39Å; Y48-G56 VanDerWaalsContact CD1-C 3.4Å; Y48-G56 VanDerWaalsContact CD1-O 3.3Å; Y48-G56 WeakPolarHBondContact CD1-O 3.49Å; Y48-G56 VanDerWaalsContact CE1-CA 3.48Å; Y48-G56 PolarHBondContact N-O 3.22Å; Y48-G56 PolarHBondContact O-N 3.35Å; G56-N90 CarbonylContact C-O 3.55Å; G56-N90 WeakPolarHBondContact CA-O 3.35Å
57Q90.6Very high85.5Confident28 Ų2849.5 Ų49.513%0.13129%0.291CS..EExtended strand (participates in β ladder)trans-102.3135.8170.4-159.775.54.200111.1N45 Y48 N90 R272N45-Q57 VanDerWaalsContact OD1-CG 3.24Å; N45-Q57 WeakPolarHBondContact OD1-CG 3.5Å; N45-Q57 PolarHBondContact OD1-NE2 3.43Å; Y48-Q57 VanDerWaalsContact CD1-C 3.44Å; Y48-Q57 WeakPolarHBondContact CE1-O 3.35Å; Q57-N90 PolarHBondContact N-O 3.23Å; Q57-N90 PolarHBondContact O-N 3.46Å; Q57-R272 VanDerWaalsContact CD-NH2 3.27Å
58Y93.5Very high84.3Confident32 Ų3246.9 Ų46.913%0.12527%0.27CS..EExtended strand (participates in β ladder)trans-106.6129.3171.5175.2-112.4000109.6K44 N45 E46 F60 E87 A88 W89K44-Y58 HydrophobicContact CB-CE1 4.49Å; K44-Y58 HydrophobicContact CD-CD1 4.38Å; K44-Y58 HydrophobicContact CD-CE1 3.82Å; N45-Y58 WeakPolarHBondContact CA-O 3.45Å; E46-Y58 HydrophobicContact CG-CD1 4.11Å; E46-Y58 PolarHBondContact N-O 3.37Å; E46-Y58 PolarHBondContact O-N 2.92Å; Y58-F60 HydrophobicContact CE1-CB 4.15Å; Y58-E87 HydrophobicContact CE2-CB 4.16Å; Y58-E87 WeakPolarHBondContact OH-CG 3.35Å; Y58-A88 CarbonylContact C-O 3.55Å; Y58-A88 VanDerWaalsContact CA-O 3.29Å; Y58-A88 WeakPolarHBondContact CA-O 3.36Å; Y58-A88 VanDerWaalsContact CD2-O 3.32Å; Y58-A88 WeakPolarHBondContact CD2-O 3.43Å; Y58-W89 AromaticContact CD2-CD1 3.62Å; Y58-W89 HydrophobicContact CD2-CD2 4.14Å; Y58-W89 AromaticContact CD2-CE2 3.7Å; Y58-W89 HydrophobicContact CD2-CG 4.11Å; Y58-W89 HydrophobicContact CD2-CZ2 4.28Å; Y58-W89 AromaticContact CD2-NE1 3.34Å; Y58-W89 VanDerWaalsContact CD2-NE1 3.34Å; Y58-W89 HydrophobicContact CE2-CD2 4.29Å; Y58-W89 AromaticContact CE2-CE2 3.62Å; Y58-W89 HydrophobicContact CE2-CH2 4.43Å; Y58-W89 AromaticContact CE2-CZ2 3.72Å; Y58-W89 HydrophobicContact CE2-CZ2 3.72Å; Y58-W89 AromaticContact CE2-NE1 3.67Å
59T90.5Very high83Confident25 Ų2546.6 Ų46.615%0.15327%0.27CS..EExtended strand (participates in β ladder)trans-120.6138.216961.90000111.1K44 N45 A88K44-T59 VanDerWaalsContact O-CA 3.23Å; K44-T59 WeakPolarHBondContact O-CA 3.5Å; N45-T59 HydrophobicContact CB-CG2 4.18Å; T59-A88 PolarHBondContact N-O 3.44Å; T59-A88 PolarHBondContact O-N 2.9Å
60F92.6Very high81.8Confident37 Ų3741.4 Ų41.416%0.16225%0.247CC..EExtended strand (participates in β ladder)trans-117.7121.5168.2-172.7-128.9000108.5L43 K44 Y58 E85 E86 E87L43-F60 HydrophobicContact CB-CD1 3.81Å; L43-F60 HydrophobicContact CD1-CD1 3.73Å; L43-F60 HydrophobicContact CD1-CE1 3.6Å; L43-F60 HydrophobicContact CG-CD1 4.39Å; L43-F60 PolarHBondContact N-O 3.35Å; K44-F60 HydrophobicContact CB-CB 3.84Å; K44-F60 HydrophobicContact CD-CB 4.17Å; K44-F60 HydrophobicContact CG-CB 4.13Å; K44-F60 PolarHBondContact N-O 3.38Å; K44-F60 PolarHBondContact O-N 3.25Å; Y58-F60 HydrophobicContact CE1-CB 4.15Å; F60-E85 HydrophobicContact CE2-CB 4.01Å; F60-E85 HydrophobicContact CZ-CB 4.26Å; F60-E85 HydrophobicContact CZ-CG 4.4Å; F60-E86 CarbonylContact C-O 3.53Å; F60-E86 WeakPolarHBondContact CA-O 3.33Å; F60-E86 WeakPolarHBondContact CD2-O 3.36Å; F60-E87 HydrophobicContact CD2-CG 3.57Å; F60-E87 HydrophobicContact CE2-CG 3.77Å
61K90.1Very high80.7Confident14 Ų1436.7 Ų36.76%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-130157-178.5-45.8-169.6-161.4104.80111.7V40 E41 I42 Y63 E86V40-K61 HydrophobicContact CG1-CB 4.1Å; V40-K61 HydrophobicContact CG1-CD 3.8Å; E41-K61 CarbonylContact O-C 3.48Å; E41-K61 WeakPolarHBondContact O-CA 3.27Å; E41-K61 WeakPolarHBondContact O-CB 3.47Å; I42-K61 HydrophobicContact CG1-CD 4.2Å; I42-K61 HydrophobicContact CG1-CG 4.37Å; K61-Y63 HydrophobicContact CB-CE2 4.11Å; K61-Y63 HydrophobicContact CD-CE2 4.31Å; K61-E86 HydrophobicContact CB-CB 4.26Å; K61-E86 WeakPolarHBondContact CE-OE1 3.34Å; K61-E86 PolarHBondContact N-O 3.2Å; K61-E86 VanDerWaalsContact NZ-CD 3.26Å; K61-E86 IonicContact NZ-OE1 2.89Å; K61-E86 PolarHBondContact NZ-OE1 3.09Å; K61-E86 IonicContact NZ-OE2 3.71Å; K61-E86 PolarHBondContact NZ-OE2 3.33Å; K61-E86 PolarHBondContact O-N 2.92Å
62I86.1Confident80.1Confident1 Ų138.9 Ų38.91%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-117.6128.2168.9-64.8156.4000109.2V40 E41 L43 R83 V84 E85V40-I62 CarbonylContact C-O 3.51Å; V40-I62 WeakPolarHBondContact CA-O 3.41Å; E41-I62 HydrophobicContact CB-CB 4.18Å; E41-I62 PolarHBondContact N-O 3.38Å; E41-I62 PolarHBondContact O-N 2.97Å; E41-I62 VanDerWaalsContact OE2-CD1 3.26Å; E41-I62 WeakPolarHBondContact OE2-CD1 3.49Å; L43-I62 HydrophobicContact CD1-CD1 3.4Å; L43-I62 VanDerWaalsContact CD1-CD1 3.4Å; L43-I62 HydrophobicContact CD1-CG1 4.14Å; L43-I62 HydrophobicContact CG-CD1 4.03Å; I62-R83 VanDerWaalsContact CD1-CZ 3.43Å; I62-R83 HydrophobicContact CG2-CG 3.66Å; I62-V84 CarbonylContact C-O 3.6Å; I62-V84 WeakPolarHBondContact CA-O 3.25Å; I62-E85 HydrophobicContact CG1-CG 4.28Å
63Y82.4Confident79.2Confident49 Ų4937.2 Ų37.219%0.19221%0.212CC..EExtended strand (participates in β ladder)trans-101.1120171.6-71.4-99.4000109.6V40 K61 V65 V84 E86 Y99V40-Y63 HydrophobicContact CB-CE1 4.39Å; V40-Y63 HydrophobicContact CG1-CD1 4.44Å; V40-Y63 HydrophobicContact CG1-CE1 4.07Å; V40-Y63 HydrophobicContact CG1-CE2 4.17Å; V40-Y63 HydrophobicContact CG2-CD1 3.7Å; V40-Y63 HydrophobicContact CG2-CE1 3.42Å; V40-Y63 VanDerWaalsContact CG2-CE1 3.42Å; K61-Y63 HydrophobicContact CB-CE2 4.11Å; K61-Y63 HydrophobicContact CD-CE2 4.31Å; Y63-V65 PolarHBondContact O-N 3.32Å; Y63-V84 PolarHBondContact N-O 3.5Å; Y63-V84 PolarHBondContact O-N 3.17Å; Y63-E86 HydrophobicContact CD2-CB 4.17Å; Y63-E86 HydrophobicContact CE2-CB 3.83Å; Y63-E86 HydrophobicContact CE2-CG 4.37Å; Y63-E86 WeakPolarHBondContact CE2-OE2 3.32Å; Y63-E86 PolarHBondContact OH-OE2 2.85Å; Y63-Y99 HydrophobicContact CE2-CE1 4.35Å
64H77.4Confident78.5Confident49 Ų4938.9 Ų38.923%0.22720%0.201CC..EExtended strand (participates in β ladder)trans-87.885.2171.6-65.7-93.2000109.1G39 G66G39-H64 PolarHBondContact O-N 3.27Å; H64-G66 PolarHBondContact O-N 3.42Å
65V70.1Confident77.4Confident19 Ų1943.2 Ų43.212%0.11522%0.216CC..  trans-84.89-172.9-59.60000113.7Y63 S67 H68 L69 L82 V84Y63-V65 PolarHBondContact O-N 3.32Å; V65-S67 PolarHBondContact O-N 3.27Å; V65-H68 PolarHBondContact O-N 2.64Å; V65-L69 HydrophobicContact CB-CD1 4.41Å; V65-L69 HydrophobicContact CB-CG 4.12Å; V65-L69 HydrophobicContact CG2-CD1 3.61Å; V65-L69 HydrophobicContact CG2-CD2 4.4Å; V65-L69 HydrophobicContact CG2-CG 3.86Å; V65-L69 PolarHBondContact O-N 2.89Å; V65-L82 WeakPolarHBondContact CG2-O 3.47Å; V65-L82 PolarHBondContact N-O 3.18Å; V65-V84 HydrophobicContact CG1-CG2 4.2Å; V65-V84 HydrophobicContact CG2-CG2 3.87Å
66G61.8Low76.2Confident14 Ų1437.9 Ų37.914%0.14419%0.194CC..THydrogen-bonded Turntrans-58.2-45.2-168.500000114.7H64 R74H64-G66 PolarHBondContact O-N 3.42Å; G66-R74 WeakPolarHBondContact O-CD 3.05Å; G66-R74 PolarHBondContact O-NE 2.91Å; G66-R74 PolarHBondContact O-NH1 3.03Å; G66-R74 PolarHBondContact O-NH2 3.21Å
67S60.6Low74.8Confident48 Ų4837.8 Ų37.834%0.33619%0.189SC..THydrogen-bonded Turntrans-72.4-27.9173.6450000113.6S38 V65 R74S38-S67 WeakPolarHBondContact CB-OG 3.42Å; S38-S67 PolarHBondContact OG-OG 3.45Å; V65-S67 PolarHBondContact O-N 3.27Å; S67-R74 VanDerWaalsContact C-NH2 3.35Å; S67-R74 PolarHBondContact O-NH2 2.99Å
68H65.1Low73.4Confident46 Ų4637.9 Ų37.921%0.21319%0.192CC..THydrogen-bonded Turntrans-93.3-22.4-167.4-62.9-72.3000114.8S38 V65 S387 F388S38-H68 PolarHBondContact OG-NE2 3.19Å; V65-H68 PolarHBondContact O-N 2.64Å; H68-S387 PolarHBondContact ND1-O 2.85Å; H68-S387 PolarHBondContact O-OG 3.37Å; H68-F388 HydrophobicContact CB-CD2 4.22Å; H68-F388 HydrophobicContact CB-CE2 4.38Å
69L65.5Low71.7Confident19 Ų1941.3 Ų41.310%0.09922%0.22CC..SBendtrans-72.2131.4175.9-69.5170.6000110.8V65 L73 R74 L77 L82V65-L69 HydrophobicContact CB-CD1 4.41Å; V65-L69 HydrophobicContact CB-CG 4.12Å; V65-L69 HydrophobicContact CG2-CD1 3.61Å; V65-L69 HydrophobicContact CG2-CD2 4.4Å; V65-L69 HydrophobicContact CG2-CG 3.86Å; V65-L69 PolarHBondContact O-N 2.89Å; L69-L73 HydrophobicContact CD2-CD2 3.82Å; L69-L73 HydrophobicContact CD2-CG 4.41Å; L69-R74 HydrophobicContact CB-CB 4.43Å; L69-R74 PolarHBondContact O-NE 2.89Å; L69-R74 VanDerWaalsContact O-NE 3.15Å; L69-R74 PolarHBondContact O-NH2 3.33Å; L69-L77 HydrophobicContact CD1-CD1 3.93Å; L69-L82 HydrophobicContact CD1-CD2 3.78Å
70P65.3Low70Confident16 Ų1641.6 Ų41.610%0.10422%0.223CC..  trans-53.7143.5175.5-2835.5000112.1W72 L73 R74 F239P70-W72 PolarHBondContact O-N 3.04Å; P70-L73 WeakPolarHBondContact O-CA 3.28Å; P70-L73 PolarHBondContact O-N 3.07Å; P70-R74 PolarHBondContact O-N 3.47Å; P70-F239 HydrophobicContact CG-CE2 3.98Å; P70-F239 HydrophobicContact CG-CZ 3.6Å
71T65.5Low68.5Low57 Ų5739.9 Ų39.935%0.3522%0.216SC..Hα-helixtrans-53-35.8-171.6-57.30000113.3L73 N75 D384T71-L73 PolarHBondContact O-N 2.92Å; T71-N75 WeakPolarHBondContact O-CB 3.35Å; T71-N75 PolarHBondContact O-N 3.04Å; T71-N75 VanDerWaalsContact O-N 3.1Å; T71-N75 PolarHBondContact O-ND2 2.65Å; T71-D384 VanDerWaalsContact CB-OD2 3.31Å; T71-D384 WeakPolarHBondContact CB-OD2 3.38Å; T71-D384 PolarHBondContact OG1-OD2 3.36Å
72W74.2Confident67.4Low78 Ų7841 Ų4130%0.29522%0.223SC..Hα-helixtrans-66.6-32.2175.875.5-90.8000114.2P70 I76 R235 V236 F239P70-W72 PolarHBondContact O-N 3.04Å; W72-I76 HydrophobicContact CE3-CD1 3.6Å; W72-I76 HydrophobicContact CZ3-CD1 3.71Å; W72-I76 WeakPolarHBondContact O-CD1 3.32Å; W72-I76 WeakPolarHBondContact O-CG1 3.48Å; W72-R235 HydrophobicContact CH2-CG 4Å; W72-R235 HydrophobicContact CZ3-CG 4.34Å; W72-V236 HydrophobicContact CH2-CG2 3.86Å; W72-V236 HydrophobicContact CZ3-CG2 3.97Å; W72-F239 HydrophobicContact CH2-CB 4.39Å; W72-F239 HydrophobicContact CZ2-CB 4.18Å; W72-F239 HydrophobicContact CZ2-CD1 4.46Å; W72-F239 HydrophobicContact CZ2-CD2 4.06Å; W72-F239 AromaticContact CZ2-CG 3.95Å; W72-F239 HydrophobicContact CZ2-CG 3.95Å
73L68.4Low67Low5 Ų545.3 Ų45.33%0.02624%0.239CC..Hα-helixtrans-85.2-38.5179.2-179.556.5000111.2L69 P70 T71 N75 I76 L77 V236 F239L69-L73 HydrophobicContact CD2-CD2 3.82Å; L69-L73 HydrophobicContact CD2-CG 4.41Å; P70-L73 WeakPolarHBondContact O-CA 3.28Å; P70-L73 PolarHBondContact O-N 3.07Å; T71-L73 PolarHBondContact O-N 2.92Å; L73-N75 PolarHBondContact O-N 3.12Å; L73-I76 PolarHBondContact O-N 2.73Å; L73-L77 HydrophobicContact CD1-CD1 4.1Å; L73-L77 HydrophobicContact CD1-CG 4.24Å; L73-L77 HydrophobicContact CG-CD1 4.16Å; L73-L77 PolarHBondContact O-N 3.4Å; L73-L77 VanDerWaalsContact O-N 3.13Å; L73-V236 HydrophobicContact CD1-CG1 4.25Å; L73-V236 HydrophobicContact CD1-CG2 3.92Å; L73-F239 HydrophobicContact CD2-CD1 3.87Å; L73-F239 HydrophobicContact CD2-CE1 3.68Å
74R73.1Confident67Low87 Ų8744.2 Ų44.233%0.32824%0.237SC..Hα-helixtrans-56.9-30.7170-160.2-174.4-51.7-167.8-1112.3G66 S67 L69 P70 L82G66-R74 WeakPolarHBondContact O-CD 3.05Å; G66-R74 PolarHBondContact O-NE 2.91Å; G66-R74 PolarHBondContact O-NH1 3.03Å; G66-R74 PolarHBondContact O-NH2 3.21Å; S67-R74 VanDerWaalsContact C-NH2 3.35Å; S67-R74 PolarHBondContact O-NH2 2.99Å; L69-R74 HydrophobicContact CB-CB 4.43Å; L69-R74 PolarHBondContact O-NE 2.89Å; L69-R74 VanDerWaalsContact O-NE 3.15Å; L69-R74 PolarHBondContact O-NH2 3.33Å; P70-R74 PolarHBondContact O-N 3.47Å; R74-L82 HydrophobicContact CG-CD2 4.14Å
75N69.1Low67.6Low128 Ų12843.2 Ų43.268%0.68423%0.233SC*.THydrogen-bonded Turntrans-82.7-6.9175.1-71.5-24.1000114.9T71 L73T71-N75 WeakPolarHBondContact O-CB 3.35Å; T71-N75 PolarHBondContact O-N 3.04Å; T71-N75 VanDerWaalsContact O-N 3.1Å; T71-N75 PolarHBondContact O-ND2 2.65Å; L73-N75 PolarHBondContact O-N 3.12Å
76I66.3Low68.6Low26 Ų2642.6 Ų42.613%0.13323%0.228CC..THydrogen-bonded Turntrans-99.7-36.2176.1-69161.7000111.2W72 L73 Y229 T232W72-I76 HydrophobicContact CE3-CD1 3.6Å; W72-I76 HydrophobicContact CZ3-CD1 3.71Å; W72-I76 WeakPolarHBondContact O-CD1 3.32Å; W72-I76 WeakPolarHBondContact O-CG1 3.48Å; L73-I76 PolarHBondContact O-N 2.73Å; I76-Y229 HydrophobicContact CG2-CD2 4.29Å; I76-Y229 HydrophobicContact CG2-CE1 4.29Å; I76-Y229 HydrophobicContact CG2-CE2 3.84Å; I76-Y229 PolarHBondContact O-OH 2.85Å; I76-Y229 VanDerWaalsContact O-OH 3.08Å; I76-T232 HydrophobicContact CD1-CG2 3.87Å
77L63.5Low70.1Confident16 Ų1643.6 Ų43.68%0.08423%0.229CC..SBendtrans-86140.1-180-66.1175.7000110.7L69 L73 A81 F227L69-L77 HydrophobicContact CD1-CD1 3.93Å; L73-L77 HydrophobicContact CD1-CD1 4.1Å; L73-L77 HydrophobicContact CD1-CG 4.24Å; L73-L77 HydrophobicContact CG-CD1 4.16Å; L73-L77 PolarHBondContact O-N 3.4Å; L73-L77 VanDerWaalsContact O-N 3.13Å; L77-A81 HydrophobicContact CB-CB 4.03Å; L77-A81 HydrophobicContact CD2-CB 4.34Å; L77-F227 HydrophobicContact CD2-CE2 4.02Å; L77-F227 HydrophobicContact CD2-CZ 4.04Å
78P60.7Low71.8Confident29 Ų2941.8 Ų41.819%0.18822%0.218CC..  trans-65.6159.7171.329-34.9000110.9S80 A81 V104P78-S80 PolarHBondContact O-N 3.49Å; P78-A81 HydrophobicContact CG-CB 3.77Å; P78-A81 WeakPolarHBondContact O-CA 3.25Å; P78-A81 WeakPolarHBondContact O-CB 3.42Å; P78-A81 PolarHBondContact O-N 3.36Å; P78-V104 HydrophobicContact CG-CG2 4.15Å
79S57.5Low73.2Confident104 Ų10441.5 Ų41.573%0.72722%0.215SC*.G310 helixtrans-58.6-29.617847.50000113.5A81 L82S79-A81 PolarHBondContact O-N 2.74Å; S79-L82 WeakPolarHBondContact O-CB 3.49Å; S79-L82 WeakPolarHBondContact O-CG 3.25Å; S79-L82 PolarHBondContact O-N 3.26Å
80S55.5Low74.6Confident31 Ų3142.4 Ų42.422%0.21722%0.219CC..G310 helixtrans-69.2-16.7172.356.20000114.5P78 L82P78-S80 PolarHBondContact O-N 3.49Å; S80-L82 VanDerWaalsContact C-N 3.35Å
81A60.8Low76Confident1 Ų142.3 Ų42.31%0.00822%0.22CC..G310 helixtrans-91.87.2174.700000113.5L77 P78 S79 V101 V104L77-A81 HydrophobicContact CB-CB 4.03Å; L77-A81 HydrophobicContact CD2-CB 4.34Å; P78-A81 HydrophobicContact CG-CB 3.77Å; P78-A81 WeakPolarHBondContact O-CA 3.25Å; P78-A81 WeakPolarHBondContact O-CB 3.42Å; P78-A81 PolarHBondContact O-N 3.36Å; S79-A81 PolarHBondContact O-N 2.74Å; A81-V101 HydrophobicContact CB-CG1 3.55Å; A81-V104 HydrophobicContact CB-CG2 4.1Å
82L66.9Low77.2Confident39 Ų3941 Ų4120%0.20421%0.209CC..G310 helixtrans-82.50.1168.8-51.8179.5000112.4V65 L69 R74 S79 S80V65-L82 WeakPolarHBondContact CG2-O 3.47Å; V65-L82 PolarHBondContact N-O 3.18Å; L69-L82 HydrophobicContact CD1-CD2 3.78Å; R74-L82 HydrophobicContact CG-CD2 4.14Å; S79-L82 WeakPolarHBondContact O-CB 3.49Å; S79-L82 WeakPolarHBondContact O-CG 3.25Å; S79-L82 PolarHBondContact O-N 3.26Å; S80-L82 VanDerWaalsContact C-N 3.35Å
83R76.8Confident78.2Confident91 Ų9140.2 Ų40.234%0.34321%0.214SC..EExtended strand (participates in β ladder)trans-102.2117.1168176.3-177.1167.6124.8-11.2108.3I62 E85I62-R83 VanDerWaalsContact CD1-CZ 3.43Å; I62-R83 HydrophobicContact CG2-CG 3.66Å; R83-E85 IonicContact CZ-OE1 2.74Å; R83-E85 IonicContact NE-OE1 3.52Å; R83-E85 PolarHBondContact NE-OE1 3.03Å; R83-E85 IonicContact NH2-OE1 3.55Å; R83-E85 PolarHBondContact NH2-OE1 2.93Å
84V83.2Confident79.5Confident26 Ų2640.9 Ų40.916%0.15822%0.217CC..EExtended strand (participates in β ladder)trans-111.1131.2171.7-179.40000108.4I62 Y63 V65 Y99 V101I62-V84 CarbonylContact C-O 3.6Å; I62-V84 WeakPolarHBondContact CA-O 3.25Å; Y63-V84 PolarHBondContact N-O 3.5Å; Y63-V84 PolarHBondContact O-N 3.17Å; V65-V84 HydrophobicContact CG1-CG2 4.2Å; V65-V84 HydrophobicContact CG2-CG2 3.87Å; V84-Y99 HydrophobicContact CG1-CD1 4.15Å; V84-V101 HydrophobicContact CG2-CG2 4.28Å
85E88.9Confident80.6Confident27 Ų2737.1 Ų37.113%0.12620%0.203CC..EExtended strand (participates in β ladder)trans-102.6123-179.8-63.3-17716200109.2F60 I62 R83 Y99 K100 P102F60-E85 HydrophobicContact CE2-CB 4.01Å; F60-E85 HydrophobicContact CZ-CB 4.26Å; F60-E85 HydrophobicContact CZ-CG 4.4Å; I62-E85 HydrophobicContact CG1-CG 4.28Å; R83-E85 IonicContact CZ-OE1 2.74Å; R83-E85 IonicContact NE-OE1 3.52Å; R83-E85 PolarHBondContact NE-OE1 3.03Å; R83-E85 IonicContact NH2-OE1 3.55Å; R83-E85 PolarHBondContact NH2-OE1 2.93Å; E85-Y99 CarbonylContact O-C 3.48Å; E85-Y99 VanDerWaalsContact O-CA 3.28Å; E85-Y99 WeakPolarHBondContact O-CA 3.5Å; E85-K100 PolarHBondContact N-O 3.43Å; E85-K100 PolarHBondContact O-N 3.12Å; E85-P102 HydrophobicContact CG-CG 4.18Å
86E92.4Very high81.8Confident6 Ų634 Ų343%0.02818%0.182CC..EExtended strand (participates in β ladder)trans-102.5119.4176.7-175.6-152.392.300109.5F60 K61 Y63 T97 Y99F60-E86 CarbonylContact C-O 3.53Å; F60-E86 WeakPolarHBondContact CA-O 3.33Å; F60-E86 WeakPolarHBondContact CD2-O 3.36Å; K61-E86 HydrophobicContact CB-CB 4.26Å; K61-E86 WeakPolarHBondContact CE-OE1 3.34Å; K61-E86 PolarHBondContact N-O 3.2Å; K61-E86 VanDerWaalsContact NZ-CD 3.26Å; K61-E86 IonicContact NZ-OE1 2.89Å; K61-E86 PolarHBondContact NZ-OE1 3.09Å; K61-E86 IonicContact NZ-OE2 3.71Å; K61-E86 PolarHBondContact NZ-OE2 3.33Å; K61-E86 PolarHBondContact O-N 2.92Å; Y63-E86 HydrophobicContact CD2-CB 4.17Å; Y63-E86 HydrophobicContact CE2-CB 3.83Å; Y63-E86 HydrophobicContact CE2-CG 4.37Å; Y63-E86 WeakPolarHBondContact CE2-OE2 3.32Å; Y63-E86 PolarHBondContact OH-OE2 2.85Å; E86-T97 HydrophobicContact CG-CG2 3.42Å; E86-T97 VanDerWaalsContact CG-CG2 3.42Å; E86-Y99 HydrophobicContact CB-CD1 3.96Å; E86-Y99 HydrophobicContact CB-CE1 4.01Å; E86-Y99 HydrophobicContact CG-CD1 4.03Å; E86-Y99 HydrophobicContact CG-CE1 3.72Å
87E93.9Very high83.2Confident35 Ų3533.9 Ų33.916%0.16418%0.182CC..EExtended strand (participates in β ladder)trans-105.8119.2164.2-67.7170.5-134.800108.5Y58 F60 W89 T97 I98 K100Y58-E87 HydrophobicContact CE2-CB 4.16Å; Y58-E87 WeakPolarHBondContact OH-CG 3.35Å; F60-E87 HydrophobicContact CD2-CG 3.57Å; F60-E87 HydrophobicContact CE2-CG 3.77Å; E87-W89 HydrophobicContact CB-CH2 3.53Å; E87-W89 HydrophobicContact CB-CZ2 4.23Å; E87-W89 HydrophobicContact CB-CZ3 3.77Å; E87-W89 HydrophobicContact CG-CH2 4.4Å; E87-W89 WeakPolarHBondContact O-CZ3 3.45Å; E87-W89 VanDerWaalsContact OE2-CH2 3.28Å; E87-W89 WeakPolarHBondContact OE2-CH2 3.34Å; E87-T97 CarbonylContact O-C 3.58Å; E87-T97 WeakPolarHBondContact O-CA 3.38Å; E87-I98 PolarHBondContact N-O 2.98Å; E87-I98 PolarHBondContact O-N 2.91Å; E87-K100 WeakPolarHBondContact OE1-CE 3.31Å; E87-K100 IonicContact OE1-NZ 2.75Å; E87-K100 PolarHBondContact OE1-NZ 3.46Å; E87-K100 IonicContact OE2-NZ 2.74Å; E87-K100 PolarHBondContact OE2-NZ 3.38Å
88A94.4Very high84.6Confident11 Ų1134.3 Ų34.39%0.09118%0.184CC..EExtended strand (participates in β ladder)trans-125.2132.8179.400000112.5Y58 T59 R96 T97Y58-A88 CarbonylContact C-O 3.55Å; Y58-A88 VanDerWaalsContact CA-O 3.29Å; Y58-A88 WeakPolarHBondContact CA-O 3.36Å; Y58-A88 VanDerWaalsContact CD2-O 3.32Å; Y58-A88 WeakPolarHBondContact CD2-O 3.43Å; T59-A88 PolarHBondContact N-O 3.44Å; T59-A88 PolarHBondContact O-N 2.9Å; A88-R96 CarbonylContact C-O 3.44Å; A88-R96 WeakPolarHBondContact CA-O 3.23Å; A88-T97 HydrophobicContact CB-CG2 3.97Å
89W96.2Very high86.1Confident40 Ų4036.1 Ų36.115%0.15219%0.188CC..EExtended strand (participates in β ladder)trans-115.2112.7173.9-61.8-91.4000109Y48 P52 Y58 E87 T95 R96 I98Y48-W89 HydrophobicContact CE1-CB 4.08Å; Y48-W89 HydrophobicContact CE1-CG 4.47Å; Y48-W89 AromaticContact CZ-CD1 3.96Å; P52-W89 HydrophobicContact CB-CB 4.28Å; P52-W89 HydrophobicContact CB-CG 4.48Å; P52-W89 HydrophobicContact CG-CB 4.33Å; P52-W89 HydrophobicContact CG-CD2 3.96Å; P52-W89 HydrophobicContact CG-CE3 4.25Å; P52-W89 HydrophobicContact CG-CG 4.01Å; Y58-W89 AromaticContact CD2-CD1 3.62Å; Y58-W89 HydrophobicContact CD2-CD2 4.14Å; Y58-W89 AromaticContact CD2-CE2 3.7Å; Y58-W89 HydrophobicContact CD2-CG 4.11Å; Y58-W89 HydrophobicContact CD2-CZ2 4.28Å; Y58-W89 AromaticContact CD2-NE1 3.34Å; Y58-W89 VanDerWaalsContact CD2-NE1 3.34Å; Y58-W89 HydrophobicContact CE2-CD2 4.29Å; Y58-W89 AromaticContact CE2-CE2 3.62Å; Y58-W89 HydrophobicContact CE2-CH2 4.43Å; Y58-W89 AromaticContact CE2-CZ2 3.72Å; Y58-W89 HydrophobicContact CE2-CZ2 3.72Å; Y58-W89 AromaticContact CE2-NE1 3.67Å; E87-W89 HydrophobicContact CB-CH2 3.53Å; E87-W89 HydrophobicContact CB-CZ2 4.23Å; E87-W89 HydrophobicContact CB-CZ3 3.77Å; E87-W89 HydrophobicContact CG-CH2 4.4Å; E87-W89 WeakPolarHBondContact O-CZ3 3.45Å; E87-W89 VanDerWaalsContact OE2-CH2 3.28Å; E87-W89 WeakPolarHBondContact OE2-CH2 3.34Å; W89-T95 CarbonylContact O-C 3.55Å; W89-T95 WeakPolarHBondContact O-CA 3.45Å; W89-R96 HydrophobicContact CE3-CB 4.49Å; W89-R96 PolarHBondContact N-O 3.2Å; W89-R96 PolarHBondContact O-N 3.22Å; W89-I98 HydrophobicContact CH2-CD1 4.22Å; W89-I98 HydrophobicContact CZ3-CB 4.46Å; W89-I98 HydrophobicContact CZ3-CD1 3.8Å; W89-I98 HydrophobicContact CZ3-CG1 3.96Å
90N93.9Very high87.5Confident37 Ų3734.4 Ų34.420%0.19817%0.167CC..EExtended strand (participates in β ladder)trans-109.796.1-177.8-177.6-10.2000110.4G56 Q57 Y92 T95G56-N90 CarbonylContact C-O 3.55Å; G56-N90 WeakPolarHBondContact CA-O 3.35Å; Q57-N90 PolarHBondContact N-O 3.23Å; Q57-N90 PolarHBondContact O-N 3.46Å; N90-Y92 WeakPolarHBondContact OD1-CB 3.19Å; N90-Y92 PolarHBondContact OD1-N 2.86Å; N90-T95 HydrophobicContact CB-CG2 4.17Å; N90-T95 WeakPolarHBondContact OD1-CG2 3.24Å
91A94.2Very high88.6Confident15 Ų1533.3 Ų33.312%0.12416%0.159CC..EExtended strand (participates in β ladder)trans-110.854.8171.500000109.5Y48 K55 Y94Y48-A91 WeakPolarHBondContact OH-CB 3.4Å; K55-A91 WeakPolarHBondContact O-CB 3.39Å; A91-Y94 CarbonylContact C-O 3.49Å; A91-Y94 WeakPolarHBondContact CA-O 3.32Å; A91-Y94 PolarHBondContact N-O 3.25Å; A91-Y94 PolarHBondContact O-N 2.75Å; A91-Y94 VanDerWaalsContact O-O 3.13Å
92Y91.9Very high88.7Confident29 Ų2936.1 Ų36.111%0.11418%0.177CC..THydrogen-bonded Turntrans-46.2124.3-173.5-161.3-84.8000112.4V14 Y17 R18 N90 Y94 F115V14-Y92 HydrophobicContact CG1-CE1 3.56Å; V14-Y92 WeakPolarHBondContact O-CE1 3.46Å; V14-Y92 PolarHBondContact O-OH 3.12Å; Y17-Y92 HydrophobicContact CD1-CE2 4.37Å; R18-Y92 HydrophobicContact CB-CD1 3.94Å; R18-Y92 HydrophobicContact CB-CE1 3.56Å; R18-Y92 HydrophobicContact CB-CE2 4.18Å; R18-Y92 HydrophobicContact CB-CG 4.39Å; R18-Y92 HydrophobicContact CG-CD1 3.7Å; R18-Y92 HydrophobicContact CG-CD2 4.2Å; R18-Y92 HydrophobicContact CG-CE1 3.88Å; R18-Y92 HydrophobicContact CG-CE2 4.37Å; R18-Y92 HydrophobicContact CG-CG 3.86Å; R18-Y92 PolarHBondContact N-OH 2.66Å; N90-Y92 WeakPolarHBondContact OD1-CB 3.19Å; N90-Y92 PolarHBondContact OD1-N 2.86Å; Y92-Y94 PolarHBondContact N-O 2.8Å; Y92-F115 AromaticContact CD2-CD2 3.72Å; Y92-F115 HydrophobicContact CD2-CD2 3.72Å; Y92-F115 AromaticContact CD2-CE2 3.71Å; Y92-F115 HydrophobicContact CD2-CE2 3.71Å; Y92-F115 HydrophobicContact CE2-CB 4.43Å; Y92-F115 HydrophobicContact CE2-CD1 4.47Å; Y92-F115 AromaticContact CE2-CD2 3.22Å; Y92-F115 HydrophobicContact CE2-CD2 3.22Å; Y92-F115 AromaticContact CE2-CE2 3.34Å; Y92-F115 HydrophobicContact CE2-CE2 3.34Å; Y92-F115 AromaticContact CE2-CG 3.82Å; Y92-F115 HydrophobicContact CE2-CG 3.82Å; Y92-F115 HydrophobicContact CE2-CZ 4.02Å; Y92-F115 AromaticContact CZ-CD2 3.74Å; Y92-F115 AromaticContact CZ-CG 3.94Å
93P94.3Very high88.3Confident62 Ų6240.2 Ų40.240%0.40319%0.194SC..THydrogen-bonded Turncis-90.117.422.636.1-38.1000117.1V14 Y114 F115V14-P93 HydrophobicContact CG1-CB 4.27Å; P93-Y114 WeakPolarHBondContact O-CA 3.39Å; P93-F115 HydrophobicContact CB-CB 4.19Å; P93-F115 WeakPolarHBondContact O-CD2 3.48Å; P93-F115 PolarHBondContact O-N 2.96Å
94Y95.9Very high87.3Confident19 Ų1936.8 Ų36.88%0.07518%0.183CC..EExtended strand (participates in β ladder)trans-109.7139.7166.5172.9-92.5000111.7P52 A91 Y92 R96 E112 T113 Y114P52-Y94 VanDerWaalsContact C-CE1 3.44Å; P52-Y94 HydrophobicContact CB-CE1 3.77Å; P52-Y94 WeakPolarHBondContact O-CE1 3.14Å; A91-Y94 CarbonylContact C-O 3.49Å; A91-Y94 WeakPolarHBondContact CA-O 3.32Å; A91-Y94 PolarHBondContact N-O 3.25Å; A91-Y94 PolarHBondContact O-N 2.75Å; A91-Y94 VanDerWaalsContact O-O 3.13Å; Y92-Y94 PolarHBondContact N-O 2.8Å; Y94-R96 HydrophobicContact CE1-CB 3.98Å; Y94-E112 HydrophobicContact CE2-CB 4.48Å; Y94-E112 PolarHBondContact OH-OE1 3.39Å; Y94-T113 WeakPolarHBondContact CA-O 3.47Å; Y94-T113 WeakPolarHBondContact CD2-O 3.33Å; Y94-Y114 HydrophobicContact CD2-CD1 4.01Å; Y94-Y114 HydrophobicContact CD2-CD2 4.27Å; Y94-Y114 AromaticContact CD2-CE1 3.58Å; Y94-Y114 HydrophobicContact CD2-CE1 3.58Å; Y94-Y114 AromaticContact CD2-CE2 3.86Å; Y94-Y114 HydrophobicContact CD2-CE2 3.86Å; Y94-Y114 HydrophobicContact CD2-CG 4.34Å; Y94-Y114 AromaticContact CD2-CZ 3.5Å; Y94-Y114 HydrophobicContact CE2-CE2 4.13Å; Y94-Y114 HydrophobicContact CG-CE1 4.19Å
95T95.4Very high86.1Confident8 Ų844.7 Ų44.75%0.04922%0.218CC..EExtended strand (participates in β ladder)trans-138.6138.9168.4680000111.3W89 N90 E112 T113 F115W89-T95 CarbonylContact O-C 3.55Å; W89-T95 WeakPolarHBondContact O-CA 3.45Å; N90-T95 HydrophobicContact CB-CG2 4.17Å; N90-T95 WeakPolarHBondContact OD1-CG2 3.24Å; T95-E112 CarbonylContact O-C 3.48Å; T95-T113 PolarHBondContact N-O 3.07Å; T95-T113 PolarHBondContact O-N 3.05Å; T95-T113 WeakPolarHBondContact OG1-CB 3.45Å; T95-F115 HydrophobicContact CG2-CE2 4.01Å
96R96.3Very high85.1Confident62 Ų6247 Ų4723%0.23423%0.228CC..EExtended strand (participates in β ladder)trans-121.1135168.4-173.4167.8-166.2164.1-12.3110.8P52 A88 W89 Y94 I98 D110 V111 E112P52-R96 HydrophobicContact CB-CB 4.2Å; A88-R96 CarbonylContact C-O 3.44Å; A88-R96 WeakPolarHBondContact CA-O 3.23Å; W89-R96 HydrophobicContact CE3-CB 4.49Å; W89-R96 PolarHBondContact N-O 3.2Å; W89-R96 PolarHBondContact O-N 3.22Å; Y94-R96 HydrophobicContact CE1-CB 3.98Å; R96-I98 HydrophobicContact CG-CG1 4.3Å; R96-D110 IonicContact CZ-OD1 3.15Å; R96-D110 IonicContact CZ-OD2 3.09Å; R96-D110 IonicContact NE-OD1 3.29Å; R96-D110 PolarHBondContact NE-OD1 3.35Å; R96-D110 IonicContact NE-OD2 3.59Å; R96-D110 IonicContact NH2-OD1 2.74Å; R96-D110 IonicContact NH2-OD2 2.8Å; R96-D110 PolarHBondContact NH2-OD2 3.42Å; R96-V111 CarbonylContact C-O 3.58Å; R96-V111 WeakPolarHBondContact CA-O 3.43Å; R96-E112 HydrophobicContact CB-CG 4.28Å; R96-E112 HydrophobicContact CG-CG 3.76Å; R96-E112 IonicContact CZ-OE1 3.03Å; R96-E112 IonicContact NE-OE1 3.25Å; R96-E112 IonicContact NH1-OE1 2.85Å; R96-E112 PolarHBondContact NH1-OE1 3Å
97T94.6Very high84.5Confident23 Ų2348 Ų4814%0.14123%0.233CC..EExtended strand (participates in β ladder)trans-132.7120.6176.7-54.20000109.9E86 E87 A88 Y99 V111E86-T97 HydrophobicContact CG-CG2 3.42Å; E86-T97 VanDerWaalsContact CG-CG2 3.42Å; E87-T97 CarbonylContact O-C 3.58Å; E87-T97 WeakPolarHBondContact O-CA 3.38Å; A88-T97 HydrophobicContact CB-CG2 3.97Å; T97-Y99 HydrophobicContact CG2-CD2 4.02Å; T97-Y99 HydrophobicContact CG2-CE1 4.41Å; T97-Y99 HydrophobicContact CG2-CE2 3.42Å; T97-Y99 VanDerWaalsContact CG2-CE2 3.42Å; T97-V111 PolarHBondContact N-O 3.01Å; T97-V111 PolarHBondContact O-N 3.06Å
98I93.8Very high84.1Confident25 Ų2548.8 Ų48.813%0.12824%0.241CC..EExtended strand (participates in β ladder)trans-112.8117.8178.9-51.7175.9000108.7E87 W89 R96 K100 V108 L109 D110E87-I98 PolarHBondContact N-O 2.98Å; E87-I98 PolarHBondContact O-N 2.91Å; W89-I98 HydrophobicContact CH2-CD1 4.22Å; W89-I98 HydrophobicContact CZ3-CB 4.46Å; W89-I98 HydrophobicContact CZ3-CD1 3.8Å; W89-I98 HydrophobicContact CZ3-CG1 3.96Å; R96-I98 HydrophobicContact CG-CG1 4.3Å; I98-K100 HydrophobicContact CG2-CD 4.4Å; I98-K100 HydrophobicContact CG2-CG 3.91Å; I98-V108 HydrophobicContact CG2-CG1 3.98Å; I98-L109 CarbonylContact C-O 2.96Å; I98-L109 WeakPolarHBondContact CA-O 3.18Å; I98-D110 HydrophobicContact CG1-CB 4.33Å; I98-D110 WeakPolarHBondContact CG1-OD1 3.41Å
99Y91Very high84Confident67 Ų6749.3 Ų49.326%0.26324%0.242SC..EExtended strand (participates in β ladder)trans-97.5126.6172-56.4-100.2000109.4Y63 V84 E85 E86 T97 L109 V111Y63-Y99 HydrophobicContact CE2-CE1 4.35Å; V84-Y99 HydrophobicContact CG1-CD1 4.15Å; E85-Y99 CarbonylContact O-C 3.48Å; E85-Y99 VanDerWaalsContact O-CA 3.28Å; E85-Y99 WeakPolarHBondContact O-CA 3.5Å; E86-Y99 HydrophobicContact CB-CD1 3.96Å; E86-Y99 HydrophobicContact CB-CE1 4.01Å; E86-Y99 HydrophobicContact CG-CD1 4.03Å; E86-Y99 HydrophobicContact CG-CE1 3.72Å; T97-Y99 HydrophobicContact CG2-CD2 4.02Å; T97-Y99 HydrophobicContact CG2-CE1 4.41Å; T97-Y99 HydrophobicContact CG2-CE2 3.42Å; T97-Y99 VanDerWaalsContact CG2-CE2 3.42Å; Y99-L109 HydrophobicContact CD2-CB 4.38Å; Y99-L109 HydrophobicContact CD2-CD2 3.55Å; Y99-L109 HydrophobicContact CD2-CG 3.71Å; Y99-L109 HydrophobicContact CE2-CD2 4.01Å; Y99-L109 HydrophobicContact CE2-CG 4.39Å; Y99-L109 HydrophobicContact CG-CD2 4.04Å; Y99-L109 HydrophobicContact CG-CG 4.4Å; Y99-L109 PolarHBondContact N-O 2.96Å; Y99-L109 PolarHBondContact O-N 2.68Å; Y99-V111 HydrophobicContact CE2-CG2 4.47Å
100K86.7Confident84Confident68 Ų6848.1 Ų48.130%0.29624%0.238SC..EExtended strand (participates in β ladder)trans-126.1155.2-176.9-57.2174.6-168.9166.70110.2E85 E87 I98E85-K100 PolarHBondContact N-O 3.43Å; E85-K100 PolarHBondContact O-N 3.12Å; E87-K100 WeakPolarHBondContact OE1-CE 3.31Å; E87-K100 IonicContact OE1-NZ 2.75Å; E87-K100 PolarHBondContact OE1-NZ 3.46Å; E87-K100 IonicContact OE2-NZ 2.74Å; E87-K100 PolarHBondContact OE2-NZ 3.38Å; I98-K100 HydrophobicContact CG2-CD 4.4Å; I98-K100 HydrophobicContact CG2-CG 3.91Å
101V79.2Confident84.1Confident8 Ų846.9 Ų46.95%0.04823%0.232CC..  trans-113.8108.6168.2177.40000108.4A81 V84 F103 V104 L107A81-V101 HydrophobicContact CB-CG1 3.55Å; V84-V101 HydrophobicContact CG2-CG2 4.28Å; V101-F103 PolarHBondContact O-N 3.04Å; V101-F103 VanDerWaalsContact O-N 3.09Å; V101-V104 HydrophobicContact CB-CB 4.3Å; V101-V104 HydrophobicContact CG1-CB 3.91Å; V101-V104 HydrophobicContact CG1-CG2 4.02Å; V101-V104 CarbonylContact O-C 3.6Å; V101-V104 PolarHBondContact O-N 2.93Å; V101-L107 HydrophobicContact CG2-CB 4.21Å; V101-L107 HydrophobicContact CG2-CD2 3.96Å; V101-L107 HydrophobicContact CG2-CG 4.26Å
102P63.3Low84.2Confident60 Ų6047.2 Ų47.239%0.3923%0.231SC..THydrogen-bonded Turntrans-63.7-24.2-165.223-35.4000114.7E85E85-P102 HydrophobicContact CG-CG 4.18Å
103F57.6Low84.4Confident125 Ų12545.9 Ų45.955%0.54823%0.226SC..THydrogen-bonded Turntrans-92.6-1.5176.5-72.7-82.7000114.2V101 V988V101-F103 PolarHBondContact O-N 3.04Å; V101-F103 VanDerWaalsContact O-N 3.09Å; F103-V988 HydrophobicContact CD1-CG2 4.39Å; F103-V988 HydrophobicContact CE1-CG2 4.3Å
104V55.8Low84.6Confident19 Ų1946.1 Ų46.112%0.11522%0.219CC..  trans-143.391.9-171.5-172.60000110.3P78 A81 V101 K106 L107P78-V104 HydrophobicContact CG-CG2 4.15Å; A81-V104 HydrophobicContact CB-CG2 4.1Å; V101-V104 HydrophobicContact CB-CB 4.3Å; V101-V104 HydrophobicContact CG1-CB 3.91Å; V101-V104 HydrophobicContact CG1-CG2 4.02Å; V101-V104 CarbonylContact O-C 3.6Å; V101-V104 PolarHBondContact O-N 2.93Å; V104-K106 HydrophobicContact CG1-CB 3.69Å; V104-K106 HydrophobicContact CG1-CD 4.42Å; V104-K106 HydrophobicContact CG1-CG 4.16Å; V104-K106 PolarHBondContact O-N 3.21Å; V104-L107 PolarHBondContact O-N 2.88Å
105E58.6Low84.6Confident193 Ų19345.4 Ų45.490%0.90222%0.216SC*.THydrogen-bonded Turntrans-57.55.4169.3-58.7-175.915200114.6
106K66.9Low84.6Confident76 Ų7647.9 Ų47.933%0.3323%0.227SC..THydrogen-bonded Turntrans-105.11.4-176.8-49.9172.8-176.8172.90112.8V104 F227 R228V104-K106 HydrophobicContact CG1-CB 3.69Å; V104-K106 HydrophobicContact CG1-CD 4.42Å; V104-K106 HydrophobicContact CG1-CG 4.16Å; V104-K106 PolarHBondContact O-N 3.21Å; K106-F227 CarbonylContact O-C 3.56Å; K106-F227 WeakPolarHBondContact O-CA 3.43Å; K106-F227 VanDerWaalsContact O-CD2 3.31Å; K106-F227 WeakPolarHBondContact O-CD2 3.34Å; K106-R228 HydrophobicContact CB-CB 4.05Å; K106-R228 HydrophobicContact CG-CB 4.38Å; K106-R228 PolarHBondContact O-N 2.79Å
107L79.8Confident84.4Confident25 Ų2549.3 Ų49.313%0.13124%0.239CC..EExtended strand (participates in β ladder)trans-132.4116.1169.7-178.152.1000111.5V101 V104 E226 F227 I240V101-L107 HydrophobicContact CG2-CB 4.21Å; V101-L107 HydrophobicContact CG2-CD2 3.96Å; V101-L107 HydrophobicContact CG2-CG 4.26Å; V104-L107 PolarHBondContact O-N 2.88Å; L107-E226 WeakPolarHBondContact CA-O 3.33Å; L107-F227 HydrophobicContact CB-CD2 3.8Å; L107-F227 HydrophobicContact CB-CE2 4.11Å; L107-F227 HydrophobicContact CD1-CB 4.32Å; L107-F227 HydrophobicContact CD1-CD2 3.78Å; L107-F227 HydrophobicContact CD1-CG 4.45Å; L107-F227 HydrophobicContact CD2-CD2 4.35Å; L107-F227 HydrophobicContact CD2-CE2 4.38Å; L107-F227 HydrophobicContact CG-CD2 4.16Å; L107-I240 HydrophobicContact CD1-CD1 3.83Å
108V87.2Confident84.3Confident53 Ų5349.2 Ų49.232%0.32124%0.237SC..EExtended strand (participates in β ladder)trans-133.7136.1168.9-178.10000109.1I98 E226I98-V108 HydrophobicContact CG2-CG1 3.98Å; V108-E226 PolarHBondContact N-O 3.18Å; V108-E226 PolarHBondContact O-N 3.06Å
109L91.9Very high84.3Confident22 Ų2248.2 Ų48.212%0.11523%0.233CC..EExtended strand (participates in β ladder)trans-122.2115.4168156.468.9000107.4I98 Y99 V111 R224 V225 I240 L245I98-L109 CarbonylContact C-O 2.96Å; I98-L109 WeakPolarHBondContact CA-O 3.18Å; Y99-L109 HydrophobicContact CD2-CB 4.38Å; Y99-L109 HydrophobicContact CD2-CD2 3.55Å; Y99-L109 HydrophobicContact CD2-CG 3.71Å; Y99-L109 HydrophobicContact CE2-CD2 4.01Å; Y99-L109 HydrophobicContact CE2-CG 4.39Å; Y99-L109 HydrophobicContact CG-CD2 4.04Å; Y99-L109 HydrophobicContact CG-CG 4.4Å; Y99-L109 PolarHBondContact N-O 2.96Å; Y99-L109 PolarHBondContact O-N 2.68Å; L109-V111 HydrophobicContact CD1-CG2 3.59Å; L109-V111 HydrophobicContact CG-CG2 4.02Å; L109-R224 WeakPolarHBondContact CA-O 3.46Å; L109-V225 HydrophobicContact CD1-CG2 3.79Å; L109-I240 HydrophobicContact CD2-CG2 4.48Å; L109-L245 HydrophobicContact CD1-CD1 3.89Å; L109-L245 HydrophobicContact CD1-CD2 4.18Å; L109-L245 HydrophobicContact CD2-CD2 4.05Å
110D94.7Very high84.4Confident14 Ų1445.1 Ų45.18%0.07522%0.222CC..EExtended strand (participates in β ladder)trans-116.5118.4179.6172.431.4000109.1R96 I98 R224R96-D110 IonicContact CZ-OD1 3.15Å; R96-D110 IonicContact CZ-OD2 3.09Å; R96-D110 IonicContact NE-OD1 3.29Å; R96-D110 PolarHBondContact NE-OD1 3.35Å; R96-D110 IonicContact NE-OD2 3.59Å; R96-D110 IonicContact NH2-OD1 2.74Å; R96-D110 IonicContact NH2-OD2 2.8Å; R96-D110 PolarHBondContact NH2-OD2 3.42Å; I98-D110 HydrophobicContact CG1-CB 4.33Å; I98-D110 WeakPolarHBondContact CG1-OD1 3.41Å; D110-R224 HydrophobicContact CB-CB 4.2Å; D110-R224 PolarHBondContact N-O 2.83Å; D110-R224 PolarHBondContact O-N 3.12Å; D110-R224 IonicContact OD2-NH1 2.77Å
111V96.3Very high84.6Confident11 Ų1148.2 Ų48.27%0.06724%0.237CC..EExtended strand (participates in β ladder)trans-116.9105.5-174.8-177.50000108.8R96 T97 Y99 L109 L222R96-V111 CarbonylContact C-O 3.58Å; R96-V111 WeakPolarHBondContact CA-O 3.43Å; T97-V111 PolarHBondContact N-O 3.01Å; T97-V111 PolarHBondContact O-N 3.06Å; Y99-V111 HydrophobicContact CE2-CG2 4.47Å; L109-V111 HydrophobicContact CD1-CG2 3.59Å; L109-V111 HydrophobicContact CG-CG2 4.02Å; V111-L222 WeakPolarHBondContact CA-O 3.44Å
112E96.5Very high85.2Confident22 Ų2252 Ų5210%0.10325%0.254CS..EExtended strand (participates in β ladder)trans-94.1144.1168.5-67.8-172.6120.700109.6Y94 T95 R96 F126 K221 L222 R224Y94-E112 HydrophobicContact CE2-CB 4.48Å; Y94-E112 PolarHBondContact OH-OE1 3.39Å; T95-E112 CarbonylContact O-C 3.48Å; R96-E112 HydrophobicContact CB-CG 4.28Å; R96-E112 HydrophobicContact CG-CG 3.76Å; R96-E112 IonicContact CZ-OE1 3.03Å; R96-E112 IonicContact NE-OE1 3.25Å; R96-E112 IonicContact NH1-OE1 2.85Å; R96-E112 PolarHBondContact NH1-OE1 3Å; E112-F126 HydrophobicContact CB-CD1 3.96Å; E112-F126 HydrophobicContact CB-CE1 3.69Å; E112-K221 CarbonylContact O-C 3.6Å; E112-K221 WeakPolarHBondContact O-CA 3.16Å; E112-L222 PolarHBondContact N-O 2.83Å; E112-L222 PolarHBondContact O-N 3.49Å; E112-R224 IonicContact OE2-CZ 2.76Å; E112-R224 IonicContact OE2-NH1 3.75Å; E112-R224 PolarHBondContact OE2-NH1 2.99Å; E112-R224 IonicContact OE2-NH2 3.85Å
113T97.1Very high86.5Confident1 Ų153.6 Ų53.61%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-139.4136.7178.5-580000111.6Y94 T95 F115 Y220 K221Y94-T113 WeakPolarHBondContact CA-O 3.47Å; Y94-T113 WeakPolarHBondContact CD2-O 3.33Å; T95-T113 PolarHBondContact N-O 3.07Å; T95-T113 PolarHBondContact O-N 3.05Å; T95-T113 WeakPolarHBondContact OG1-CB 3.45Å; T113-F115 HydrophobicContact CG2-CD1 4.01Å; T113-F115 HydrophobicContact CG2-CD2 4.06Å; T113-F115 HydrophobicContact CG2-CE1 3.54Å; T113-F115 HydrophobicContact CG2-CE2 3.59Å; T113-F115 HydrophobicContact CG2-CG 4.28Å; T113-F115 HydrophobicContact CG2-CZ 3.34Å; T113-Y220 WeakPolarHBondContact CA-O 3.43Å; T113-Y220 WeakPolarHBondContact CG2-O 3.36Å; T113-K221 HydrophobicContact CG2-CG 3.93Å; T113-K221 PolarHBondContact OG1-NZ 3.21Å
114Y97.3Very high88.1Confident68 Ų6848.4 Ų48.427%0.26724%0.237SC..EExtended strand (participates in β ladder)trans-115.4148.2160.8-76.3-78.3000110.1P93 Y94 F116 V125 F126 Y220P93-Y114 WeakPolarHBondContact O-CA 3.39Å; Y94-Y114 HydrophobicContact CD2-CD1 4.01Å; Y94-Y114 HydrophobicContact CD2-CD2 4.27Å; Y94-Y114 AromaticContact CD2-CE1 3.58Å; Y94-Y114 HydrophobicContact CD2-CE1 3.58Å; Y94-Y114 AromaticContact CD2-CE2 3.86Å; Y94-Y114 HydrophobicContact CD2-CE2 3.86Å; Y94-Y114 HydrophobicContact CD2-CG 4.34Å; Y94-Y114 AromaticContact CD2-CZ 3.5Å; Y94-Y114 HydrophobicContact CE2-CE2 4.13Å; Y94-Y114 HydrophobicContact CG-CE1 4.19Å; Y114-F116 HydrophobicContact CD1-CE2 4.5Å; Y114-F116 HydrophobicContact CD1-CZ 4.07Å; Y114-F116 HydrophobicContact CG-CE2 4.14Å; Y114-F116 HydrophobicContact CG-CZ 4.16Å; Y114-V125 HydrophobicContact CD2-CG2 4.24Å; Y114-V125 WeakPolarHBondContact CE2-O 3.49Å; Y114-F126 AromaticContact CD2-CD1 3.79Å; Y114-F126 HydrophobicContact CD2-CD1 3.79Å; Y114-F126 AromaticContact CD2-CE1 3.63Å; Y114-F126 HydrophobicContact CD2-CE1 3.63Å; Y114-F126 HydrophobicContact CD2-CG 4.47Å; Y114-F126 HydrophobicContact CD2-CZ 4.19Å; Y114-F126 AromaticContact CE2-CD1 3.86Å; Y114-F126 HydrophobicContact CE2-CD1 3.86Å; Y114-F126 HydrophobicContact CE2-CE1 4.12Å; Y114-Y220 PolarHBondContact N-O 3.46Å; Y114-Y220 VanDerWaalsContact N-O 3.08Å; Y114-Y220 PolarHBondContact O-N 3.02Å
115F96.9Very high89.9Confident3 Ų348.2 Ų48.21%0.01324%0.236CC..EExtended strand (participates in β ladder)trans-120.5123175.6-57.4-77000110.1V14 Y17 Y92 P93 T95 T113 M217 C218 A219V14-F115 HydrophobicContact CG1-CB 4.22Å; V14-F115 HydrophobicContact CG2-CB 4.28Å; Y17-F115 HydrophobicContact CD1-CD1 4.01Å; Y17-F115 AromaticContact CD1-CE1 3.79Å; Y17-F115 HydrophobicContact CD1-CE1 3.79Å; Y17-F115 HydrophobicContact CD1-CZ 4.35Å; Y17-F115 AromaticContact CE1-CD1 3.88Å; Y17-F115 HydrophobicContact CE1-CD1 3.88Å; Y17-F115 AromaticContact CE1-CE1 3.21Å; Y17-F115 HydrophobicContact CE1-CE1 3.21Å; Y17-F115 AromaticContact CE1-CZ 3.73Å; Y17-F115 HydrophobicContact CE1-CZ 3.73Å; Y17-F115 AromaticContact CZ-CE1 3.94Å; Y92-F115 AromaticContact CD2-CD2 3.72Å; Y92-F115 HydrophobicContact CD2-CD2 3.72Å; Y92-F115 AromaticContact CD2-CE2 3.71Å; Y92-F115 HydrophobicContact CD2-CE2 3.71Å; Y92-F115 HydrophobicContact CE2-CB 4.43Å; Y92-F115 HydrophobicContact CE2-CD1 4.47Å; Y92-F115 AromaticContact CE2-CD2 3.22Å; Y92-F115 HydrophobicContact CE2-CD2 3.22Å; Y92-F115 AromaticContact CE2-CE2 3.34Å; Y92-F115 HydrophobicContact CE2-CE2 3.34Å; Y92-F115 AromaticContact CE2-CG 3.82Å; Y92-F115 HydrophobicContact CE2-CG 3.82Å; Y92-F115 HydrophobicContact CE2-CZ 4.02Å; Y92-F115 AromaticContact CZ-CD2 3.74Å; Y92-F115 AromaticContact CZ-CG 3.94Å; P93-F115 HydrophobicContact CB-CB 4.19Å; P93-F115 WeakPolarHBondContact O-CD2 3.48Å; P93-F115 PolarHBondContact O-N 2.96Å; T95-F115 HydrophobicContact CG2-CE2 4.01Å; T113-F115 HydrophobicContact CG2-CD1 4.01Å; T113-F115 HydrophobicContact CG2-CD2 4.06Å; T113-F115 HydrophobicContact CG2-CE1 3.54Å; T113-F115 HydrophobicContact CG2-CE2 3.59Å; T113-F115 HydrophobicContact CG2-CG 4.28Å; T113-F115 HydrophobicContact CG2-CZ 3.34Å; F115-M217 HydrophobicContact CB-CE 3.98Å; F115-M217 HydrophobicContact CD1-CE 3.75Å; F115-M217 HydrophobicContact CG-CE 4.28Å; F115-C218 WeakPolarHBondContact CA-O 3.49Å; F115-A219 HydrophobicContact CD1-CB 3.61Å; F115-A219 HydrophobicContact CE1-CB 3.51Å
116F95.9Very high91.6Very high61 Ų6140 Ų4027%0.26820%0.198SC..EExtended strand (participates in β ladder)trans-132.2147.3179.5-62.6-64.5000111Y114 D118 Q122 V125 M217 C218 Y220Y114-F116 HydrophobicContact CD1-CE2 4.5Å; Y114-F116 HydrophobicContact CD1-CZ 4.07Å; Y114-F116 HydrophobicContact CG-CE2 4.14Å; Y114-F116 HydrophobicContact CG-CZ 4.16Å; F116-D118 WeakPolarHBondContact CB-OD2 3.47Å; F116-D118 PolarHBondContact O-N 2.93Å; F116-Q122 VanDerWaalsContact CD2-NE2 3.29Å; F116-Q122 VanDerWaalsContact CG-NE2 3.33Å; F116-V125 HydrophobicContact CD2-CG1 4.45Å; F116-V125 HydrophobicContact CE2-CB 3.98Å; F116-V125 HydrophobicContact CE2-CG1 3.91Å; F116-M217 CarbonylContact O-C 3.41Å; F116-M217 VanDerWaalsContact O-CA 3.23Å; F116-M217 WeakPolarHBondContact O-CA 3.47Å; F116-M217 WeakPolarHBondContact O-CB 3.37Å; F116-C218 PolarHBondContact N-O 3.18Å; F116-C218 PolarHBondContact O-N 3.35Å; F116-Y220 AromaticContact CD2-CD2 3.96Å; F116-Y220 HydrophobicContact CD2-CD2 3.96Å; F116-Y220 AromaticContact CD2-CE2 3.97Å; F116-Y220 HydrophobicContact CD2-CE2 3.97Å
117D92Very high92.9Very high91 Ų9142.9 Ų42.949%0.48722%0.217SC..SBendtrans-77.660.9173.8-66.4-74000110.7T13 V14 I216T13-D117 WeakPolarHBondContact CA-OD1 3.18Å; V14-D117 WeakPolarHBondContact CB-OD2 3.29Å; V14-D117 HydrophobicContact CG2-CB 4.35Å; V14-D117 VanDerWaalsContact CG2-CG 3.47Å; V14-D117 WeakPolarHBondContact CG2-OD2 3.35Å; V14-D117 PolarHBondContact N-OD1 3.16Å; D117-I216 CarbonylContact C-O 3.6Å
118D92.2Very high93.5Very high21 Ų2142.1 Ų42.111%0.11221%0.213CC..SBendtrans-136.4177.7176.37246.9000112.3F116 G120 Q122 M217 C218 Y220F116-D118 WeakPolarHBondContact CB-OD2 3.47Å; F116-D118 PolarHBondContact O-N 2.93Å; D118-G120 WeakPolarHBondContact OD1-CA 3.3Å; D118-G120 PolarHBondContact OD1-N 3.11Å; D118-Q122 PolarHBondContact OD2-NE2 2.97Å; D118-M217 CarbonylContact O-C 3.02Å; D118-M217 VanDerWaalsContact O-CA 3.25Å; D118-M217 WeakPolarHBondContact O-CA 3.29Å; D118-C218 PolarHBondContact O-N 3.28Å; D118-C218 VanDerWaalsContact O-N 3.11Å; D118-C218 WeakPolarHBondContact OD1-CB 3.47Å; D118-Y220 PolarHBondContact OD1-OH 2.94Å
119A92.7Very high93.8Very high5 Ų542 Ų424%0.04121%0.214CC..SBendtrans-97.920.9-178.300000115.1C9 E121 R177 I181 I216C9-A119 VanDerWaalsContact SG-C 3.58Å; C9-A119 PolarHBondContact SG-O 3.38Å; A119-E121 HydrophobicContact CB-CG 4.46Å; A119-R177 PolarHBondContact O-NH2 3.35Å; A119-I181 HydrophobicContact CB-CD1 3.63Å; A119-I181 HydrophobicContact CB-CG1 3.42Å; A119-I181 VanDerWaalsContact CB-CG1 3.42Å; A119-I216 HydrophobicContact CB-CD1 3.92Å; A119-I216 HydrophobicContact CB-CG1 4.45Å; A119-I216 HydrophobicContact CB-CG2 4.42Å
120G92.8Very high93.7Very high2 Ų246 Ų462%0.02124%0.241CC..SBendtrans85.926.9-178.500000114.3R7 D118 C218 Y220R7-G120 WeakPolarHBondContact CD-O 3.32Å; R7-G120 PolarHBondContact NH1-O 3.08Å; D118-G120 WeakPolarHBondContact OD1-CA 3.3Å; D118-G120 PolarHBondContact OD1-N 3.11Å; G120-C218 VanDerWaalsContact CA-SG 3.51Å; G120-Y220 WeakPolarHBondContact CA-OH 3.39Å
121E91.2Very high93.5Very high132 Ų13251.3 Ų51.362%0.61727%0.27SS*.  trans-87.1-40.3-170.7-62.9-177.5-17400114.2A119 Y220A119-E121 HydrophobicContact CB-CG 4.46Å; E121-Y220 PolarHBondContact N-OH 2.71Å; E121-Y220 VanDerWaalsContact N-OH 3.09Å
122Q92.3Very high93.3Very high87 Ų8752.9 Ų52.941%0.40728%0.276SS..  trans-53.2144.1178.7-58.8-176.266.900111.4R7 F116 D118 V125 Y220R7-Q122 PolarHBondContact NH1-O 3.39Å; R7-Q122 PolarHBondContact NH2-O 3.38Å; F116-Q122 VanDerWaalsContact CD2-NE2 3.29Å; F116-Q122 VanDerWaalsContact CG-NE2 3.33Å; D118-Q122 PolarHBondContact OD2-NE2 2.97Å; Q122-V125 HydrophobicContact CB-CG1 3.62Å; Q122-Y220 WeakPolarHBondContact CA-OH 3.43Å; Q122-Y220 WeakPolarHBondContact CB-OH 3.44Å; Q122-Y220 PolarHBondContact N-OH 2.75Å; Q122-Y220 WeakPolarHBondContact O-CE1 3.26Å; Q122-Y220 PolarHBondContact O-OH 2.66Å
123D91.1Very high93.1Very high95 Ų9557.4 Ų57.451%0.50829%0.293SS..  trans-112153.2171.5-164.534.9000112.6R7 V125 R136R7-D123 IonicContact NH2-OD1 3.9Å; R7-D123 PolarHBondContact NH2-OD1 3.48Å; R7-D123 VanDerWaalsContact NH2-OD1 3.08Å; D123-V125 VanDerWaalsContact C-N 3.28Å; D123-V125 PolarHBondContact O-N 3.2Å; D123-R136 IonicContact OD1-CZ 2.66Å; D123-R136 IonicContact OD1-NH1 3.33Å; D123-R136 PolarHBondContact OD1-NH1 2.8Å; D123-R136 IonicContact OD1-NH2 3.96Å; D123-R136 PolarHBondContact OD1-NH2 3.13Å; D123-R136 IonicContact OD2-NH2 3.01Å; D123-R136 PolarHBondContact OD2-NH2 3.44Å
124D91.2Very high92.9Very high15 Ų1566 Ų668%0.0833%0.33CS..  trans51.437.3178.7-154.571000115.5F126 N127 L128 R133D124-F126 PolarHBondContact O-N 2.9Å; D124-N127 PolarHBondContact O-N 3.36Å; D124-N127 VanDerWaalsContact OD2-CA 3.23Å; D124-N127 WeakPolarHBondContact OD2-CA 3.34Å; D124-L128 VanDerWaalsContact OD1-CB 3.31Å; D124-L128 WeakPolarHBondContact OD1-CB 3.46Å; D124-L128 PolarHBondContact OD1-N 3.2Å; D124-L128 PolarHBondContact OD2-N 2.83Å; D124-R133 VanDerWaalsContact CG-CZ 3.49Å; D124-R133 VanDerWaalsContact CG-NH2 3.35Å; D124-R133 WeakPolarHBondContact OD1-CG 3.33Å; D124-R133 IonicContact OD1-CZ 2.72Å; D124-R133 IonicContact OD1-NE 3.55Å; D124-R133 PolarHBondContact OD1-NE 3Å; D124-R133 IonicContact OD1-NH2 3.32Å; D124-R133 IonicContact OD2-CZ 3.62Å; D124-R133 VanDerWaalsContact OD2-CZ 3.25Å; D124-R133 IonicContact OD2-NE 2.72Å; D124-R133 PolarHBondContact OD2-NE 3.08Å; D124-R133 IonicContact OD2-NH2 3.45Å; D124-R133 PolarHBondContact OD2-NH2 2.86Å
125V94.3Very high92.6Very high15 Ų1565.7 Ų65.79%0.09134%0.341CS..THydrogen-bonded Turntrans-55.8-17.2179.1-57.80000114.2Y114 F116 Q122 D123 Y220Y114-V125 HydrophobicContact CD2-CG2 4.24Å; Y114-V125 WeakPolarHBondContact CE2-O 3.49Å; F116-V125 HydrophobicContact CD2-CG1 4.45Å; F116-V125 HydrophobicContact CE2-CB 3.98Å; F116-V125 HydrophobicContact CE2-CG1 3.91Å; Q122-V125 HydrophobicContact CB-CG1 3.62Å; D123-V125 VanDerWaalsContact C-N 3.28Å; D123-V125 PolarHBondContact O-N 3.2Å; V125-Y220 HydrophobicContact CG1-CD1 4.27Å; V125-Y220 HydrophobicContact CG1-CE1 4.07Å; V125-Y220 HydrophobicContact CG2-CD1 3.73Å; V125-Y220 HydrophobicContact CG2-CE1 4.35Å; V125-Y220 HydrophobicContact CG2-CG 3.87Å
126F94.4Very high92.4Very high21 Ų2166.9 Ų66.99%0.09235%0.346CS..THydrogen-bonded Turntrans-90-2.5176.5-60.4-81.9000114.6E5 E112 Y114 D124 L128 Y220 L222E5-F126 HydrophobicContact CG-CE2 4.15Å; E112-F126 HydrophobicContact CB-CD1 3.96Å; E112-F126 HydrophobicContact CB-CE1 3.69Å; Y114-F126 AromaticContact CD2-CD1 3.79Å; Y114-F126 HydrophobicContact CD2-CD1 3.79Å; Y114-F126 AromaticContact CD2-CE1 3.63Å; Y114-F126 HydrophobicContact CD2-CE1 3.63Å; Y114-F126 HydrophobicContact CD2-CG 4.47Å; Y114-F126 HydrophobicContact CD2-CZ 4.19Å; Y114-F126 AromaticContact CE2-CD1 3.86Å; Y114-F126 HydrophobicContact CE2-CD1 3.86Å; Y114-F126 HydrophobicContact CE2-CE1 4.12Å; D124-F126 PolarHBondContact O-N 2.9Å; F126-L128 HydrophobicContact CB-CD2 3.66Å; F126-L128 HydrophobicContact CB-CG 3.96Å; F126-Y220 WeakPolarHBondContact CZ-O 3.49Å; F126-L222 HydrophobicContact CB-CD2 4.05Å; F126-L222 HydrophobicContact CD1-CB 4.04Å; F126-L222 HydrophobicContact CD1-CD2 4.17Å; F126-L222 HydrophobicContact CD2-CB 3.82Å; F126-L222 HydrophobicContact CD2-CD2 4.08Å; F126-L222 HydrophobicContact CD2-CG 4.41Å; F126-L222 HydrophobicContact CE1-CB 3.8Å; F126-L222 HydrophobicContact CE2-CB 3.58Å; F126-L222 HydrophobicContact CG-CB 4.06Å; F126-L222 HydrophobicContact CG-CD2 3.82Å; F126-L222 HydrophobicContact CZ-CB 3.56Å
127N93.2Very high92.4Very high136 Ų13668 Ų6873%0.72735%0.354SS*.  trans52.554.5-175.8-65.2-87.8000112.8D124D124-N127 PolarHBondContact O-N 3.36Å; D124-N127 VanDerWaalsContact OD2-CA 3.23Å; D124-N127 WeakPolarHBondContact OD2-CA 3.34Å
128L92.9Very high92.6Very high9 Ų967 Ų675%0.04735%0.347CS..  trans-72.2150.4-169.6-61.2179.9000113.3D124 F126 E132 R133 R136 L222D124-L128 VanDerWaalsContact OD1-CB 3.31Å; D124-L128 WeakPolarHBondContact OD1-CB 3.46Å; D124-L128 PolarHBondContact OD1-N 3.2Å; D124-L128 PolarHBondContact OD2-N 2.83Å; F126-L128 HydrophobicContact CB-CD2 3.66Å; F126-L128 HydrophobicContact CB-CG 3.96Å; L128-E132 HydrophobicContact CB-CB 4.05Å; L128-E132 HydrophobicContact CD1-CB 4.41Å; L128-E132 HydrophobicContact CD2-CB 4.47Å; L128-R133 HydrophobicContact CB-CB 4.08Å; L128-R136 HydrophobicContact CD1-CB 4.5Å; L128-L222 HydrophobicContact CD1-CD1 4.36Å; L128-L222 HydrophobicContact CD1-CD2 4.23Å; L128-L222 HydrophobicContact CD2-CD2 3.6Å; L128-L222 HydrophobicContact CG-CD2 4.47Å
129S92.4Very high92.7Very high50 Ų5067.3 Ų67.335%0.3535%0.349SS..  trans-58.4149.9167.764.30000110.7D131 E132 R133S129-D131 PolarHBondContact O-N 3.38Å; S129-D131 VanDerWaalsContact O-N 3.1Å; S129-E132 WeakPolarHBondContact CB-OE2 3.38Å; S129-E132 PolarHBondContact N-OE2 2.91Å; S129-E132 PolarHBondContact O-N 2.87Å; S129-E132 VanDerWaalsContact O-N 3.11Å; S129-E132 WeakPolarHBondContact OG-CB 3.38Å; S129-E132 VanDerWaalsContact OG-CG 3.29Å; S129-E132 WeakPolarHBondContact OG-CG 3.4Å; S129-E132 PolarHBondContact OG-N 3.47Å; S129-E132 PolarHBondContact OG-OE2 3.32Å; S129-R133 WeakPolarHBondContact O-CB 3.31Å; S129-R133 PolarHBondContact O-N 3.46Å
130P91.5Very high92.9Very high106 Ų10670.9 Ų70.969%0.68836%0.364SS*.Hα-helixtrans-55.4-32.3-178-28.436.2000114.2K134P130-K134 VanDerWaalsContact O-CB 3.27Å; P130-K134 WeakPolarHBondContact O-CB 3.38Å; P130-K134 PolarHBondContact O-N 3.22Å
131D90.2Very high93Very high126 Ų12670.9 Ų70.967%0.67436%0.363SS*.Hα-helixtrans-76.6-41.6177.3-66.1-52.7000112.6S129 K134 A135S129-D131 PolarHBondContact O-N 3.38Å; S129-D131 VanDerWaalsContact O-N 3.1Å; D131-K134 PolarHBondContact O-N 3.29Å; D131-A135 WeakPolarHBondContact O-CB 3.15Å; D131-A135 PolarHBondContact O-N 2.86Å
132E92.3Very high93.3Very high44 Ų4465 Ų6521%0.20634%0.336CS..Hα-helixtrans-62.4-47.5171.1-78.7172.8110.400111.3L3 L128 S129 K134 A135 R136 R224L3-E132 HydrophobicContact CD2-CB 3.91Å; L3-E132 HydrophobicContact CD2-CG 4.24Å; L3-E132 VanDerWaalsContact CD2-O 3.3Å; L3-E132 WeakPolarHBondContact CD2-O 3.19Å; L128-E132 HydrophobicContact CB-CB 4.05Å; L128-E132 HydrophobicContact CD1-CB 4.41Å; L128-E132 HydrophobicContact CD2-CB 4.47Å; S129-E132 WeakPolarHBondContact CB-OE2 3.38Å; S129-E132 PolarHBondContact N-OE2 2.91Å; S129-E132 PolarHBondContact O-N 2.87Å; S129-E132 VanDerWaalsContact O-N 3.11Å; S129-E132 WeakPolarHBondContact OG-CB 3.38Å; S129-E132 VanDerWaalsContact OG-CG 3.29Å; S129-E132 WeakPolarHBondContact OG-CG 3.4Å; S129-E132 PolarHBondContact OG-N 3.47Å; S129-E132 PolarHBondContact OG-OE2 3.32Å; E132-K134 PolarHBondContact O-N 3.4Å; E132-A135 CarbonylContact O-C 3.51Å; E132-A135 PolarHBondContact O-N 2.97Å; E132-R136 WeakPolarHBondContact O-CB 3.25Å; E132-R136 PolarHBondContact O-N 3.02Å; E132-R224 IonicContact OE1-CZ 3.85Å; E132-R224 VanDerWaalsContact OE1-CZ 3.31Å; E132-R224 IonicContact OE1-NE 2.75Å; E132-R224 PolarHBondContact OE1-NE 3.02Å; E132-R224 IonicContact OE1-NH2 2.86Å; E132-R224 PolarHBondContact OE1-NH2 2.92Å
133R91.9Very high93.4Very high118 Ų11860.9 Ų60.945%0.44532%0.317SS..Hα-helixtrans-59-32.3-179.7-163.3-173.7-62.8165.5-1.3112D124 L128 S129D124-R133 VanDerWaalsContact CG-CZ 3.49Å; D124-R133 VanDerWaalsContact CG-NH2 3.35Å; D124-R133 WeakPolarHBondContact OD1-CG 3.33Å; D124-R133 IonicContact OD1-CZ 2.72Å; D124-R133 IonicContact OD1-NE 3.55Å; D124-R133 PolarHBondContact OD1-NE 3Å; D124-R133 IonicContact OD1-NH2 3.32Å; D124-R133 IonicContact OD2-CZ 3.62Å; D124-R133 VanDerWaalsContact OD2-CZ 3.25Å; D124-R133 IonicContact OD2-NE 2.72Å; D124-R133 PolarHBondContact OD2-NE 3.08Å; D124-R133 IonicContact OD2-NH2 3.45Å; D124-R133 PolarHBondContact OD2-NH2 2.86Å; L128-R133 HydrophobicContact CB-CB 4.08Å; S129-R133 WeakPolarHBondContact O-CB 3.31Å; S129-R133 PolarHBondContact O-N 3.46Å
134K91.7Very high93.7Very high182 Ų18257.5 Ų57.579%0.79130%0.3SS*.Hα-helixtrans-78.9-28175-178179.6175.3-173.40113.7P130 D131 E132P130-K134 VanDerWaalsContact O-CB 3.27Å; P130-K134 WeakPolarHBondContact O-CB 3.38Å; P130-K134 PolarHBondContact O-N 3.22Å; D131-K134 PolarHBondContact O-N 3.29Å; E132-K134 PolarHBondContact O-N 3.4Å
135A91.1Very high93.8Very high60 Ų6061.8 Ų61.850%0.49632%0.317SS..Hα-helixtrans-87.5-20.317700000113.7D131 E132 I137D131-A135 WeakPolarHBondContact O-CB 3.15Å; D131-A135 PolarHBondContact O-N 2.86Å; E132-A135 CarbonylContact O-C 3.51Å; E132-A135 PolarHBondContact O-N 2.97Å; A135-I137 PolarHBondContact O-N 3.3Å
136R94.4Very high93.7Very high29 Ų2962.7 Ų62.711%0.10932%0.322CS..PPolyproline II helixtrans-62.7125.3179.8175.7-175.358.5147.83.6111.8L3 E5 D123 L128 E132 I138 L222L3-R136 HydrophobicContact CD2-CB 3.87Å; L3-R136 HydrophobicContact CG-CB 4.19Å; E5-R136 HydrophobicContact CB-CG 3.95Å; E5-R136 IonicContact OE1-NH1 3.22Å; E5-R136 PolarHBondContact OE1-NH1 2.85Å; E5-R136 WeakPolarHBondContact OE2-CD 3.34Å; E5-R136 IonicContact OE2-CZ 3.4Å; E5-R136 IonicContact OE2-NE 3.39Å; E5-R136 IonicContact OE2-NH1 2.85Å; E5-R136 PolarHBondContact OE2-NH1 3.47Å; D123-R136 IonicContact OD1-CZ 2.66Å; D123-R136 IonicContact OD1-NH1 3.33Å; D123-R136 PolarHBondContact OD1-NH1 2.8Å; D123-R136 IonicContact OD1-NH2 3.96Å; D123-R136 PolarHBondContact OD1-NH2 3.13Å; D123-R136 IonicContact OD2-NH2 3.01Å; D123-R136 PolarHBondContact OD2-NH2 3.44Å; L128-R136 HydrophobicContact CD1-CB 4.5Å; E132-R136 WeakPolarHBondContact O-CB 3.25Å; E132-R136 PolarHBondContact O-N 3.02Å; R136-I138 HydrophobicContact CG-CG1 4.44Å; R136-L222 HydrophobicContact CG-CD1 4.36Å
137I94.9Very high93.4Very high85 Ų8567.1 Ų67.144%0.43636%0.355SS..EExtended strand (participates in β ladder)trans-97.2126.7165.5-59.6164.9000108.2L2 L3 K4 E5 A135L2-I137 HydrophobicContact CD1-CD1 4.24Å; L3-I137 PolarHBondContact O-N 3.45Å; K4-I137 CarbonylContact C-O 3.52Å; K4-I137 VanDerWaalsContact CA-O 3.26Å; K4-I137 WeakPolarHBondContact CA-O 3.46Å; K4-I137 HydrophobicContact CG-CB 4.27Å; E5-I137 PolarHBondContact N-O 3.34Å; A135-I137 PolarHBondContact O-N 3.3Å
138I95.8Very high92.9Very high68 Ų6862.5 Ų62.535%0.34933%0.33SS..EExtended strand (participates in β ladder)trans-89.4133.2172-60.4166.2000108.7E5 R7 R136 F140E5-I138 HydrophobicContact CB-CG1 4.42Å; E5-I138 WeakPolarHBondContact O-CA 3.4Å; R7-I138 HydrophobicContact CG-CG2 4.19Å; R136-I138 HydrophobicContact CG-CG1 4.44Å; I138-F140 HydrophobicContact CG2-CD2 4.35Å; I138-F140 HydrophobicContact CG2-CE2 4.09Å
139D95.3Very high92.3Very high28 Ų2864.6 Ų64.615%0.1534%0.344CS..EExtended strand (participates in β ladder)trans-132.6120.3-179.5-173.3-10.8000108.7E5 Y6 R7 R246E5-D139 PolarHBondContact O-N 3.39Å; Y6-D139 CarbonylContact C-O 3.47Å; Y6-D139 VanDerWaalsContact CA-O 3.24Å; Y6-D139 WeakPolarHBondContact CA-O 3.39Å; Y6-D139 HydrophobicContact CD1-CB 3.85Å; Y6-D139 HydrophobicContact CE1-CB 4.17Å; Y6-D139 WeakPolarHBondContact CE1-OD2 3.48Å; R7-D139 PolarHBondContact N-O 2.86Å; D139-R246 VanDerWaalsContact CG-NE 3.31Å; D139-R246 IonicContact OD1-CZ 3.19Å; D139-R246 VanDerWaalsContact OD1-CZ 3.32Å; D139-R246 IonicContact OD1-NE 3.55Å; D139-R246 PolarHBondContact OD1-NE 2.69Å; D139-R246 IonicContact OD1-NH2 2.68Å; D139-R246 PolarHBondContact OD1-NH2 3.19Å; D139-R246 WeakPolarHBondContact OD2-CD 3.42Å; D139-R246 IonicContact OD2-CZ 2.62Å; D139-R246 IonicContact OD2-NE 3.67Å; D139-R246 PolarHBondContact OD2-NE 3Å
140F95.9Very high91.7Very high81 Ų8165.8 Ų65.836%0.35536%0.364SS..EExtended strand (participates in β ladder)trans-91.1126.6176.2-80.2-89.5000109.7R7 I138 R177 R246R7-F140 HydrophobicContact CB-CD1 3.59Å; R7-F140 HydrophobicContact CB-CE1 3.57Å; R7-F140 HydrophobicContact CB-CG 4.2Å; R7-F140 HydrophobicContact CB-CZ 4.17Å; R7-F140 HydrophobicContact CG-CE1 4.29Å; R7-F140 HydrophobicContact CG-CZ 4.44Å; R7-F140 WeakPolarHBondContact O-CA 3.34Å; I138-F140 HydrophobicContact CG2-CD2 4.35Å; I138-F140 HydrophobicContact CG2-CE2 4.09Å; F140-R177 VanDerWaalsContact CE1-NH2 3.29Å; F140-R246 PolarHBondContact O-NH2 3.08Å
141I96.1Very high91.1Very high2 Ų264 Ų641%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-99.1114.7172.3-57.6-178.3000108.1Y6 R7 I8 D146 R246 M249 L250Y6-I141 HydrophobicContact CD1-CD1 3.82Å; Y6-I141 HydrophobicContact CD1-CG1 4.16Å; Y6-I141 HydrophobicContact CG-CD1 4.27Å; R7-I141 PolarHBondContact O-N 2.86Å; I8-I141 HydrophobicContact CD1-CD1 4.01Å; I8-I141 HydrophobicContact CG1-CB 4.17Å; I8-I141 HydrophobicContact CG1-CD1 4.12Å; I8-I141 HydrophobicContact CG1-CG1 4.38Å; I8-I141 HydrophobicContact CG2-CB 4.22Å; I8-I141 HydrophobicContact CG2-CG2 4.43Å; I141-D146 WeakPolarHBondContact CA-OD2 3.34Å; I141-R246 HydrophobicContact CD1-CG 3.84Å; I141-R246 HydrophobicContact CG1-CG 4.14Å; I141-M249 HydrophobicContact CD1-CB 3.75Å; I141-M249 HydrophobicContact CD1-SD 4.26Å; I141-L250 HydrophobicContact CG2-CB 3.83Å; I141-L250 HydrophobicContact CG2-CD1 3.79Å; I141-L250 HydrophobicContact CG2-CG 4.39Å
142D96.1Very high90.7Very high9 Ų959 Ų595%0.04833%0.327CS..  trans-102.9113.6177.8-169.7-44.6000109.8V144 K145 D146 W176D142-V144 PolarHBondContact O-N 3.34Å; D142-V144 VanDerWaalsContact O-N 3.1Å; D142-V144 PolarHBondContact OD1-N 2.94Å; D142-K145 HydrophobicContact CB-CB 3.98Å; D142-K145 HydrophobicContact CB-CG 4.42Å; D142-K145 PolarHBondContact O-N 3.42Å; D142-K145 PolarHBondContact OD1-N 3.05Å; D142-K145 VanDerWaalsContact OD1-N 3.11Å; D142-K145 VanDerWaalsContact OD2-CD 3.31Å; D142-K145 WeakPolarHBondContact OD2-CD 3.36Å; D142-K145 IonicContact OD2-NZ 3.67Å; D142-D146 PolarHBondContact N-OD2 2.99Å; D142-D146 WeakPolarHBondContact O-CB 3.24Å; D142-D146 PolarHBondContact O-N 2.64Å; D142-W176 PolarHBondContact OD1-NE1 3.36Å
143I96Very high90.5Very high0 Ų061.4 Ų61.40%034%0.335CS..THydrogen-bonded Turntrans-62.6-16.1-176.658166.7000114.1M10 P11 P159 L172 W176 H253 R254M10-I143 HydrophobicContact CE-CD1 4.41Å; M10-I143 HydrophobicContact SD-CD1 4.15Å; M10-I143 HydrophobicContact SD-CG2 4.1Å; P11-I143 HydrophobicContact CG-CD1 4.33Å; I143-P159 HydrophobicContact CB-CG 4.37Å; I143-P159 HydrophobicContact CD1-CB 4.48Å; I143-P159 HydrophobicContact CD1-CG 4.28Å; I143-P159 HydrophobicContact CG1-CG 4.5Å; I143-L172 HydrophobicContact CD1-CD1 3.71Å; I143-L172 HydrophobicContact CG1-CD1 4.3Å; I143-W176 HydrophobicContact CD1-CZ2 4.29Å; I143-W176 HydrophobicContact CG1-CZ2 3.8Å; I143-H253 HydrophobicContact CG2-CB 3.69Å; I143-R254 HydrophobicContact CB-CG 3.84Å; I143-R254 HydrophobicContact CG2-CG 4.22Å; I143-R254 WeakPolarHBondContact O-CD 3.49Å; I143-R254 WeakPolarHBondContact O-CG 3.33Å; I143-R254 PolarHBondContact O-NH1 3.26Å
144V95.4Very high90.4Very high24 Ų2459 Ų5915%0.14533%0.327CS..THydrogen-bonded Turntrans-98.5-48173.7175.80000111.4D142 P159 L172 W176D142-V144 PolarHBondContact O-N 3.34Å; D142-V144 VanDerWaalsContact O-N 3.1Å; D142-V144 PolarHBondContact OD1-N 2.94Å; V144-P159 HydrophobicContact CG2-CB 4.15Å; V144-L172 HydrophobicContact CG2-CB 3.61Å; V144-L172 HydrophobicContact CG2-CD1 3.93Å; V144-L172 HydrophobicContact CG2-CG 4.43Å; V144-W176 VanDerWaalsContact CG2-CD1 3.43Å; V144-W176 HydrophobicContact CG2-CG 4.3Å
145K93.5Very high90.4Very high104 Ų10453.9 Ų53.945%0.45231%0.313SS..THydrogen-bonded Turntrans-82.2-29.6-169.1-60.1173.1-173.3149.50114.4D142 P174 E178D142-K145 HydrophobicContact CB-CB 3.98Å; D142-K145 HydrophobicContact CB-CG 4.42Å; D142-K145 PolarHBondContact O-N 3.42Å; D142-K145 PolarHBondContact OD1-N 3.05Å; D142-K145 VanDerWaalsContact OD1-N 3.11Å; D142-K145 VanDerWaalsContact OD2-CD 3.31Å; D142-K145 WeakPolarHBondContact OD2-CD 3.36Å; D142-K145 IonicContact OD2-NZ 3.67Å; K145-P174 WeakPolarHBondContact CE-O 3.47Å; K145-P174 PolarHBondContact NZ-O 2.89Å; K145-E178 IonicContact NZ-OE1 3.58Å; K145-E178 IonicContact NZ-OE2 2.62Å
146D92.8Very high90.4Very high35 Ų3556 Ų5619%0.18731%0.313CS..SBendtrans-77.1134.6-176.1-73.6-13000111.9I141 D142 R246 L250I141-D146 WeakPolarHBondContact CA-OD2 3.34Å; D142-D146 PolarHBondContact N-OD2 2.99Å; D142-D146 WeakPolarHBondContact O-CB 3.24Å; D142-D146 PolarHBondContact O-N 2.64Å; D146-R246 IonicContact OD1-NH2 3.08Å; D146-R246 IonicContact OD2-CZ 3.21Å; D146-R246 VanDerWaalsContact OD2-CZ 3.29Å; D146-R246 IonicContact OD2-NH1 2.68Å; D146-R246 PolarHBondContact OD2-NH1 3.28Å; D146-R246 IonicContact OD2-NH2 2.78Å; D146-R246 PolarHBondContact OD2-NH2 3.2Å; D146-L250 HydrophobicContact CB-CD1 3.83Å; D146-L250 HydrophobicContact CB-CD2 3.58Å; D146-L250 HydrophobicContact CB-CG 4.34Å
147S88.4Confident90.3Very high114 Ų11454.9 Ų54.980%0.79731%0.309SS*.PPolyproline II helixtrans-79.8139.1-174.155.70000113.7
148I83.5Confident90.2Very high38 Ų3851.3 Ų51.320%0.19529%0.291CS..PPolyproline II helixtrans-98.9146170.1-69.9-178.2000109.5D152 L250I148-D152 HydrophobicContact CG2-CB 3.68Å; I148-L250 HydrophobicContact CG1-CD2 4.07Å; I148-L250 HydrophobicContact CG1-CG 4.45Å
149T80.4Confident90.2Very high54 Ų5448.1 Ų48.133%0.33127%0.274SS..PPolyproline II helixtrans-64.7138.4175.2-1.30000110.7S151 D152 Y153 K247T149-S151 PolarHBondContact O-N 3.2Å; T149-D152 WeakPolarHBondContact CB-OD2 3.48Å; T149-D152 WeakPolarHBondContact O-CA 3.34Å; T149-D152 WeakPolarHBondContact O-CB 3.4Å; T149-D152 PolarHBondContact O-N 2.93Å; T149-D152 PolarHBondContact OG1-OD2 3.17Å; T149-Y153 PolarHBondContact O-N 3.3Å; T149-Y153 VanDerWaalsContact O-N 3.16Å; T149-K247 PolarHBondContact OG1-NZ 3.22Å
150G79.4Confident90.1Very high75 Ų7549.3 Ų49.377%0.77329%0.285SS*.THydrogen-bonded Turntrans-62-15.5-168.700000117
151S79Confident90Very high68 Ų6850.1 Ų50.148%0.47629%0.292SS..THydrogen-bonded Turntrans-78.9-19.3170.148.40000114.3T149T149-S151 PolarHBondContact O-N 3.2Å
152D80.2Confident89.9Confident20 Ų2051.5 Ų51.511%0.10730%0.297CS..THydrogen-bonded Turntrans-113.1-10.9-167.9-39.8-27000111I148 T149 I389I148-D152 HydrophobicContact CG2-CB 3.68Å; T149-D152 WeakPolarHBondContact CB-OD2 3.48Å; T149-D152 WeakPolarHBondContact O-CA 3.34Å; T149-D152 WeakPolarHBondContact O-CB 3.4Å; T149-D152 PolarHBondContact O-N 2.93Å; T149-D152 PolarHBondContact OG1-OD2 3.17Å; D152-I389 HydrophobicContact CB-CG2 3.71Å
153Y89.7Confident89.8Confident95 Ų9554.5 Ų54.537%0.37332%0.316SS..  trans-73.8130.8175.7179.7-91000110.3T149 P155 D158T149-Y153 PolarHBondContact O-N 3.3Å; T149-Y153 VanDerWaalsContact O-N 3.16Å; Y153-P155 HydrophobicContact CE1-CG 4.11Å; Y153-D158 HydrophobicContact CE2-CB 4.42Å; Y153-D158 WeakPolarHBondContact CE2-OD2 3.15Å; Y153-D158 VanDerWaalsContact CZ-OD2 3.28Å; Y153-D158 PolarHBondContact OH-OD2 2.95Å
154K89.1Confident89.6Confident67 Ų6754.6 Ų54.629%0.29132%0.316SS..  trans-132.5122.1-179.7-88170.6147.3-130.60108.1E156 E157 D158K154-E156 WeakPolarHBondContact CB-OE2 3.23Å; K154-E156 WeakPolarHBondContact CD-OE1 3.43Å; K154-E156 WeakPolarHBondContact CE-OE1 3.31Å; K154-E156 WeakPolarHBondContact CG-OE1 3.25Å; K154-E156 IonicContact NZ-OE1 2.74Å; K154-E156 PolarHBondContact NZ-OE1 2.9Å; K154-E156 PolarHBondContact O-N 3.47Å; K154-E157 HydrophobicContact CB-CB 3.89Å; K154-E157 HydrophobicContact CB-CG 3.96Å; K154-E157 HydrophobicContact CD-CG 3.85Å; K154-E157 WeakPolarHBondContact CD-OE1 3.29Å; K154-E157 WeakPolarHBondContact CE-OE1 3.31Å; K154-E157 IonicContact NZ-OE1 3.22Å; K154-E157 PolarHBondContact NZ-OE1 3.21Å; K154-E157 CarbonylContact O-C 3.03Å; K154-E157 PolarHBondContact O-N 2.81Å; K154-D158 PolarHBondContact O-N 3.29Å
155P90.7Very high89.2Confident76 Ų7661.7 Ų61.749%0.49435%0.348SS..G310 helixtrans-56.9-32.7178.1-24.433.8000112.9Y153 E157 D158Y153-P155 HydrophobicContact CE1-CG 4.11Å; P155-E157 VanDerWaalsContact C-N 3.34Å; P155-D158 WeakPolarHBondContact O-CB 3.38Å; P155-D158 PolarHBondContact O-N 3.17Å
156E91.6Very high88.7Confident104 Ų10458.6 Ų58.649%0.48634%0.342SS..G310 helixtrans-75.6-18.617778.1-75.3-178.400113.7K154 A258K154-E156 WeakPolarHBondContact CB-OE2 3.23Å; K154-E156 WeakPolarHBondContact CD-OE1 3.43Å; K154-E156 WeakPolarHBondContact CE-OE1 3.31Å; K154-E156 WeakPolarHBondContact CG-OE1 3.25Å; K154-E156 IonicContact NZ-OE1 2.74Å; K154-E156 PolarHBondContact NZ-OE1 2.9Å; K154-E156 PolarHBondContact O-N 3.47Å; E156-A258 WeakPolarHBondContact O-CB 3.49Å
157E92Very high88.5Confident6 Ų657.1 Ų57.13%0.02833%0.334CS..G310 helixtrans-99.224.5172.2-60.6178.5-171.300111.8K154 P155 R251 R254 Q255K154-E157 HydrophobicContact CB-CB 3.89Å; K154-E157 HydrophobicContact CB-CG 3.96Å; K154-E157 HydrophobicContact CD-CG 3.85Å; K154-E157 WeakPolarHBondContact CD-OE1 3.29Å; K154-E157 WeakPolarHBondContact CE-OE1 3.31Å; K154-E157 IonicContact NZ-OE1 3.22Å; K154-E157 PolarHBondContact NZ-OE1 3.21Å; K154-E157 CarbonylContact O-C 3.03Å; K154-E157 PolarHBondContact O-N 2.81Å; P155-E157 VanDerWaalsContact C-N 3.34Å; E157-R251 IonicContact OE1-NH2 3.86Å; E157-R251 PolarHBondContact OE1-NH2 3.01Å; E157-R251 IonicContact OE2-CZ 3.25Å; E157-R251 IonicContact OE2-NE 2.65Å; E157-R251 PolarHBondContact OE2-NE 2.99Å; E157-R251 IonicContact OE2-NH2 3.74Å; E157-R251 PolarHBondContact OE2-NH2 3.22Å; E157-R251 VanDerWaalsContact OE2-NH2 3.08Å; E157-R254 PolarHBondContact O-NE 2.75Å; E157-Q255 VanDerWaalsContact CD-CG 3.46Å; E157-Q255 VanDerWaalsContact CD-NE2 3.26Å; E157-Q255 HydrophobicContact CG-CG 4.01Å; E157-Q255 PolarHBondContact OE1-NE2 3.41Å; E157-Q255 WeakPolarHBondContact OE2-CG 3.41Å; E157-Q255 PolarHBondContact OE2-NE2 2.89Å; E157-Q255 VanDerWaalsContact OE2-NE2 3.14Å
158D93.7Very high88.3Confident10 Ų1052.3 Ų52.35%0.05330%0.303CS..  trans-105.5110.4179.5-160.3-35.8000113.9Y153 K154 P155 S160 I161 Y162 R254Y153-D158 HydrophobicContact CE2-CB 4.42Å; Y153-D158 WeakPolarHBondContact CE2-OD2 3.15Å; Y153-D158 VanDerWaalsContact CZ-OD2 3.28Å; Y153-D158 PolarHBondContact OH-OD2 2.95Å; K154-D158 PolarHBondContact O-N 3.29Å; P155-D158 WeakPolarHBondContact O-CB 3.38Å; P155-D158 PolarHBondContact O-N 3.17Å; D158-S160 VanDerWaalsContact CG-OG 3.27Å; D158-S160 PolarHBondContact O-N 2.9Å; D158-S160 VanDerWaalsContact O-N 3.13Å; D158-S160 WeakPolarHBondContact OD1-CB 3.4Å; D158-S160 PolarHBondContact OD1-N 2.99Å; D158-S160 PolarHBondContact OD1-OG 3.16Å; D158-I161 HydrophobicContact CB-CB 4.29Å; D158-I161 HydrophobicContact CB-CD1 4.06Å; D158-I161 HydrophobicContact CB-CG1 4.09Å; D158-I161 PolarHBondContact O-N 3.16Å; D158-Y162 WeakPolarHBondContact O-CB 3.46Å; D158-Y162 PolarHBondContact O-N 3.07Å; D158-R254 IonicContact OD1-CZ 3.43Å; D158-R254 IonicContact OD1-NH1 3.77Å; D158-R254 IonicContact OD1-NH2 3.79Å; D158-R254 PolarHBondContact OD1-NH2 3.13Å; D158-R254 IonicContact OD2-NH2 3.9Å; D158-R254 PolarHBondContact OD2-NH2 2.79Å
159P95.4Very high88.7Confident0 Ų051.2 Ų51.20%030%0.296CS..THydrogen-bonded Turntrans-61.2-20.4176.9-23.134000115.4I143 V144 I161 L172 R254 W257I143-P159 HydrophobicContact CB-CG 4.37Å; I143-P159 HydrophobicContact CD1-CB 4.48Å; I143-P159 HydrophobicContact CD1-CG 4.28Å; I143-P159 HydrophobicContact CG1-CG 4.5Å; V144-P159 HydrophobicContact CG2-CB 4.15Å; P159-I161 VanDerWaalsContact C-N 3.26Å; P159-L172 HydrophobicContact CB-CB 4.37Å; P159-L172 HydrophobicContact CB-CD1 3.62Å; P159-L172 HydrophobicContact CB-CG 4.09Å; P159-L172 PolarHBondContact O-N 2.87Å; P159-R254 VanDerWaalsContact CD-CZ 3.45Å; P159-R254 HydrophobicContact CG-CB 4.25Å; P159-R254 HydrophobicContact CG-CG 3.79Å; P159-W257 VanDerWaalsContact CB-CD1 3.41Å; P159-W257 HydrophobicContact CB-CG 4.2Å; P159-W257 HydrophobicContact CG-CB 4.49Å; P159-W257 HydrophobicContact CG-CG 4.3Å
160S94.2Very high89.2Confident54 Ų5449.9 Ų49.938%0.37829%0.293SS..THydrogen-bonded Turntrans-80.4-5.1175.868.90000113.9D158 P171D158-S160 VanDerWaalsContact CG-OG 3.27Å; D158-S160 PolarHBondContact O-N 2.9Å; D158-S160 VanDerWaalsContact O-N 3.13Å; D158-S160 WeakPolarHBondContact OD1-CB 3.4Å; D158-S160 PolarHBondContact OD1-N 2.99Å; D158-S160 PolarHBondContact OD1-OG 3.16Å; S160-P171 WeakPolarHBondContact O-CB 3.4Å
161I93.8Very high89.8Confident97 Ų9750 Ų5050%0.49728%0.281SS..THydrogen-bonded Turntrans-125-42.1-179.3-51.2178.4000111D158 P159D158-I161 HydrophobicContact CB-CB 4.29Å; D158-I161 HydrophobicContact CB-CD1 4.06Å; D158-I161 HydrophobicContact CB-CG1 4.09Å; D158-I161 PolarHBondContact O-N 3.16Å; P159-I161 VanDerWaalsContact C-N 3.26Å
162Y94.2Very high90.6Very high32 Ų3247.2 Ų47.213%0.12526%0.26CS..  trans-65.5138.2-175.5172.9-94.3000113.1D158 S164 P171 W257 A258 Q260 D261D158-Y162 WeakPolarHBondContact O-CB 3.46Å; D158-Y162 PolarHBondContact O-N 3.07Å; Y162-S164 WeakPolarHBondContact OH-CA 3.35Å; Y162-S164 WeakPolarHBondContact OH-CB 3.43Å; Y162-P171 WeakPolarHBondContact O-CA 3.46Å; Y162-W257 AromaticContact CD1-CD1 3.8Å; Y162-W257 AromaticContact CD1-NE1 3.74Å; Y162-W257 WeakPolarHBondContact CE1-O 3.4Å; Y162-A258 HydrophobicContact CD2-CB 4.47Å; Y162-A258 VanDerWaalsContact CE2-O 3.25Å; Y162-A258 WeakPolarHBondContact CE2-O 3.39Å; Y162-A258 HydrophobicContact CG-CB 4.42Å; Y162-A258 VanDerWaalsContact CZ-O 3.27Å; Y162-A258 PolarHBondContact OH-O 3.07Å; Y162-Q260 HydrophobicContact CE1-CB 4.48Å; Y162-D261 VanDerWaalsContact OH-CG 3.29Å; Y162-D261 PolarHBondContact OH-OD2 3.08Å
163V93.1Very high91.2Very high72 Ų7247.9 Ų47.944%0.43627%0.266SS..  trans-130.9127.5172.9-170.30000108R169V163-R169 WeakPolarHBondContact CA-O 3.47Å
164S90.9Very high91.4Very high2 Ų247.6 Ų47.61%0.01428%0.276CS..  trans-78.5127178.3160.80000111.6Y162 A166 T167 G168 R169 D261Y162-S164 WeakPolarHBondContact OH-CA 3.35Å; Y162-S164 WeakPolarHBondContact OH-CB 3.43Å; S164-A166 PolarHBondContact OG-N 3.2Å; S164-T167 WeakPolarHBondContact CB-OG1 3.44Å; S164-T167 PolarHBondContact OG-N 2.84Å; S164-T167 VanDerWaalsContact OG-N 3.15Å; S164-T167 PolarHBondContact OG-OG1 2.81Å; S164-G168 VanDerWaalsContact O-CA 3.27Å; S164-G168 WeakPolarHBondContact O-CA 3.18Å; S164-G168 PolarHBondContact O-N 2.61Å; S164-R169 PolarHBondContact N-O 3.26Å; S164-D261 WeakPolarHBondContact CA-OD1 3.44Å; S164-D261 WeakPolarHBondContact CB-OD1 3.37Å; S164-D261 PolarHBondContact OG-OD1 3.47Å
165E87.8Confident91.6Very high172 Ų17249 Ų4980%0.80429%0.287SS*.THydrogen-bonded Turntrans-69.1-37.7174.7-63.4-170.3168.400112T167 D261E165-T167 PolarHBondContact O-N 3.46Å; E165-D261 PolarHBondContact N-OD1 3.03Å; E165-D261 PolarHBondContact N-OD2 3.4Å
166A83.6Confident91.8Very high40 Ų4045.5 Ų45.533%0.33126%0.264SS..THydrogen-bonded Turntrans-76.9-17.4-176.700000114.2S164 D261 Y264S164-A166 PolarHBondContact OG-N 3.2Å; A166-D261 HydrophobicContact CB-CB 4.36Å; A166-D261 VanDerWaalsContact CB-OD1 3.29Å; A166-D261 WeakPolarHBondContact CB-OD1 3.23Å; A166-D261 PolarHBondContact N-OD1 2.97Å; A166-Y264 HydrophobicContact CB-CD1 4.22Å
167T87.1Confident91.9Very high3 Ų342.6 Ų42.62%0.01825%0.248CC..THydrogen-bonded Turntrans-130.8-10.4-173.871.40000114.7S164 E165 R169 L212 Q260 Y264S164-T167 WeakPolarHBondContact CB-OG1 3.44Å; S164-T167 PolarHBondContact OG-N 2.84Å; S164-T167 VanDerWaalsContact OG-N 3.15Å; S164-T167 PolarHBondContact OG-OG1 2.81Å; E165-T167 PolarHBondContact O-N 3.46Å; T167-R169 PolarHBondContact O-N 3.2Å; T167-R169 VanDerWaalsContact O-N 3.14Å; T167-R169 WeakPolarHBondContact OG1-CB 3.41Å; T167-R169 PolarHBondContact OG1-N 2.94Å; T167-L212 HydrophobicContact CG2-CD1 3.99Å; T167-L212 PolarHBondContact O-N 3.42Å; T167-Q260 PolarHBondContact OG1-OE1 2.8Å; T167-Y264 HydrophobicContact CG2-CD1 3.68Å; T167-Y264 HydrophobicContact CG2-CD2 3.57Å; T167-Y264 HydrophobicContact CG2-CE1 3.74Å; T167-Y264 HydrophobicContact CG2-CE2 3.63Å; T167-Y264 HydrophobicContact CG2-CG 3.57Å
168G86.1Confident91.9Very high14 Ų1446.3 Ų46.314%0.14427%0.266CS..  trans62.612-172.600000114S164 P211S164-G168 VanDerWaalsContact O-CA 3.27Å; S164-G168 WeakPolarHBondContact O-CA 3.18Å; S164-G168 PolarHBondContact O-N 2.61Å; G168-P211 VanDerWaalsContact O-CB 3.29Å; G168-P211 WeakPolarHBondContact O-CB 3.39Å; G168-P211 WeakPolarHBondContact O-CG 3.14Å
169R91.2Very high91.8Very high14 Ų1449.4 Ų49.45%0.05328%0.28CS..  trans-86.6134.3-176.5-70.6-165.9-73-142-11.5111.9E16 V163 S164 T167 L212 W257E16-R169 IonicContact OE1-CZ 3.52Å; E16-R169 IonicContact OE1-NH1 2.76Å; E16-R169 PolarHBondContact OE1-NH1 3.2Å; E16-R169 IonicContact OE1-NH2 3.19Å; E16-R169 PolarHBondContact OE1-NH2 3.44Å; E16-R169 IonicContact OE2-NH1 2.87Å; E16-R169 PolarHBondContact OE2-NH1 2.87Å; V163-R169 WeakPolarHBondContact CA-O 3.47Å; S164-R169 PolarHBondContact N-O 3.26Å; T167-R169 PolarHBondContact O-N 3.2Å; T167-R169 VanDerWaalsContact O-N 3.14Å; T167-R169 WeakPolarHBondContact OG1-CB 3.41Å; T167-R169 PolarHBondContact OG1-N 2.94Å; R169-L212 HydrophobicContact CG-CB 4.2Å; R169-W257 HydrophobicContact CB-CH2 3.64Å; R169-W257 HydrophobicContact CB-CZ2 4.25Å; R169-W257 HydrophobicContact CB-CZ3 4.23Å
170G89.5Confident91.6Very high27 Ų2750.1 Ų50.128%0.27828%0.283SS..  trans109.1170.1-178.600000113.1
171P93.3Very high91.4Very high78 Ų7849.1 Ų49.151%0.50627%0.273SS..PPolyproline II helixcis-72.5159-8.832.4-34.2000111.3S160 Y162S160-P171 WeakPolarHBondContact O-CB 3.4Å; Y162-P171 WeakPolarHBondContact O-CA 3.46Å
172L95Very high91.2Very high9 Ų949.2 Ų49.25%0.04728%0.275CS..PPolyproline II helixtrans-83.7131.5175.3-60.8-176.3000110.7P11 I143 V144 P159 W176 F180 W257P11-L172 HydrophobicContact CB-CD2 4.23Å; P11-L172 HydrophobicContact CG-CD1 3.92Å; P11-L172 HydrophobicContact CG-CD2 4.16Å; I143-L172 HydrophobicContact CD1-CD1 3.71Å; I143-L172 HydrophobicContact CG1-CD1 4.3Å; V144-L172 HydrophobicContact CG2-CB 3.61Å; V144-L172 HydrophobicContact CG2-CD1 3.93Å; V144-L172 HydrophobicContact CG2-CG 4.43Å; P159-L172 HydrophobicContact CB-CB 4.37Å; P159-L172 HydrophobicContact CB-CD1 3.62Å; P159-L172 HydrophobicContact CB-CG 4.09Å; P159-L172 PolarHBondContact O-N 2.87Å; L172-W176 HydrophobicContact CB-CB 3.99Å; L172-W176 HydrophobicContact CB-CG 4.15Å; L172-W176 HydrophobicContact CD1-CD2 4.18Å; L172-W176 HydrophobicContact CD1-CG 4.25Å; L172-W176 HydrophobicContact CD2-CB 4.28Å; L172-F180 HydrophobicContact CD2-CE2 4.37Å; L172-F180 HydrophobicContact CD2-CZ 4.28Å; L172-W257 HydrophobicContact CD1-CD2 4.46Å; L172-W257 HydrophobicContact CD1-CZ2 4.16Å; L172-W257 HydrophobicContact CD2-CH2 3.82Å; L172-W257 HydrophobicContact CD2-CZ2 3.49Å; L172-W257 VanDerWaalsContact CD2-CZ2 3.49Å; L172-W257 HydrophobicContact CG-CH2 4.43Å; L172-W257 HydrophobicContact CG-CZ2 3.69Å
173S94.3Very high90.7Very high33 Ų3348.8 Ų48.823%0.23128%0.278CS..PPolyproline II helixtrans-73.9165.1174.685.90000111.6N175 W176 E179S173-N175 PolarHBondContact O-N 3.38Å; S173-N175 VanDerWaalsContact O-N 3.09Å; S173-N175 PolarHBondContact OG-N 3.39Å; S173-W176 WeakPolarHBondContact O-CB 3.3Å; S173-W176 PolarHBondContact O-N 3.14Å; S173-W176 PolarHBondContact OG-N 2.98Å; S173-E179 VanDerWaalsContact CB-OE1 3.25Å; S173-E179 WeakPolarHBondContact CB-OE1 3.45Å; S173-E179 PolarHBondContact OG-OE1 3.19Å
174P93.1Very high90Very high90 Ų9047.6 Ų47.658%0.58427%0.267SS*.THydrogen-bonded Turntrans-59-15.6168.7-25.436000114.6K145K145-P174 WeakPolarHBondContact CE-O 3.47Å; K145-P174 PolarHBondContact NZ-O 2.89Å
175N93.7Very high89.5Confident97 Ų9753.2 Ų53.252%0.51929%0.294SS..THydrogen-bonded Turntrans-118.531.4178.8-61.3-18.6000111.4S173 R177 E178 E179S173-N175 PolarHBondContact O-N 3.38Å; S173-N175 VanDerWaalsContact O-N 3.09Å; S173-N175 PolarHBondContact OG-N 3.39Å; N175-R177 VanDerWaalsContact C-N 3.26Å; N175-R177 PolarHBondContact O-N 2.9Å; N175-E178 VanDerWaalsContact CA-OE2 3.24Å; N175-E178 WeakPolarHBondContact CA-OE2 3.4Å; N175-E178 PolarHBondContact O-N 3.24Å; N175-E179 WeakPolarHBondContact O-CG 3.36Å; N175-E179 PolarHBondContact O-N 3.44Å
176W94.5Very high89Confident2 Ų250.7 Ų50.71%0.00829%0.29CS..Hα-helixtrans-61.3-31.2-173.573.3-88000113.4C9 P11 D142 I143 V144 L172 S173 F180 I216C9-W176 HydrophobicContact CB-CH2 3.82Å; C9-W176 HydrophobicContact CB-CZ2 4.41Å; C9-W176 WeakPolarHBondContact O-CH2 3.37Å; P11-W176 HydrophobicContact CB-CE3 4.09Å; P11-W176 HydrophobicContact CB-CZ3 3.91Å; P11-W176 HydrophobicContact CG-CE3 4.46Å; P11-W176 HydrophobicContact CG-CZ3 4.2Å; D142-W176 PolarHBondContact OD1-NE1 3.36Å; I143-W176 HydrophobicContact CD1-CZ2 4.29Å; I143-W176 HydrophobicContact CG1-CZ2 3.8Å; V144-W176 VanDerWaalsContact CG2-CD1 3.43Å; V144-W176 HydrophobicContact CG2-CG 4.3Å; L172-W176 HydrophobicContact CB-CB 3.99Å; L172-W176 HydrophobicContact CB-CG 4.15Å; L172-W176 HydrophobicContact CD1-CD2 4.18Å; L172-W176 HydrophobicContact CD1-CG 4.25Å; L172-W176 HydrophobicContact CD2-CB 4.28Å; S173-W176 WeakPolarHBondContact O-CB 3.3Å; S173-W176 PolarHBondContact O-N 3.14Å; S173-W176 PolarHBondContact OG-N 2.98Å; W176-F180 HydrophobicContact CE3-CD2 4.47Å; W176-F180 HydrophobicContact CE3-CG 4.48Å; W176-F180 WeakPolarHBondContact O-CB 3.4Å; W176-F180 WeakPolarHBondContact O-CD2 3.47Å; W176-F180 WeakPolarHBondContact O-CG 3.44Å; W176-F180 PolarHBondContact O-N 3.45Å; W176-F180 VanDerWaalsContact O-N 3.08Å; W176-I216 HydrophobicContact CH2-CD1 4.27Å; W176-I216 HydrophobicContact CZ3-CD1 3.83Å; W176-I216 HydrophobicContact CZ3-CG1 4.33Å
177R92.9Very high88.3Confident43 Ų4351.6 Ų51.616%0.16229%0.291CS..Hα-helixtrans-66.5-50.2179.2-68.9-177.663.4-163.1-3.8110.2C9 A119 F140 N175 F180 I181 I216C9-R177 VanDerWaalsContact SG-CZ 3.54Å; C9-R177 PolarHBondContact SG-NE 3.44Å; C9-R177 PolarHBondContact SG-NH2 3.27Å; A119-R177 PolarHBondContact O-NH2 3.35Å; F140-R177 VanDerWaalsContact CE1-NH2 3.29Å; N175-R177 VanDerWaalsContact C-N 3.26Å; N175-R177 PolarHBondContact O-N 2.9Å; R177-F180 PolarHBondContact O-N 3.14Å; R177-F180 VanDerWaalsContact O-N 3.16Å; R177-I181 WeakPolarHBondContact O-CD1 3.2Å; R177-I181 VanDerWaalsContact O-CG1 3.26Å; R177-I181 WeakPolarHBondContact O-CG1 3.45Å; R177-I181 PolarHBondContact O-N 2.63Å; R177-I216 HydrophobicContact CB-CD1 4.48Å; R177-I216 HydrophobicContact CG-CD1 4.47Å
178E92.3Very high87.1Confident84 Ų8459.2 Ų59.239%0.39333%0.326SS..Hα-helixtrans-58.8-48.5178.1-59.680.8177.300110.3K145 N175 F180 I181 D182K145-E178 IonicContact NZ-OE1 3.58Å; K145-E178 IonicContact NZ-OE2 2.62Å; N175-E178 VanDerWaalsContact CA-OE2 3.24Å; N175-E178 WeakPolarHBondContact CA-OE2 3.4Å; N175-E178 PolarHBondContact O-N 3.24Å; E178-F180 VanDerWaalsContact C-N 3.26Å; E178-F180 PolarHBondContact O-N 3.36Å; E178-I181 PolarHBondContact O-N 2.94Å; E178-D182 PolarHBondContact O-N 2.87Å
179E91.7Very high85.7Confident74 Ų7462.7 Ų62.735%0.34634%0.339SS..Hα-helixtrans-60.7-28.4175.7-76.2-177.6-139.800115S173 N175 A183 K214S173-E179 VanDerWaalsContact CB-OE1 3.25Å; S173-E179 WeakPolarHBondContact CB-OE1 3.45Å; S173-E179 PolarHBondContact OG-OE1 3.19Å; N175-E179 WeakPolarHBondContact O-CG 3.36Å; N175-E179 PolarHBondContact O-N 3.44Å; E179-A183 WeakPolarHBondContact O-CB 3.45Å; E179-A183 PolarHBondContact O-N 3.09Å; E179-K214 IonicContact OE2-NZ 2.75Å; E179-K214 PolarHBondContact OE2-NZ 2.99Å
180F92.3Very high83.9Confident15 Ų1567.7 Ų67.77%0.06637%0.371CS..Hα-helixtrans-87.6-33.1-179.5-85.9-124000111.9P11 L172 W176 R177 E178 A183 Q184 K214 R215 I216P11-F180 HydrophobicContact CB-CD1 3.9Å; P11-F180 HydrophobicContact CB-CE1 3.27Å; P11-F180 HydrophobicContact CB-CZ 3.66Å; L172-F180 HydrophobicContact CD2-CE2 4.37Å; L172-F180 HydrophobicContact CD2-CZ 4.28Å; W176-F180 HydrophobicContact CE3-CD2 4.47Å; W176-F180 HydrophobicContact CE3-CG 4.48Å; W176-F180 WeakPolarHBondContact O-CB 3.4Å; W176-F180 WeakPolarHBondContact O-CD2 3.47Å; W176-F180 WeakPolarHBondContact O-CG 3.44Å; W176-F180 PolarHBondContact O-N 3.45Å; W176-F180 VanDerWaalsContact O-N 3.08Å; R177-F180 PolarHBondContact O-N 3.14Å; R177-F180 VanDerWaalsContact O-N 3.16Å; E178-F180 VanDerWaalsContact C-N 3.26Å; E178-F180 PolarHBondContact O-N 3.36Å; F180-A183 PolarHBondContact O-N 3.3Å; F180-Q184 PolarHBondContact O-N 3.11Å; F180-K214 HydrophobicContact CD1-CB 3.78Å; F180-K214 HydrophobicContact CD1-CG 4.25Å; F180-K214 HydrophobicContact CD2-CB 4.13Å; F180-K214 HydrophobicContact CD2-CD 3.63Å; F180-K214 HydrophobicContact CD2-CG 3.91Å; F180-K214 HydrophobicContact CE1-CB 3.9Å; F180-K214 HydrophobicContact CE1-CG 4.03Å; F180-K214 HydrophobicContact CE2-CB 4.28Å; F180-K214 HydrophobicContact CE2-CD 3.69Å; F180-K214 HydrophobicContact CE2-CG 3.7Å; F180-K214 HydrophobicContact CG-CB 3.91Å; F180-K214 HydrophobicContact CG-CD 4.22Å; F180-K214 HydrophobicContact CG-CG 4.21Å; F180-K214 HydrophobicContact CZ-CB 4.17Å; F180-K214 HydrophobicContact CZ-CD 4.29Å; F180-K214 HydrophobicContact CZ-CG 3.77Å; F180-R215 VanDerWaalsContact CD1-O 3.28Å; F180-R215 WeakPolarHBondContact CD1-O 3.29Å; F180-I216 HydrophobicContact CB-CB 4.04Å; F180-I216 HydrophobicContact CB-CD1 4.39Å; F180-I216 HydrophobicContact CB-CG2 4.13Å; F180-I216 HydrophobicContact CD1-CB 4.36Å
181I89.8Confident82.2Confident33 Ų3370.9 Ų70.917%0.16938%0.375CS..Hα-helixtrans-59.7-54.5168.4-68.3160.5000109.3A119 R177 E178 A183 Q184 Q185A119-I181 HydrophobicContact CB-CD1 3.63Å; A119-I181 HydrophobicContact CB-CG1 3.42Å; A119-I181 VanDerWaalsContact CB-CG1 3.42Å; R177-I181 WeakPolarHBondContact O-CD1 3.2Å; R177-I181 VanDerWaalsContact O-CG1 3.26Å; R177-I181 WeakPolarHBondContact O-CG1 3.45Å; R177-I181 PolarHBondContact O-N 2.63Å; E178-I181 PolarHBondContact O-N 2.94Å; I181-A183 VanDerWaalsContact C-N 3.27Å; I181-A183 PolarHBondContact O-N 3.34Å; I181-Q184 PolarHBondContact O-N 2.78Å; I181-Q184 VanDerWaalsContact O-N 3.16Å; I181-Q185 HydrophobicContact CG2-CG 4.4Å; I181-Q185 VanDerWaalsContact CG2-NE2 3.31Å; I181-Q185 WeakPolarHBondContact O-CG 3.37Å; I181-Q185 PolarHBondContact O-N 3.16Å
182D88.2Confident80.2Confident100 Ų10075.3 Ų75.354%0.53539%0.389SS..Hα-helixtrans-55.6-43.5178.8-73.8-9.1000111.2E178 Q185 V186E178-D182 PolarHBondContact O-N 2.87Å; D182-Q185 PolarHBondContact O-N 3.17Å; D182-V186 WeakPolarHBondContact O-CB 3.41Å; D182-V186 VanDerWaalsContact O-CG2 3.27Å; D182-V186 WeakPolarHBondContact O-CG2 3.38Å; D182-V186 PolarHBondContact O-N 3.35Å
183A84.6Confident78.1Confident23 Ų2383.3 Ų83.319%0.1942%0.423CS..Hα-helixtrans-67.6-37.4179.400000113.7E179 F180 I181 T187 K214E179-A183 WeakPolarHBondContact O-CB 3.45Å; E179-A183 PolarHBondContact O-N 3.09Å; F180-A183 PolarHBondContact O-N 3.3Å; I181-A183 VanDerWaalsContact C-N 3.27Å; I181-A183 PolarHBondContact O-N 3.34Å; A183-T187 WeakPolarHBondContact O-CB 3.47Å; A183-T187 VanDerWaalsContact O-CG2 3.31Å; A183-T187 WeakPolarHBondContact O-CG2 3.31Å; A183-T187 PolarHBondContact O-N 2.91Å; A183-T187 PolarHBondContact O-OG1 3.09Å; A183-K214 HydrophobicContact CB-CB 3.6Å; A183-K214 HydrophobicContact CB-CD 3.89Å; A183-K214 HydrophobicContact CB-CG 4.29Å
184Q79.2Confident76Confident47 Ų4785.3 Ų85.322%0.2244%0.436CS..Hα-helixtrans-66.4-44.2171.9-86.4-178.1-20.400111.5F180 I181 V186 H188 I216F180-Q184 PolarHBondContact O-N 3.11Å; I181-Q184 PolarHBondContact O-N 2.78Å; I181-Q184 VanDerWaalsContact O-N 3.16Å; Q184-V186 VanDerWaalsContact C-N 3.32Å; Q184-V186 PolarHBondContact O-N 3.39Å; Q184-H188 PolarHBondContact O-N 2.71Å; Q184-I216 HydrophobicContact CG-CG2 4.45Å; Q184-I216 VanDerWaalsContact NE2-N 3.1Å; Q184-I216 PolarHBondContact NE2-O 3.43Å
185Q79.6Confident74Confident120 Ų12083.7 Ų83.756%0.56143%0.425SS*.Hα-helixtrans-63.8-35.8179.1-70-175.11800112.6I181 D182 H188I181-Q185 HydrophobicContact CG2-CG 4.4Å; I181-Q185 VanDerWaalsContact CG2-NE2 3.31Å; I181-Q185 WeakPolarHBondContact O-CG 3.37Å; I181-Q185 PolarHBondContact O-N 3.16Å; D182-Q185 PolarHBondContact O-N 3.17Å; Q185-H188 PolarHBondContact O-CE1 3.31Å; Q185-H188 PolarHBondContact O-ND1 2.9Å
186V77.4Confident71.9Confident119 Ų11984.5 Ų84.572%0.72143%0.434SS*.Hα-helixtrans-83.8-34.3-179.1171.30000113.4D182 Q184D182-V186 WeakPolarHBondContact O-CB 3.41Å; D182-V186 VanDerWaalsContact O-CG2 3.27Å; D182-V186 WeakPolarHBondContact O-CG2 3.38Å; D182-V186 PolarHBondContact O-N 3.35Å; Q184-V186 VanDerWaalsContact C-N 3.32Å; Q184-V186 PolarHBondContact O-N 3.39Å
187T68.3Low69.8Low58 Ų5890 Ų9036%0.35645%0.454SS..Hα-helixtrans-81.7-33.7-17352.90000114.5A183 E189 R215A183-T187 WeakPolarHBondContact O-CB 3.47Å; A183-T187 VanDerWaalsContact O-CG2 3.31Å; A183-T187 WeakPolarHBondContact O-CG2 3.31Å; A183-T187 PolarHBondContact O-N 2.91Å; A183-T187 PolarHBondContact O-OG1 3.09Å; T187-E189 PolarHBondContact O-N 2.73Å; T187-R215 PolarHBondContact OG1-NH1 3.42Å
188H63.4Low67.6Low163 Ų16392.4 Ų92.476%0.75547%0.474SS*.  trans53.83.7-176.3-62.2-40.7000116.9Q184 Q185 T190Q184-H188 PolarHBondContact O-N 2.71Å; Q185-H188 PolarHBondContact O-CE1 3.31Å; Q185-H188 PolarHBondContact O-ND1 2.9Å; H188-T190 PolarHBondContact O-N 3.18Å
189E56.3Low65.2Low88 Ų88100 Ų10041%0.41150%0.501SS..  trans-70.6115-175.3-75.9171.6166.200112.9T187 H213 R215T187-E189 PolarHBondContact O-N 2.73Å; E189-H213 IonicContact OE1-CE1 3.44Å; E189-H213 PolarHBondContact OE1-CE1 2.75Å; E189-H213 IonicContact OE1-ND1 3.19Å; E189-H213 IonicContact OE2-CE1 3.62Å; E189-H213 PolarHBondContact OE2-CE1 3.47Å; E189-H213 IonicContact OE2-CG 3.18Å; E189-H213 IonicContact OE2-ND1 2.82Å; E189-H213 PolarHBondContact OE2-ND1 2.85Å; E189-R215 PolarHBondContact O-NH2 3.32Å; E189-R215 IonicContact OE2-CZ 3.59Å; E189-R215 IonicContact OE2-NH2 3.2Å; E189-R215 PolarHBondContact OE2-NH2 3.44Å
190T53.6Low63.1Low119 Ų119101 Ų10173%0.7351%0.508SS*.  trans-62.7130.716941.10000112H188 E192H188-T190 PolarHBondContact O-N 3.18Å; T190-E192 PolarHBondContact O-N 3.3Å
191Y52.3Low61Low93 Ų93106.6 Ų106.637%0.36554%0.539SS..  trans-79105.9179.2-176.7-96000111T13 A15 P194T13-Y191 HydrophobicContact CG2-CD2 3.96Å; T13-Y191 HydrophobicContact CG2-CE2 3.83Å; T13-Y191 HydrophobicContact CG2-CG 4.33Å; A15-Y191 HydrophobicContact CB-CE1 4.12Å; Y191-P194 WeakPolarHBondContact OH-CA 3.36Å
192E51.6Low58.7Low171 Ų171108 Ų10880%0.79955%0.552SS**  trans-85.1-17.6-168-67.8-157.6134.100116.3T190T190-E192 PolarHBondContact O-N 3.3Å
193K51.9Low56.3Low177 Ų177109 Ų10977%0.7756%0.564SS**  trans-172.7152.5167.7-106.4140-169.8170.80113.5
194P50.1Low54.2Low76 Ų76111.6 Ų111.649%0.49459%0.586SS.*PPolyproline II helixtrans-67139161.330.5-34000110.7Y191Y191-P194 WeakPolarHBondContact OH-CA 3.36Å
195P50Low52.4Low56 Ų56115.1 Ų115.136%0.36461%0.61SS.*PPolyproline II helixtrans-80.3124.5-178.828.4-29.5000111.6Y264P195-Y264 HydrophobicContact CG-CE1 4.29Å; P195-Y264 HydrophobicContact CG-CE2 3.79Å; P195-Y264 VanDerWaalsContact CG-CZ 3.48Å; P195-Y264 WeakPolarHBondContact CG-OH 3.36Å
196T49.6Very low50.6Low113 Ų113116.6 Ų116.669%0.69363%0.627SS**PPolyproline II helixtrans-79.4142.816848.90000110.7
197R51.6Low48.9Very low118 Ų118118.6 Ų118.645%0.44563%0.629SS.*PPolyproline II helixtrans-54148.7161.4-95.3-177.1177.1147.96.5110.5D261 G265R197-D261 PolarHBondContact NH2-O 3.12Å; R197-G265 PolarHBondContact N-O 3.46Å
198T45.4Very low47.8Very low93 Ų93121.7 Ų121.757%0.57165%0.651SS**PPolyproline II helixtrans-68.6146.8169.854.80000109.8D200T198-D200 WeakPolarHBondContact CB-OD1 3.48Å; T198-D200 PolarHBondContact O-N 3.43Å; T198-D200 PolarHBondContact OG1-OD1 2.86Å
199Y42.6Very low47.5Very low244 Ų244118.7 Ų118.796%0.95764%0.64SS**THydrogen-bonded Turntrans-63.6-5.8-168.9-101.1-91.1000115.7
200D46.6Very low47.8Very low95 Ų95123.3 Ų123.351%0.50866%0.659SS.*THydrogen-bonded Turntrans-108.4-9-166.560.1-24.6000114.2T198 S202T198-D200 WeakPolarHBondContact CB-OD1 3.48Å; T198-D200 PolarHBondContact O-N 3.43Å; T198-D200 PolarHBondContact OG1-OD1 2.86Å; D200-S202 VanDerWaalsContact CG-OG 3.26Å; D200-S202 PolarHBondContact O-N 3.18Å; D200-S202 WeakPolarHBondContact OD2-CB 3.48Å; D200-S202 PolarHBondContact OD2-OG 3.37Å
201N49.1Very low48.4Very low132 Ų132121.6 Ų121.671%0.70665%0.65SS**  trans53.318.8-171.5-74.8-46.6000114.2
202S41.4Very low49.5Very low64 Ų64120.2 Ų120.245%0.44865%0.649SS.*PPolyproline II helixtrans-61.8134.7171.6-65.30000109.1D200 A204D200-S202 VanDerWaalsContact CG-OG 3.26Å; D200-S202 PolarHBondContact O-N 3.18Å; D200-S202 WeakPolarHBondContact OD2-CB 3.48Å; D200-S202 PolarHBondContact OD2-OG 3.37Å; S202-A204 PolarHBondContact O-N 3.18Å; S202-A204 VanDerWaalsContact O-N 3.16Å
203P38.9Very low50.8Low119 Ų119117.4 Ų117.477%0.77364%0.635SS**PPolyproline II helixtrans-61.3123.1166.926.8-32.2000107.6T205P203-T205 PolarHBondContact O-N 2.98Å; P203-T205 VanDerWaalsContact O-N 3.11Å
204A39.4Very low52.4Low79 Ų79112.5 Ų112.565%0.65361%0.614SS**PPolyproline II helixtrans-54122.7172.300000107.9S202 V206S202-A204 PolarHBondContact O-N 3.18Å; S202-A204 VanDerWaalsContact O-N 3.16Å; A204-V206 PolarHBondContact O-N 2.75Å
205T41.5Very low54.3Low121 Ų121110 Ų11074%0.74260%0.595SS**PPolyproline II helixtrans-54.2130.9-176.4420000109.7P203 E207P203-T205 PolarHBondContact O-N 2.98Å; P203-T205 VanDerWaalsContact O-N 3.11Å; T205-E207 PolarHBondContact O-N 2.94Å
206V41.2Very low56.3Low150 Ų150107.4 Ų107.491%0.90958%0.578SS**  trans-74.262.6-168.7-166.90000112A204A204-V206 PolarHBondContact O-N 2.75Å
207E42.4Very low58.5Low161 Ų161102 Ų10275%0.75255%0.545SS*.SBendtrans-76140.7151.3-62.9-161.8139.800108T205 L209T205-E207 PolarHBondContact O-N 2.94Å; E207-L209 PolarHBondContact O-N 2.96Å
208C44.8Very low60.7Low124 Ų12496.4 Ų96.484%0.83852%0.523SS*.  trans-56.699.7-171.3-173.70000112K210C208-K210 PolarHBondContact O-N 3.38Å
209L57.4Low63.1Low100 Ų10092 Ų9252%0.52450%0.496SS..  trans-62109.3178.7-75.6173.7000108.9E207E207-L209 PolarHBondContact O-N 2.96Å
210K61.7Low65.8Low184 Ų18480.3 Ų80.380%0.845%0.451SS*.PPolyproline II helixtrans-60.7133.2170.1-67.4-177.4-178.8177.40108.1C208 L212C208-K210 PolarHBondContact O-N 3.38Å; K210-L212 PolarHBondContact O-N 3.42Å
211P66.4Low68.2Low84 Ų8476.7 Ų76.755%0.54543%0.43SS..PPolyproline II helixtrans-51.3136176.7-27.734.3000111.5G168G168-P211 VanDerWaalsContact O-CB 3.29Å; G168-P211 WeakPolarHBondContact O-CB 3.39Å; G168-P211 WeakPolarHBondContact O-CG 3.14Å
212L76.7Confident70.5Confident64 Ų6470.4 Ų70.434%0.33540%0.397SS..PPolyproline II helixtrans-55.6149.6172.6-63.4172.3000110.8T167 R169 K210 K214 Y264T167-L212 HydrophobicContact CG2-CD1 3.99Å; T167-L212 PolarHBondContact O-N 3.42Å; R169-L212 HydrophobicContact CG-CB 4.2Å; K210-L212 PolarHBondContact O-N 3.42Å; L212-K214 PolarHBondContact O-N 2.92Å; L212-Y264 HydrophobicContact CD1-CE2 3.89Å; L212-Y264 VanDerWaalsContact CD1-OH 3.3Å; L212-Y264 WeakPolarHBondContact CD1-OH 3.36Å
213H78.4Confident73.1Confident112 Ų11267.4 Ų67.452%0.51938%0.375SS..PPolyproline II helixtrans-57.7137-177.2-57.5169.1000111.3E189 R215E189-H213 IonicContact OE1-CE1 3.44Å; E189-H213 PolarHBondContact OE1-CE1 2.75Å; E189-H213 IonicContact OE1-ND1 3.19Å; E189-H213 IonicContact OE2-CE1 3.62Å; E189-H213 PolarHBondContact OE2-CE1 3.47Å; E189-H213 IonicContact OE2-CG 3.18Å; E189-H213 IonicContact OE2-ND1 2.82Å; E189-H213 PolarHBondContact OE2-ND1 2.85Å; H213-R215 PolarHBondContact O-N 2.96Å
214K86.4Confident75.8Confident73 Ų7363.3 Ų63.332%0.31735%0.345SS..PPolyproline II helixtrans-57.6122.1177.3-69-176.3173.8-177.30109.5E179 F180 A183 L212E179-K214 IonicContact OE2-NZ 2.75Å; E179-K214 PolarHBondContact OE2-NZ 2.99Å; F180-K214 HydrophobicContact CD1-CB 3.78Å; F180-K214 HydrophobicContact CD1-CG 4.25Å; F180-K214 HydrophobicContact CD2-CB 4.13Å; F180-K214 HydrophobicContact CD2-CD 3.63Å; F180-K214 HydrophobicContact CD2-CG 3.91Å; F180-K214 HydrophobicContact CE1-CB 3.9Å; F180-K214 HydrophobicContact CE1-CG 4.03Å; F180-K214 HydrophobicContact CE2-CB 4.28Å; F180-K214 HydrophobicContact CE2-CD 3.69Å; F180-K214 HydrophobicContact CE2-CG 3.7Å; F180-K214 HydrophobicContact CG-CB 3.91Å; F180-K214 HydrophobicContact CG-CD 4.22Å; F180-K214 HydrophobicContact CG-CG 4.21Å; F180-K214 HydrophobicContact CZ-CB 4.17Å; F180-K214 HydrophobicContact CZ-CD 4.29Å; F180-K214 HydrophobicContact CZ-CG 3.77Å; A183-K214 HydrophobicContact CB-CB 3.6Å; A183-K214 HydrophobicContact CB-CD 3.89Å; A183-K214 HydrophobicContact CB-CG 4.29Å; L212-K214 PolarHBondContact O-N 2.92Å
215R88.7Confident78.4Confident25 Ų2559.6 Ų59.69%0.09431%0.314CS..  trans-140.8137.1176.7-68.7-62.6-178-88.1-1.8108P11 L12 T13 F180 T187 E189 H213P11-R215 CarbonylContact C-O 3.58Å; P11-R215 VanDerWaalsContact CA-O 3.29Å; P11-R215 WeakPolarHBondContact CA-O 3.14Å; L12-R215 PolarHBondContact N-O 3.47Å; T13-R215 HydrophobicContact CG2-CB 3.86Å; T13-R215 HydrophobicContact CG2-CG 4.03Å; F180-R215 VanDerWaalsContact CD1-O 3.28Å; F180-R215 WeakPolarHBondContact CD1-O 3.29Å; T187-R215 PolarHBondContact OG1-NH1 3.42Å; E189-R215 PolarHBondContact O-NH2 3.32Å; E189-R215 IonicContact OE2-CZ 3.59Å; E189-R215 IonicContact OE2-NH2 3.2Å; E189-R215 PolarHBondContact OE2-NH2 3.44Å; H213-R215 PolarHBondContact O-N 2.96Å
216I92.6Very high80.6Confident0 Ų056 Ų560%029%0.289CS..  trans-126.3141-179.1-178166.3000109.2C9 M10 L12 D117 A119 W176 R177 F180 Q184C9-I216 HydrophobicContact CB-CD1 4.08Å; C9-I216 HydrophobicContact CB-CG1 4.37Å; M10-I216 VanDerWaalsContact O-CA 3.31Å; M10-I216 WeakPolarHBondContact O-CA 3.46Å; L12-I216 CarbonylContact O-C 3.49Å; D117-I216 CarbonylContact C-O 3.6Å; A119-I216 HydrophobicContact CB-CD1 3.92Å; A119-I216 HydrophobicContact CB-CG1 4.45Å; A119-I216 HydrophobicContact CB-CG2 4.42Å; W176-I216 HydrophobicContact CH2-CD1 4.27Å; W176-I216 HydrophobicContact CZ3-CD1 3.83Å; W176-I216 HydrophobicContact CZ3-CG1 4.33Å; R177-I216 HydrophobicContact CB-CD1 4.48Å; R177-I216 HydrophobicContact CG-CD1 4.47Å; F180-I216 HydrophobicContact CB-CB 4.04Å; F180-I216 HydrophobicContact CB-CD1 4.39Å; F180-I216 HydrophobicContact CB-CG2 4.13Å; F180-I216 HydrophobicContact CD1-CB 4.36Å; Q184-I216 HydrophobicContact CG-CG2 4.45Å; Q184-I216 VanDerWaalsContact NE2-N 3.1Å; Q184-I216 PolarHBondContact NE2-O 3.43Å
217M94.9Very high82.6Confident0 Ų048.9 Ų48.90%025%0.245CC..EExtended strand (participates in β ladder)trans-132.1160.1173.666.682.868.700109.4C9 M10 L12 V14 Y17 F115 F116 D118C9-M217 CarbonylContact C-O 3.51Å; C9-M217 WeakPolarHBondContact CA-O 3.34Å; M10-M217 HydrophobicContact CB-CG 4.09Å; M10-M217 HydrophobicContact CB-SD 3.76Å; M10-M217 HydrophobicContact CG-SD 4.12Å; M10-M217 PolarHBondContact N-O 2.88Å; M10-M217 PolarHBondContact O-N 2.99Å; L12-M217 HydrophobicContact CB-CG 4.4Å; L12-M217 WeakPolarHBondContact O-CB 3.43Å; L12-M217 WeakPolarHBondContact O-CG 3.41Å; L12-M217 PolarHBondContact O-N 3.46Å; V14-M217 HydrophobicContact CG2-CB 3.92Å; V14-M217 HydrophobicContact CG2-CE 3.95Å; Y17-M217 HydrophobicContact CD1-CE 3.9Å; Y17-M217 HydrophobicContact CD2-CE 4.11Å; Y17-M217 HydrophobicContact CD2-SD 3.89Å; Y17-M217 HydrophobicContact CG-CE 3.61Å; Y17-M217 HydrophobicContact CG-SD 4Å; F115-M217 HydrophobicContact CB-CE 3.98Å; F115-M217 HydrophobicContact CD1-CE 3.75Å; F115-M217 HydrophobicContact CG-CE 4.28Å; F116-M217 CarbonylContact O-C 3.41Å; F116-M217 VanDerWaalsContact O-CA 3.23Å; F116-M217 WeakPolarHBondContact O-CA 3.47Å; F116-M217 WeakPolarHBondContact O-CB 3.37Å; D118-M217 CarbonylContact O-C 3.02Å; D118-M217 VanDerWaalsContact O-CA 3.25Å; D118-M217 WeakPolarHBondContact O-CA 3.29Å
218C97.3Very high84.3Confident0 Ų048.5 Ų48.50%024%0.237CC..EExtended strand (participates in β ladder)trans-124.2126.9176.4-1730000110.9F115 F116 D118 G120 Y220F115-C218 WeakPolarHBondContact CA-O 3.49Å; F116-C218 PolarHBondContact N-O 3.18Å; F116-C218 PolarHBondContact O-N 3.35Å; D118-C218 PolarHBondContact O-N 3.28Å; D118-C218 VanDerWaalsContact O-N 3.11Å; D118-C218 WeakPolarHBondContact OD1-CB 3.47Å; G120-C218 VanDerWaalsContact CA-SG 3.51Å; C218-Y220 HydrophobicContact CB-CD2 4.01Å; C218-Y220 HydrophobicContact CB-CE2 3.71Å
219A97.5Very high85.4Confident0 Ų043.3 Ų43.30%020%0.2CC..EExtended strand (participates in β ladder)trans-86.6103.3161.700000108.8I8 F115 K221I8-A219 HydrophobicContact CB-CB 4.36Å; I8-A219 PolarHBondContact N-O 3.27Å; I8-A219 PolarHBondContact O-N 2.82Å; F115-A219 HydrophobicContact CD1-CB 3.61Å; F115-A219 HydrophobicContact CE1-CB 3.51Å; A219-K221 HydrophobicContact CB-CG 4.46Å
220Y98.1Very high85.6Confident0 Ų046.2 Ų46.20%020%0.204CC..EExtended strand (participates in β ladder)trans-81.4115.3170.1-73.2-101.4000108.3R7 T113 Y114 F116 D118 G120 E121 Q122 V125 F126 C218R7-Y220 HydrophobicContact CG-CD1 3.98Å; R7-Y220 HydrophobicContact CG-CE1 4.12Å; T113-Y220 WeakPolarHBondContact CA-O 3.43Å; T113-Y220 WeakPolarHBondContact CG2-O 3.36Å; Y114-Y220 PolarHBondContact N-O 3.46Å; Y114-Y220 VanDerWaalsContact N-O 3.08Å; Y114-Y220 PolarHBondContact O-N 3.02Å; F116-Y220 AromaticContact CD2-CD2 3.96Å; F116-Y220 HydrophobicContact CD2-CD2 3.96Å; F116-Y220 AromaticContact CD2-CE2 3.97Å; F116-Y220 HydrophobicContact CD2-CE2 3.97Å; D118-Y220 PolarHBondContact OD1-OH 2.94Å; G120-Y220 WeakPolarHBondContact CA-OH 3.39Å; E121-Y220 PolarHBondContact N-OH 2.71Å; E121-Y220 VanDerWaalsContact N-OH 3.09Å; Q122-Y220 WeakPolarHBondContact CA-OH 3.43Å; Q122-Y220 WeakPolarHBondContact CB-OH 3.44Å; Q122-Y220 PolarHBondContact N-OH 2.75Å; Q122-Y220 WeakPolarHBondContact O-CE1 3.26Å; Q122-Y220 PolarHBondContact O-OH 2.66Å; V125-Y220 HydrophobicContact CG1-CD1 4.27Å; V125-Y220 HydrophobicContact CG1-CE1 4.07Å; V125-Y220 HydrophobicContact CG2-CD1 3.73Å; V125-Y220 HydrophobicContact CG2-CE1 4.35Å; V125-Y220 HydrophobicContact CG2-CG 3.87Å; F126-Y220 WeakPolarHBondContact CZ-O 3.49Å; C218-Y220 HydrophobicContact CB-CD2 4.01Å; C218-Y220 HydrophobicContact CB-CE2 3.71Å
221K97.4Very high86.1Confident19 Ų1940.3 Ų40.38%0.08320%0.196CC..EExtended strand (participates in β ladder)trans-121.697.2-176.1-61.4-163.1163.6-73.10112E5 Y6 I8 E112 T113 A219 C223 M249E5-K221 WeakPolarHBondContact CA-O 3.43Å; Y6-K221 PolarHBondContact N-O 2.8Å; Y6-K221 PolarHBondContact O-N 3.14Å; I8-K221 HydrophobicContact CD1-CD 3.97Å; E112-K221 CarbonylContact O-C 3.6Å; E112-K221 WeakPolarHBondContact O-CA 3.16Å; T113-K221 HydrophobicContact CG2-CG 3.93Å; T113-K221 PolarHBondContact OG1-NZ 3.21Å; A219-K221 HydrophobicContact CB-CG 4.46Å; K221-C223 PolarHBondContact O-N 2.99Å; K221-M249 HydrophobicContact CD-CE 4.01Å; K221-M249 HydrophobicContact CD-SD 4.1Å
222L97.3Very high86.4Confident0 Ų037.3 Ų37.30%018%0.176CC..EExtended strand (participates in β ladder)trans-83114175.2-171.472.4000110.4L3 E5 V111 E112 F126 L128 R136L3-L222 HydrophobicContact CD1-CD1 3.63Å; L3-L222 HydrophobicContact CD1-CD2 4.29Å; L3-L222 HydrophobicContact CD1-CG 3.87Å; L3-L222 HydrophobicContact CG-CD1 4.08Å; E5-L222 HydrophobicContact CB-CD1 3.89Å; E5-L222 HydrophobicContact CG-CD1 4.43Å; V111-L222 WeakPolarHBondContact CA-O 3.44Å; E112-L222 PolarHBondContact N-O 2.83Å; E112-L222 PolarHBondContact O-N 3.49Å; F126-L222 HydrophobicContact CB-CD2 4.05Å; F126-L222 HydrophobicContact CD1-CB 4.04Å; F126-L222 HydrophobicContact CD1-CD2 4.17Å; F126-L222 HydrophobicContact CD2-CB 3.82Å; F126-L222 HydrophobicContact CD2-CD2 4.08Å; F126-L222 HydrophobicContact CD2-CG 4.41Å; F126-L222 HydrophobicContact CE1-CB 3.8Å; F126-L222 HydrophobicContact CE2-CB 3.58Å; F126-L222 HydrophobicContact CG-CB 4.06Å; F126-L222 HydrophobicContact CG-CD2 3.82Å; F126-L222 HydrophobicContact CZ-CB 3.56Å; L128-L222 HydrophobicContact CD1-CD1 4.36Å; L128-L222 HydrophobicContact CD1-CD2 4.23Å; L128-L222 HydrophobicContact CD2-CD2 3.6Å; L128-L222 HydrophobicContact CG-CD2 4.47Å; R136-L222 HydrophobicContact CG-CD1 4.36Å
223C96.8Very high86.7Confident0 Ų037.2 Ų37.20%017%0.174CC..EExtended strand (participates in β ladder)trans-109.9115-178.5-59.20000109.7K4 Y6 K221 H241 L245K4-C223 PolarHBondContact N-O 3.1Å; K4-C223 VanDerWaalsContact N-O 3.12Å; K4-C223 PolarHBondContact O-N 3.15Å; Y6-C223 HydrophobicContact CD2-CB 4.39Å; Y6-C223 HydrophobicContact CE2-CB 4.01Å; K221-C223 PolarHBondContact O-N 2.99Å; C223-H241 PolarHBondContact O-CE1 2.92Å; C223-L245 HydrophobicContact CB-CD1 3.75Å
224R95.6Very high86.9Confident34 Ų3436.2 Ų36.213%0.12818%0.176CC..EExtended strand (participates in β ladder)trans-95.8107.5169.1-72.7174.4-171.898.2-2.1108.1M1 L3 L109 D110 E112 E132M1-R224 HydrophobicContact CE-CG 4.16Å; M1-R224 HydrophobicContact CG-CB 4.39Å; M1-R224 HydrophobicContact SD-CB 3.83Å; M1-R224 HydrophobicContact SD-CG 3.87Å; L3-R224 HydrophobicContact CD1-CG 3.52Å; L109-R224 WeakPolarHBondContact CA-O 3.46Å; D110-R224 HydrophobicContact CB-CB 4.2Å; D110-R224 PolarHBondContact N-O 2.83Å; D110-R224 PolarHBondContact O-N 3.12Å; D110-R224 IonicContact OD2-NH1 2.77Å; E112-R224 IonicContact OE2-CZ 2.76Å; E112-R224 IonicContact OE2-NH1 3.75Å; E112-R224 PolarHBondContact OE2-NH1 2.99Å; E112-R224 IonicContact OE2-NH2 3.85Å; E132-R224 IonicContact OE1-CZ 3.85Å; E132-R224 VanDerWaalsContact OE1-CZ 3.31Å; E132-R224 IonicContact OE1-NE 2.75Å; E132-R224 PolarHBondContact OE1-NE 3.02Å; E132-R224 IonicContact OE1-NH2 2.86Å; E132-R224 PolarHBondContact OE1-NH2 2.92Å
225V92.5Very high86.7Confident0 Ų040.2 Ų40.20%019%0.189CC..EExtended strand (participates in β ladder)trans-105116.9172.4-174.90000109M1 L2 L109 E237 I240 H241 L245M1-V225 CarbonylContact C-O 3.58Å; M1-V225 WeakPolarHBondContact CA-O 3.3Å; L2-V225 PolarHBondContact N-O 2.82Å; L2-V225 PolarHBondContact O-N 3.33Å; L109-V225 HydrophobicContact CD1-CG2 3.79Å; V225-E237 HydrophobicContact CG1-CB 4.32Å; V225-E237 HydrophobicContact CG1-CG 4.1Å; V225-I240 HydrophobicContact CG1-CB 4.02Å; V225-I240 HydrophobicContact CG1-CD1 3.73Å; V225-I240 HydrophobicContact CG1-CG1 4.49Å; V225-I240 HydrophobicContact CG1-CG2 3.93Å; V225-I240 HydrophobicContact CG2-CB 4.36Å; V225-I240 HydrophobicContact CG2-CG2 3.66Å; V225-H241 VanDerWaalsContact CG2-NE2 3.29Å; V225-H241 WeakPolarHBondContact CG2-NE2 3.25Å; V225-L245 HydrophobicContact CG2-CD1 4.13Å
226E88.7Confident86.5Confident47 Ų4739.1 Ų39.122%0.2219%0.185CC..EExtended strand (participates in β ladder)trans-115.5113.9172.6175.2143.8-118.900111.2M1 L107 V108 R228M1-E226 HydrophobicContact CB-CB 4.07Å; M1-E226 HydrophobicContact CG-CB 4.21Å; L107-E226 WeakPolarHBondContact CA-O 3.33Å; V108-E226 PolarHBondContact N-O 3.18Å; V108-E226 PolarHBondContact O-N 3.06Å; E226-R228 HydrophobicContact CG-CG 3.72Å; E226-R228 IonicContact OE1-CZ 3.84Å; E226-R228 IonicContact OE1-NE 2.71Å; E226-R228 PolarHBondContact OE1-NE 2.85Å; E226-R228 IonicContact OE1-NH2 2.77Å; E226-R228 PolarHBondContact OE1-NH2 2.91Å; E226-R228 IonicContact OE2-CZ 3.87Å; E226-R228 VanDerWaalsContact OE2-CZ 3.22Å; E226-R228 IonicContact OE2-NE 2.65Å; E226-R228 PolarHBondContact OE2-NE 2.77Å; E226-R228 VanDerWaalsContact OE2-NE 3.15Å; E226-R228 IonicContact OE2-NH2 2.65Å; E226-R228 PolarHBondContact OE2-NH2 3.26Å
227F83.9Confident86.3Confident0 Ų039.7 Ų39.70%019%0.188CC..EExtended strand (participates in β ladder)trans-119.290171.6-167-123.7000111.8L77 K106 L107 Y229 Q233 V236 E237L77-F227 HydrophobicContact CD2-CE2 4.02Å; L77-F227 HydrophobicContact CD2-CZ 4.04Å; K106-F227 CarbonylContact O-C 3.56Å; K106-F227 WeakPolarHBondContact O-CA 3.43Å; K106-F227 VanDerWaalsContact O-CD2 3.31Å; K106-F227 WeakPolarHBondContact O-CD2 3.34Å; L107-F227 HydrophobicContact CB-CD2 3.8Å; L107-F227 HydrophobicContact CB-CE2 4.11Å; L107-F227 HydrophobicContact CD1-CB 4.32Å; L107-F227 HydrophobicContact CD1-CD2 3.78Å; L107-F227 HydrophobicContact CD1-CG 4.45Å; L107-F227 HydrophobicContact CD2-CD2 4.35Å; L107-F227 HydrophobicContact CD2-CE2 4.38Å; L107-F227 HydrophobicContact CG-CD2 4.16Å; F227-Y229 HydrophobicContact CE1-CD2 4.04Å; F227-Y229 AromaticContact CE1-CG 3.86Å; F227-Y229 HydrophobicContact CE1-CG 3.86Å; F227-Y229 HydrophobicContact CE2-CD2 4.08Å; F227-Y229 AromaticContact CZ-CD2 3.48Å; F227-Y229 HydrophobicContact CZ-CD2 3.48Å; F227-Y229 VanDerWaalsContact CZ-CD2 3.48Å; F227-Y229 HydrophobicContact CZ-CE2 4.41Å; F227-Y229 AromaticContact CZ-CG 3.8Å; F227-Y229 HydrophobicContact CZ-CG 3.8Å; F227-Y229 PolarHBondContact O-N 2.81Å; F227-Q233 WeakPolarHBondContact O-CA 3.49Å; F227-Q233 WeakPolarHBondContact O-CB 3.42Å; F227-Q233 WeakPolarHBondContact O-CG 3.39Å; F227-Q233 PolarHBondContact O-NE2 2.84Å; F227-V236 HydrophobicContact CB-CG1 4.3Å; F227-V236 HydrophobicContact CD1-CB 3.4Å; F227-V236 HydrophobicContact CD1-CG1 3.55Å; F227-V236 HydrophobicContact CD1-CG2 3.88Å; F227-V236 HydrophobicContact CD2-CG1 4.27Å; F227-V236 HydrophobicContact CE1-CB 3.68Å; F227-V236 HydrophobicContact CE1-CG1 3.76Å; F227-V236 HydrophobicContact CE1-CG2 3.63Å; F227-V236 HydrophobicContact CE2-CG1 4.47Å; F227-V236 HydrophobicContact CG-CB 4.08Å; F227-V236 HydrophobicContact CG-CG1 3.79Å; F227-V236 HydrophobicContact CZ-CG1 4.22Å; F227-V236 HydrophobicContact CZ-CG2 4.48Å; F227-E237 HydrophobicContact CB-CG 3.88Å; F227-E237 PolarHBondContact N-OE1 3.29Å
228R77.4Confident86.1Confident153 Ų15344 Ų4458%0.57721%0.208SC*.  trans-77.449.3-178.1-62.6-174.7-179.9166.89.8113K106 E226K106-R228 HydrophobicContact CB-CB 4.05Å; K106-R228 HydrophobicContact CG-CB 4.38Å; K106-R228 PolarHBondContact O-N 2.79Å; E226-R228 HydrophobicContact CG-CG 3.72Å; E226-R228 IonicContact OE1-CZ 3.84Å; E226-R228 IonicContact OE1-NE 2.71Å; E226-R228 PolarHBondContact OE1-NE 2.85Å; E226-R228 IonicContact OE1-NH2 2.77Å; E226-R228 PolarHBondContact OE1-NH2 2.91Å; E226-R228 IonicContact OE2-CZ 3.87Å; E226-R228 VanDerWaalsContact OE2-CZ 3.22Å; E226-R228 IonicContact OE2-NE 2.65Å; E226-R228 PolarHBondContact OE2-NE 2.77Å; E226-R228 VanDerWaalsContact OE2-NE 3.15Å; E226-R228 IonicContact OE2-NH2 2.65Å; E226-R228 PolarHBondContact OE2-NH2 3.26Å
229Y67.5Low85.6Confident15 Ų1545.6 Ų45.66%0.05922%0.215CC..  trans-113.8120.2179.6-151.7-54.2000110.4I76 F227 T232 Q233 L1018 L1020I76-Y229 HydrophobicContact CG2-CD2 4.29Å; I76-Y229 HydrophobicContact CG2-CE1 4.29Å; I76-Y229 HydrophobicContact CG2-CE2 3.84Å; I76-Y229 PolarHBondContact O-OH 2.85Å; I76-Y229 VanDerWaalsContact O-OH 3.08Å; F227-Y229 HydrophobicContact CE1-CD2 4.04Å; F227-Y229 AromaticContact CE1-CG 3.86Å; F227-Y229 HydrophobicContact CE1-CG 3.86Å; F227-Y229 HydrophobicContact CE2-CD2 4.08Å; F227-Y229 AromaticContact CZ-CD2 3.48Å; F227-Y229 HydrophobicContact CZ-CD2 3.48Å; F227-Y229 VanDerWaalsContact CZ-CD2 3.48Å; F227-Y229 HydrophobicContact CZ-CE2 4.41Å; F227-Y229 AromaticContact CZ-CG 3.8Å; F227-Y229 HydrophobicContact CZ-CG 3.8Å; F227-Y229 PolarHBondContact O-N 2.81Å; Y229-T232 WeakPolarHBondContact CD1-OG1 3.44Å; Y229-T232 PolarHBondContact O-N 2.82Å; Y229-T232 PolarHBondContact O-OG1 3.23Å; Y229-Q233 WeakPolarHBondContact O-CB 3.4Å; Y229-Q233 PolarHBondContact O-N 2.84Å; Y229-L1018 HydrophobicContact CE1-CB 3.83Å; Y229-L1018 HydrophobicContact CE1-CD1 3.56Å; Y229-L1018 HydrophobicContact CE1-CG 4.33Å; Y229-L1020 HydrophobicContact CE1-CD2 4.44Å; Y229-L1020 HydrophobicContact CE2-CD2 3.83Å
230W61.5Low85.2Confident160 Ų16046.5 Ų46.561%0.60622%0.219SC*.THydrogen-bonded Turntrans-64.2142.6-174.9-177.368.8000113T232 L1169W230-T232 PolarHBondContact O-N 3.09Å; W230-L1169 HydrophobicContact CE3-CD1 3.95Å; W230-L1169 HydrophobicContact CE3-CG 4.47Å; W230-L1169 HydrophobicContact CH2-CB 3.43Å; W230-L1169 VanDerWaalsContact CH2-CB 3.43Å; W230-L1169 HydrophobicContact CH2-CD1 4.03Å; W230-L1169 HydrophobicContact CH2-CG 3.8Å; W230-L1169 HydrophobicContact CZ2-CB 4Å; W230-L1169 HydrophobicContact CZ3-CB 3.87Å; W230-L1169 HydrophobicContact CZ3-CD1 3.64Å; W230-L1169 HydrophobicContact CZ3-CG 3.67Å
231G72.4Confident84.9Confident61 Ų6146.5 Ų46.563%0.62922%0.219SC*.THydrogen-bonded Turntrans70.9-14.2-177.500000115.7
232T74Confident84.5Confident20 Ų2048.9 Ų48.912%0.12323%0.233CC..THydrogen-bonded Turntrans-124-18-175.451.10000114I76 Y229 W230 T234 R235 V236I76-T232 HydrophobicContact CD1-CG2 3.87Å; Y229-T232 WeakPolarHBondContact CD1-OG1 3.44Å; Y229-T232 PolarHBondContact O-N 2.82Å; Y229-T232 PolarHBondContact O-OG1 3.23Å; W230-T232 PolarHBondContact O-N 3.09Å; T232-T234 PolarHBondContact O-N 3.2Å; T232-R235 PolarHBondContact O-N 2.78Å; T232-R235 VanDerWaalsContact O-N 3.08Å; T232-V236 PolarHBondContact O-N 3.44Å
233Q81.6Confident83.9Confident62 Ų6251.2 Ų51.229%0.2925%0.247SC..Hα-helixtrans-35.1-71.3177.8176.6152.124.600113.5F227 Y229 R235 V236 E237F227-Q233 WeakPolarHBondContact O-CA 3.49Å; F227-Q233 WeakPolarHBondContact O-CB 3.42Å; F227-Q233 WeakPolarHBondContact O-CG 3.39Å; F227-Q233 PolarHBondContact O-NE2 2.84Å; Y229-Q233 WeakPolarHBondContact O-CB 3.4Å; Y229-Q233 PolarHBondContact O-N 2.84Å; Q233-R235 VanDerWaalsContact C-N 3.27Å; Q233-R235 PolarHBondContact O-N 2.8Å; Q233-V236 PolarHBondContact O-N 2.71Å; Q233-V236 VanDerWaalsContact O-N 3.13Å; Q233-E237 HydrophobicContact CG-CG 4.24Å; Q233-E237 WeakPolarHBondContact CG-OE2 3.39Å; Q233-E237 PolarHBondContact NE2-OE1 3.26Å; Q233-E237 WeakPolarHBondContact O-CB 3.36Å; Q233-E237 WeakPolarHBondContact O-CG 3.25Å; Q233-E237 PolarHBondContact O-N 2.83Å
234T83.9Confident83.3Confident92 Ų9252.3 Ų52.356%0.56426%0.256SS*.Hα-helixtrans-58.9-38.1-174.4-46.60000112.6T232 Q238T232-T234 PolarHBondContact O-N 3.2Å; T234-Q238 HydrophobicContact CG2-CG 4.5Å; T234-Q238 WeakPolarHBondContact O-CB 3.47Å; T234-Q238 WeakPolarHBondContact O-CG 3.33Å; T234-Q238 PolarHBondContact O-N 2.76Å; T234-Q238 PolarHBondContact O-OE1 3.35Å
235R81.9Confident83.2Confident156 Ų15651.4 Ų51.459%0.58925%0.254SS*.Hα-helixtrans-70.2-34.8-179.7-177.4177174.6163.11.4112.4W72 T232 Q233 F239W72-R235 HydrophobicContact CH2-CG 4Å; W72-R235 HydrophobicContact CZ3-CG 4.34Å; T232-R235 PolarHBondContact O-N 2.78Å; T232-R235 VanDerWaalsContact O-N 3.08Å; Q233-R235 VanDerWaalsContact C-N 3.27Å; Q233-R235 PolarHBondContact O-N 2.8Å; R235-F239 WeakPolarHBondContact O-CB 3.26Å; R235-F239 PolarHBondContact O-N 2.94Å
236V83.1Confident83.2Confident2 Ų253.9 Ų53.91%0.01226%0.263CS..Hα-helixtrans-84.5-38.6178.8174.90000111.2W72 L73 F227 T232 Q233 Q238 F239 I240W72-V236 HydrophobicContact CH2-CG2 3.86Å; W72-V236 HydrophobicContact CZ3-CG2 3.97Å; L73-V236 HydrophobicContact CD1-CG1 4.25Å; L73-V236 HydrophobicContact CD1-CG2 3.92Å; F227-V236 HydrophobicContact CB-CG1 4.3Å; F227-V236 HydrophobicContact CD1-CB 3.4Å; F227-V236 HydrophobicContact CD1-CG1 3.55Å; F227-V236 HydrophobicContact CD1-CG2 3.88Å; F227-V236 HydrophobicContact CD2-CG1 4.27Å; F227-V236 HydrophobicContact CE1-CB 3.68Å; F227-V236 HydrophobicContact CE1-CG1 3.76Å; F227-V236 HydrophobicContact CE1-CG2 3.63Å; F227-V236 HydrophobicContact CE2-CG1 4.47Å; F227-V236 HydrophobicContact CG-CB 4.08Å; F227-V236 HydrophobicContact CG-CG1 3.79Å; F227-V236 HydrophobicContact CZ-CG1 4.22Å; F227-V236 HydrophobicContact CZ-CG2 4.48Å; T232-V236 PolarHBondContact O-N 3.44Å; Q233-V236 PolarHBondContact O-N 2.71Å; Q233-V236 VanDerWaalsContact O-N 3.13Å; V236-Q238 VanDerWaalsContact C-N 3.32Å; V236-Q238 PolarHBondContact O-N 2.75Å; V236-F239 PolarHBondContact O-N 2.9Å; V236-I240 HydrophobicContact CG1-CD1 3.81Å; V236-I240 HydrophobicContact CG1-CG1 4.32Å; V236-I240 WeakPolarHBondContact O-CB 3.41Å; V236-I240 VanDerWaalsContact O-CG1 3.26Å; V236-I240 WeakPolarHBondContact O-CG1 3.36Å; V236-I240 PolarHBondContact O-N 3.13Å
237E89.3Confident83.3Confident13 Ų1355.1 Ų55.16%0.06127%0.268CS..Hα-helixtrans-56.9-46.8169.2-70.1179.9164.400110M1 L2 V225 F227 Q233 H241M1-E237 VanDerWaalsContact CA-OE1 3.24Å; M1-E237 WeakPolarHBondContact CA-OE1 3.33Å; M1-E237 PolarHBondContact N-OE1 3.11Å; L2-E237 HydrophobicContact CB-CB 3.96Å; L2-E237 HydrophobicContact CD2-CB 4.36Å; V225-E237 HydrophobicContact CG1-CB 4.32Å; V225-E237 HydrophobicContact CG1-CG 4.1Å; F227-E237 HydrophobicContact CB-CG 3.88Å; F227-E237 PolarHBondContact N-OE1 3.29Å; Q233-E237 HydrophobicContact CG-CG 4.24Å; Q233-E237 WeakPolarHBondContact CG-OE2 3.39Å; Q233-E237 PolarHBondContact NE2-OE1 3.26Å; Q233-E237 WeakPolarHBondContact O-CB 3.36Å; Q233-E237 WeakPolarHBondContact O-CG 3.25Å; Q233-E237 PolarHBondContact O-N 2.83Å; E237-H241 PolarHBondContact O-CD2 2.91Å; E237-H241 VanDerWaalsContact O-CD2 3.23Å; E237-H241 PolarHBondContact O-N 3.36Å
238Q89.8Confident83.5Confident91 Ų9157.2 Ų57.243%0.42528%0.281SS..Hα-helixtrans-64.2-46.3172.8-74.7170.1-20.500113.1L2 T234 V236 I240 H241 D242L2-Q238 HydrophobicContact CD2-CG 4.13Å; T234-Q238 HydrophobicContact CG2-CG 4.5Å; T234-Q238 WeakPolarHBondContact O-CB 3.47Å; T234-Q238 WeakPolarHBondContact O-CG 3.33Å; T234-Q238 PolarHBondContact O-N 2.76Å; T234-Q238 PolarHBondContact O-OE1 3.35Å; V236-Q238 VanDerWaalsContact C-N 3.32Å; V236-Q238 PolarHBondContact O-N 2.75Å; Q238-I240 VanDerWaalsContact C-N 3.32Å; Q238-I240 PolarHBondContact O-N 3.44Å; Q238-H241 PolarHBondContact O-N 2.88Å; Q238-D242 WeakPolarHBondContact O-CB 3.47Å; Q238-D242 VanDerWaalsContact O-CG 3.32Å; Q238-D242 PolarHBondContact O-N 3.2Å
239F88Confident84.3Confident33 Ų3350.9 Ų50.915%0.14526%0.258CS..Hα-helixtrans-59-42.4178169.6-97.1000112.3P70 W72 L73 R235 V236 T243 A244P70-F239 HydrophobicContact CG-CE2 3.98Å; P70-F239 HydrophobicContact CG-CZ 3.6Å; W72-F239 HydrophobicContact CH2-CB 4.39Å; W72-F239 HydrophobicContact CZ2-CB 4.18Å; W72-F239 HydrophobicContact CZ2-CD1 4.46Å; W72-F239 HydrophobicContact CZ2-CD2 4.06Å; W72-F239 AromaticContact CZ2-CG 3.95Å; W72-F239 HydrophobicContact CZ2-CG 3.95Å; L73-F239 HydrophobicContact CD2-CD1 3.87Å; L73-F239 HydrophobicContact CD2-CE1 3.68Å; R235-F239 WeakPolarHBondContact O-CB 3.26Å; R235-F239 PolarHBondContact O-N 2.94Å; V236-F239 PolarHBondContact O-N 2.9Å; F239-T243 HydrophobicContact CD2-CG2 4.4Å; F239-T243 HydrophobicContact CE2-CG2 3.71Å; F239-T243 HydrophobicContact CZ-CG2 4.15Å; F239-T243 WeakPolarHBondContact O-CA 3.42Å; F239-T243 VanDerWaalsContact O-CB 3.25Å; F239-T243 WeakPolarHBondContact O-CB 3.44Å; F239-T243 PolarHBondContact O-N 2.87Å; F239-A244 PolarHBondContact O-N 3.35Å
240I88.4Confident85.6Confident19 Ų1950.5 Ų50.510%0.09726%0.257CS..Iπ-helixtrans-63.4-48.7176.4-68.5166.2000109.6L107 L109 V225 V236 Q238 A244 L245L107-I240 HydrophobicContact CD1-CD1 3.83Å; L109-I240 HydrophobicContact CD2-CG2 4.48Å; V225-I240 HydrophobicContact CG1-CB 4.02Å; V225-I240 HydrophobicContact CG1-CD1 3.73Å; V225-I240 HydrophobicContact CG1-CG1 4.49Å; V225-I240 HydrophobicContact CG1-CG2 3.93Å; V225-I240 HydrophobicContact CG2-CB 4.36Å; V225-I240 HydrophobicContact CG2-CG2 3.66Å; V236-I240 HydrophobicContact CG1-CD1 3.81Å; V236-I240 HydrophobicContact CG1-CG1 4.32Å; V236-I240 WeakPolarHBondContact O-CB 3.41Å; V236-I240 VanDerWaalsContact O-CG1 3.26Å; V236-I240 WeakPolarHBondContact O-CG1 3.36Å; V236-I240 PolarHBondContact O-N 3.13Å; Q238-I240 VanDerWaalsContact C-N 3.32Å; Q238-I240 PolarHBondContact O-N 3.44Å; I240-A244 CarbonylContact O-C 3.5Å; I240-A244 WeakPolarHBondContact O-CB 3.49Å; I240-A244 PolarHBondContact O-N 3.47Å; I240-A244 VanDerWaalsContact O-N 3.15Å; I240-L245 HydrophobicContact CG2-CD1 4.19Å; I240-L245 HydrophobicContact CG2-CG 4.16Å; I240-L245 WeakPolarHBondContact O-CB 3.42Å; I240-L245 WeakPolarHBondContact O-CG 3.47Å; I240-L245 PolarHBondContact O-N 2.83Å
241H93Very high87Confident0 Ų043.8 Ų43.80%023%0.231CC..Iπ-helixtrans-61.4-49.5177.4-87.1-70.4000113.8L2 K4 Y6 C223 V225 E237 Q238 R246L2-H241 PolarHBondContact O-NE2 3.15Å; K4-H241 HydrophobicContact CD-CB 4.07Å; K4-H241 WeakPolarHBondContact CG-ND1 3.42Å; Y6-H241 AromaticContact CE2-ND1 3.82Å; Y6-H241 AromaticContact CZ-ND1 3.75Å; Y6-H241 VanDerWaalsContact OH-C 3.32Å; Y6-H241 WeakPolarHBondContact OH-CA 3.41Å; Y6-H241 WeakPolarHBondContact OH-CB 3.44Å; Y6-H241 PolarHBondContact OH-ND1 3.44Å; Y6-H241 PolarHBondContact OH-O 3.26Å; C223-H241 PolarHBondContact O-CE1 2.92Å; V225-H241 VanDerWaalsContact CG2-NE2 3.29Å; V225-H241 WeakPolarHBondContact CG2-NE2 3.25Å; E237-H241 PolarHBondContact O-CD2 2.91Å; E237-H241 VanDerWaalsContact O-CD2 3.23Å; E237-H241 PolarHBondContact O-N 3.36Å; Q238-H241 PolarHBondContact O-N 2.88Å; H241-R246 VanDerWaalsContact O-CB 3.29Å; H241-R246 WeakPolarHBondContact O-CB 3.47Å; H241-R246 PolarHBondContact O-N 2.95Å
242D88.8Confident87.9Confident69 Ų6941.3 Ų41.337%0.36921%0.205SC..Iπ-helixtrans-91.2-25.2-165-57.9-21.3000112.3K4 Q238K4-D242 IonicContact NZ-OD1 3.19Å; K4-D242 PolarHBondContact NZ-OD1 2.97Å; Q238-D242 WeakPolarHBondContact O-CB 3.47Å; Q238-D242 VanDerWaalsContact O-CG 3.32Å; Q238-D242 PolarHBondContact O-N 3.2Å
243T84.2Confident88.9Confident49 Ų4940.6 Ų40.630%0.30120%0.2SC..Iπ-helixtrans-107.2-61.9175.7-51.70000111.9F239 L245 K247F239-T243 HydrophobicContact CD2-CG2 4.4Å; F239-T243 HydrophobicContact CE2-CG2 3.71Å; F239-T243 HydrophobicContact CZ-CG2 4.15Å; F239-T243 WeakPolarHBondContact O-CA 3.42Å; F239-T243 VanDerWaalsContact O-CB 3.25Å; F239-T243 WeakPolarHBondContact O-CB 3.44Å; F239-T243 PolarHBondContact O-N 2.87Å; T243-L245 PolarHBondContact O-N 3.03Å; T243-K247 WeakPolarHBondContact O-CB 3.47Å
244A84.8Confident89.5Confident22 Ų2238 Ų3818%0.18219%0.188CC..Iπ-helixtrans-72-30.2-169.700000113.9F239 I240 T248F239-A244 PolarHBondContact O-N 3.35Å; I240-A244 CarbonylContact O-C 3.5Å; I240-A244 WeakPolarHBondContact O-CB 3.49Å; I240-A244 PolarHBondContact O-N 3.47Å; I240-A244 VanDerWaalsContact O-N 3.15Å; A244-T248 VanDerWaalsContact O-CB 3.23Å; A244-T248 WeakPolarHBondContact O-CB 3.47Å; A244-T248 PolarHBondContact O-OG1 3.28Å
245L91.7Very high90Very high16 Ų1633.7 Ų33.78%0.08416%0.161CC..Iπ-helixtrans-94.7-68.5175.7-63.2177.5000111.3Y6 L109 C223 V225 I240 T243 K247 T248 M249Y6-L245 HydrophobicContact CE2-CB 4.29Å; Y6-L245 HydrophobicContact CE2-CD1 4.23Å; L109-L245 HydrophobicContact CD1-CD1 3.89Å; L109-L245 HydrophobicContact CD1-CD2 4.18Å; L109-L245 HydrophobicContact CD2-CD2 4.05Å; C223-L245 HydrophobicContact CB-CD1 3.75Å; V225-L245 HydrophobicContact CG2-CD1 4.13Å; I240-L245 HydrophobicContact CG2-CD1 4.19Å; I240-L245 HydrophobicContact CG2-CG 4.16Å; I240-L245 WeakPolarHBondContact O-CB 3.42Å; I240-L245 WeakPolarHBondContact O-CG 3.47Å; I240-L245 PolarHBondContact O-N 2.83Å; T243-L245 PolarHBondContact O-N 3.03Å; L245-K247 PolarHBondContact O-N 2.82Å; L245-T248 PolarHBondContact O-N 3.29Å; L245-M249 HydrophobicContact CB-CE 4.14Å; L245-M249 HydrophobicContact CD2-CE 4.06Å; L245-M249 WeakPolarHBondContact O-CB 3.23Å; L245-M249 VanDerWaalsContact O-CG 3.29Å; L245-M249 WeakPolarHBondContact O-CG 3.49Å; L245-M249 PolarHBondContact O-N 3.06Å
246R93.9Very high90.6Very high51 Ų5126.2 Ų26.219%0.19213%0.133CC..Hα-helixtrans-59.4-47.2-166.7-162.8-174.5-165.3-67.5-5.3113.7Y6 D139 F140 I141 D146 H241 M249 L250Y6-R246 HydrophobicContact CD1-CG 4.32Å; Y6-R246 HydrophobicContact CE1-CB 3.87Å; Y6-R246 HydrophobicContact CE1-CG 3.86Å; D139-R246 VanDerWaalsContact CG-NE 3.31Å; D139-R246 IonicContact OD1-CZ 3.19Å; D139-R246 VanDerWaalsContact OD1-CZ 3.32Å; D139-R246 IonicContact OD1-NE 3.55Å; D139-R246 PolarHBondContact OD1-NE 2.69Å; D139-R246 IonicContact OD1-NH2 2.68Å; D139-R246 PolarHBondContact OD1-NH2 3.19Å; D139-R246 WeakPolarHBondContact OD2-CD 3.42Å; D139-R246 IonicContact OD2-CZ 2.62Å; D139-R246 IonicContact OD2-NE 3.67Å; D139-R246 PolarHBondContact OD2-NE 3Å; F140-R246 PolarHBondContact O-NH2 3.08Å; I141-R246 HydrophobicContact CD1-CG 3.84Å; I141-R246 HydrophobicContact CG1-CG 4.14Å; D146-R246 IonicContact OD1-NH2 3.08Å; D146-R246 IonicContact OD2-CZ 3.21Å; D146-R246 VanDerWaalsContact OD2-CZ 3.29Å; D146-R246 IonicContact OD2-NH1 2.68Å; D146-R246 PolarHBondContact OD2-NH1 3.28Å; D146-R246 IonicContact OD2-NH2 2.78Å; D146-R246 PolarHBondContact OD2-NH2 3.2Å; H241-R246 VanDerWaalsContact O-CB 3.29Å; H241-R246 WeakPolarHBondContact O-CB 3.47Å; H241-R246 PolarHBondContact O-N 2.95Å; R246-M249 PolarHBondContact O-N 3.1Å; R246-L250 WeakPolarHBondContact O-CB 3.49Å; R246-L250 PolarHBondContact O-N 3.19Å
247K90.1Very high91.2Very high74 Ų7426.2 Ų26.232%0.32213%0.133SC..Hα-helixtrans-65.3-45.5177.5-70.4-168.3170.2-160.10112T149 T243 L245 M249 L250 R251T149-K247 PolarHBondContact OG1-NZ 3.22Å; T243-K247 WeakPolarHBondContact O-CB 3.47Å; L245-K247 PolarHBondContact O-N 2.82Å; K247-M249 VanDerWaalsContact C-N 3.31Å; K247-M249 PolarHBondContact O-N 3.33Å; K247-L250 PolarHBondContact O-N 3.37Å; K247-R251 PolarHBondContact O-N 3.43Å
248T88.7Confident91.4Very high44 Ų4426.1 Ų26.127%0.2713%0.134SC..Hα-helixtrans-59.5-44178.3-50.60000110.8A244 L245 A252A244-T248 VanDerWaalsContact O-CB 3.23Å; A244-T248 WeakPolarHBondContact O-CB 3.47Å; A244-T248 PolarHBondContact O-OG1 3.28Å; L245-T248 PolarHBondContact O-N 3.29Å; T248-A252 WeakPolarHBondContact O-CB 3.44Å; T248-A252 PolarHBondContact O-N 3.25Å
249M93.6Very high91.6Very high20 Ų2022.9 Ų22.910%0.09912%0.118CC..Hα-helixtrans-61.8-52174.6-72.9178.9-171.900111.8Y6 I8 I141 K221 L245 R246 K247 R251 A252 H253Y6-M249 HydrophobicContact CD2-CE 4.25Å; Y6-M249 HydrophobicContact CD2-SD 3.96Å; Y6-M249 HydrophobicContact CE2-SD 4.49Å; Y6-M249 HydrophobicContact CG-SD 4.06Å; I8-M249 HydrophobicContact CD1-CB 3.91Å; I8-M249 HydrophobicContact CD1-CG 4.18Å; I8-M249 HydrophobicContact CD1-SD 3.91Å; I141-M249 HydrophobicContact CD1-CB 3.75Å; I141-M249 HydrophobicContact CD1-SD 4.26Å; K221-M249 HydrophobicContact CD-CE 4.01Å; K221-M249 HydrophobicContact CD-SD 4.1Å; L245-M249 HydrophobicContact CB-CE 4.14Å; L245-M249 HydrophobicContact CD2-CE 4.06Å; L245-M249 WeakPolarHBondContact O-CB 3.23Å; L245-M249 VanDerWaalsContact O-CG 3.29Å; L245-M249 WeakPolarHBondContact O-CG 3.49Å; L245-M249 PolarHBondContact O-N 3.06Å; R246-M249 PolarHBondContact O-N 3.1Å; K247-M249 VanDerWaalsContact C-N 3.31Å; K247-M249 PolarHBondContact O-N 3.33Å; M249-R251 PolarHBondContact O-N 3.34Å; M249-A252 PolarHBondContact O-N 3.35Å; M249-H253 PolarHBondContact O-N 3.02Å; M249-H253 PolarHBondContact O-ND1 3.38Å
250L94.4Very high91.8Very high7 Ų721.3 Ų21.34%0.03711%0.111CC..Hα-helixtrans-53.4-51.5177.8172.960.6000111.8I141 D146 I148 R246 K247 H253 R254I141-L250 HydrophobicContact CG2-CB 3.83Å; I141-L250 HydrophobicContact CG2-CD1 3.79Å; I141-L250 HydrophobicContact CG2-CG 4.39Å; D146-L250 HydrophobicContact CB-CD1 3.83Å; D146-L250 HydrophobicContact CB-CD2 3.58Å; D146-L250 HydrophobicContact CB-CG 4.34Å; I148-L250 HydrophobicContact CG1-CD2 4.07Å; I148-L250 HydrophobicContact CG1-CG 4.45Å; R246-L250 WeakPolarHBondContact O-CB 3.49Å; R246-L250 PolarHBondContact O-N 3.19Å; K247-L250 PolarHBondContact O-N 3.37Å; L250-H253 PolarHBondContact O-N 3.38Å; L250-R254 HydrophobicContact CD1-CG 4.45Å; L250-R254 PolarHBondContact O-N 3.22Å; L250-R254 VanDerWaalsContact O-N 3.08Å
251R91.4Very high91.9Very high19 Ų1922.5 Ų22.57%0.07212%0.118CC..Hα-helixtrans-64.5-46179.8-166.9-169.8175.7-168.76.3111.7E157 K247 M249 H253 R254 Q255 T390E157-R251 IonicContact OE1-NH2 3.86Å; E157-R251 PolarHBondContact OE1-NH2 3.01Å; E157-R251 IonicContact OE2-CZ 3.25Å; E157-R251 IonicContact OE2-NE 2.65Å; E157-R251 PolarHBondContact OE2-NE 2.99Å; E157-R251 IonicContact OE2-NH2 3.74Å; E157-R251 PolarHBondContact OE2-NH2 3.22Å; E157-R251 VanDerWaalsContact OE2-NH2 3.08Å; K247-R251 PolarHBondContact O-N 3.43Å; M249-R251 PolarHBondContact O-N 3.34Å; R251-H253 VanDerWaalsContact C-N 3.29Å; R251-H253 PolarHBondContact O-N 2.9Å; R251-R254 PolarHBondContact O-N 3.46Å; R251-Q255 HydrophobicContact CG-CG 4.34Å; R251-Q255 WeakPolarHBondContact O-CB 3.15Å; R251-Q255 WeakPolarHBondContact O-CG 3.44Å; R251-Q255 PolarHBondContact O-N 3.34Å; R251-T390 PolarHBondContact NH1-OG1 3.43Å; R251-T390 PolarHBondContact NH2-OG1 3.23Å
252A91.4Very high91.9Very high9 Ų926 Ų267%0.07413%0.134CC..Hα-helixtrans-55.9-42178.500000112.4M24 T248 M249 Q255 V256M24-A252 HydrophobicContact SD-CB 3.6Å; T248-A252 WeakPolarHBondContact O-CB 3.44Å; T248-A252 PolarHBondContact O-N 3.25Å; M249-A252 PolarHBondContact O-N 3.35Å; A252-Q255 PolarHBondContact O-N 3.32Å; A252-V256 WeakPolarHBondContact O-CG2 3.42Å; A252-V256 PolarHBondContact O-N 3.23Å
253H94.9Very high92Very high5 Ų522.9 Ų22.92%0.02312%0.117CC..Hα-helixtrans-75.5-34.2-179.8-70.574.8000112.5I8 M10 Y17 I143 M249 L250 R251 V256 W257I8-H253 VanDerWaalsContact CD1-CE1 3.45Å; I8-H253 WeakPolarHBondContact CD1-CE1 3.35Å; I8-H253 HydrophobicContact CG2-CB 4.2Å; M10-H253 WeakPolarHBondContact CE-O 3.42Å; M10-H253 HydrophobicContact SD-CB 3.71Å; Y17-H253 AromaticContact CE2-CD2 3.84Å; Y17-H253 AromaticContact CE2-NE2 3.91Å; Y17-H253 AromaticContact CZ-NE2 3.75Å; Y17-H253 PolarHBondContact OH-NE2 2.84Å; I143-H253 HydrophobicContact CG2-CB 3.69Å; M249-H253 PolarHBondContact O-N 3.02Å; M249-H253 PolarHBondContact O-ND1 3.38Å; L250-H253 PolarHBondContact O-N 3.38Å; R251-H253 VanDerWaalsContact C-N 3.29Å; R251-H253 PolarHBondContact O-N 2.9Å; H253-V256 PolarHBondContact O-N 3.34Å; H253-W257 PolarHBondContact O-N 3.19Å; H253-W257 VanDerWaalsContact O-N 3.14Å
254R95.1Very high92.3Very high8 Ų822.3 Ų22.33%0.0311%0.11CC..Hα-helixtrans-64.1-40.2168.7-73.417763.8123.9-14.8112.2I143 E157 D158 P159 L250 R251 W257 A258I143-R254 HydrophobicContact CB-CG 3.84Å; I143-R254 HydrophobicContact CG2-CG 4.22Å; I143-R254 WeakPolarHBondContact O-CD 3.49Å; I143-R254 WeakPolarHBondContact O-CG 3.33Å; I143-R254 PolarHBondContact O-NH1 3.26Å; E157-R254 PolarHBondContact O-NE 2.75Å; D158-R254 IonicContact OD1-CZ 3.43Å; D158-R254 IonicContact OD1-NH1 3.77Å; D158-R254 IonicContact OD1-NH2 3.79Å; D158-R254 PolarHBondContact OD1-NH2 3.13Å; D158-R254 IonicContact OD2-NH2 3.9Å; D158-R254 PolarHBondContact OD2-NH2 2.79Å; P159-R254 VanDerWaalsContact CD-CZ 3.45Å; P159-R254 HydrophobicContact CG-CB 4.25Å; P159-R254 HydrophobicContact CG-CG 3.79Å; L250-R254 HydrophobicContact CD1-CG 4.45Å; L250-R254 PolarHBondContact O-N 3.22Å; L250-R254 VanDerWaalsContact O-N 3.08Å; R251-R254 PolarHBondContact O-N 3.46Å; R254-W257 WeakPolarHBondContact O-CB 3.43Å; R254-W257 PolarHBondContact O-N 2.82Å; R254-A258 WeakPolarHBondContact O-CB 3.37Å; R254-A258 PolarHBondContact O-N 3Å
255Q93.5Very high92.2Very high0 Ų021.9 Ų21.90%011%0.108CC..Hα-helixtrans-65.8-40.2174.2-73.5177.2-52.200112.2E157 R251 A252 W257 A258 W259E157-Q255 VanDerWaalsContact CD-CG 3.46Å; E157-Q255 VanDerWaalsContact CD-NE2 3.26Å; E157-Q255 HydrophobicContact CG-CG 4.01Å; E157-Q255 PolarHBondContact OE1-NE2 3.41Å; E157-Q255 WeakPolarHBondContact OE2-CG 3.41Å; E157-Q255 PolarHBondContact OE2-NE2 2.89Å; E157-Q255 VanDerWaalsContact OE2-NE2 3.14Å; R251-Q255 HydrophobicContact CG-CG 4.34Å; R251-Q255 WeakPolarHBondContact O-CB 3.15Å; R251-Q255 WeakPolarHBondContact O-CG 3.44Å; R251-Q255 PolarHBondContact O-N 3.34Å; A252-Q255 PolarHBondContact O-N 3.32Å; Q255-W257 VanDerWaalsContact C-N 3.26Å; Q255-W257 PolarHBondContact O-N 2.8Å; Q255-A258 PolarHBondContact O-N 3.16Å; Q255-W259 HydrophobicContact CB-CD2 4.1Å; Q255-W259 HydrophobicContact CB-CE3 4.06Å; Q255-W259 HydrophobicContact CB-CH2 3.96Å; Q255-W259 HydrophobicContact CB-CZ2 3.95Å; Q255-W259 HydrophobicContact CB-CZ3 3.99Å; Q255-W259 HydrophobicContact CG-CH2 4.23Å; Q255-W259 HydrophobicContact CG-CZ2 3.96Å; Q255-W259 VanDerWaalsContact O-CB 3.3Å; Q255-W259 WeakPolarHBondContact O-CB 3.45Å; Q255-W259 PolarHBondContact O-N 3.31Å
256V93.9Very high92.1Very high0 Ų022.3 Ų22.30%011%0.11CC..Hα-helixtrans-56.6-39.3171.1156.30000112.2M10 L12 A20 M24 A252 H253 W263M10-V256 HydrophobicContact CE-CB 4.38Å; M10-V256 HydrophobicContact CE-CG1 3.72Å; L12-V256 HydrophobicContact CD1-CG1 3.95Å; A20-V256 HydrophobicContact CB-CG1 3.87Å; M24-V256 HydrophobicContact CB-CG2 3.77Å; M24-V256 HydrophobicContact CG-CG2 3.94Å; M24-V256 HydrophobicContact SD-CG2 3.49Å; M24-V256 WeakPolarHBondContact SD-CG2 3.39Å; A252-V256 WeakPolarHBondContact O-CG2 3.42Å; A252-V256 PolarHBondContact O-N 3.23Å; H253-V256 PolarHBondContact O-N 3.34Å; V256-W263 PolarHBondContact O-NE1 2.92Å
257W95.1Very high91.8Very high1 Ų122.2 Ų22.20%0.00412%0.115CC..Hα-helixtrans-70.3-45.4175179.2-104.5000112.8M10 P11 L12 P159 Y162 R169 L172 H253 R254 Q255 W259 Q260M10-W257 HydrophobicContact CE-CB 4.47Å; P11-W257 HydrophobicContact CB-CE3 4.49Å; P11-W257 HydrophobicContact CB-CH2 4.04Å; P11-W257 HydrophobicContact CB-CZ3 3.84Å; P11-W257 HydrophobicContact CG-CD2 4.1Å; P11-W257 HydrophobicContact CG-CE3 3.45Å; P11-W257 VanDerWaalsContact CG-CE3 3.45Å; P11-W257 HydrophobicContact CG-CH2 3.69Å; P11-W257 HydrophobicContact CG-CZ2 4.36Å; P11-W257 HydrophobicContact CG-CZ3 3.24Å; L12-W257 HydrophobicContact CD2-CE3 4.47Å; L12-W257 HydrophobicContact CD2-CZ3 4.34Å; P159-W257 VanDerWaalsContact CB-CD1 3.41Å; P159-W257 HydrophobicContact CB-CG 4.2Å; P159-W257 HydrophobicContact CG-CB 4.49Å; P159-W257 HydrophobicContact CG-CG 4.3Å; Y162-W257 AromaticContact CD1-CD1 3.8Å; Y162-W257 AromaticContact CD1-NE1 3.74Å; Y162-W257 WeakPolarHBondContact CE1-O 3.4Å; R169-W257 HydrophobicContact CB-CH2 3.64Å; R169-W257 HydrophobicContact CB-CZ2 4.25Å; R169-W257 HydrophobicContact CB-CZ3 4.23Å; L172-W257 HydrophobicContact CD1-CD2 4.46Å; L172-W257 HydrophobicContact CD1-CZ2 4.16Å; L172-W257 HydrophobicContact CD2-CH2 3.82Å; L172-W257 HydrophobicContact CD2-CZ2 3.49Å; L172-W257 VanDerWaalsContact CD2-CZ2 3.49Å; L172-W257 HydrophobicContact CG-CH2 4.43Å; L172-W257 HydrophobicContact CG-CZ2 3.69Å; H253-W257 PolarHBondContact O-N 3.19Å; H253-W257 VanDerWaalsContact O-N 3.14Å; R254-W257 WeakPolarHBondContact O-CB 3.43Å; R254-W257 PolarHBondContact O-N 2.82Å; Q255-W257 VanDerWaalsContact C-N 3.26Å; Q255-W257 PolarHBondContact O-N 2.8Å; W257-W259 VanDerWaalsContact C-N 3.32Å; W257-W259 PolarHBondContact O-N 2.95Å; W257-Q260 VanDerWaalsContact CD2-NE2 3.26Å; W257-Q260 VanDerWaalsContact O-CG 3.3Å; W257-Q260 WeakPolarHBondContact O-CG 3.44Å; W257-Q260 PolarHBondContact O-N 3.43Å; W257-Q260 PolarHBondContact O-NE2 3.07Å
258A94.1Very high91.6Very high12 Ų1220.7 Ų20.710%0.09911%0.11CC..Hα-helixtrans-72.4-19.1-178.500000114.6E156 Y162 R254 Q255E156-A258 WeakPolarHBondContact O-CB 3.49Å; Y162-A258 HydrophobicContact CD2-CB 4.47Å; Y162-A258 VanDerWaalsContact CE2-O 3.25Å; Y162-A258 WeakPolarHBondContact CE2-O 3.39Å; Y162-A258 HydrophobicContact CG-CB 4.42Å; Y162-A258 VanDerWaalsContact CZ-O 3.27Å; Y162-A258 PolarHBondContact OH-O 3.07Å; R254-A258 WeakPolarHBondContact O-CB 3.37Å; R254-A258 PolarHBondContact O-N 3Å; Q255-A258 PolarHBondContact O-N 3.16Å
259W93.6Very high91.5Very high22 Ų2224.9 Ų24.98%0.08313%0.126CC..THydrogen-bonded Turntrans-9816.7177.9-59.7-22.7000113.1M24 K27 K28 Q255 W257 D261 E262 W263M24-W259 HydrophobicContact CB-CZ3 4.46Å; M24-W259 HydrophobicContact CG-CZ3 4.14Å; K27-W259 HydrophobicContact CB-CZ3 4.25Å; K27-W259 HydrophobicContact CD-CD2 4.05Å; K27-W259 HydrophobicContact CD-CE3 3.84Å; K27-W259 HydrophobicContact CD-CH2 3.83Å; K27-W259 HydrophobicContact CD-CZ2 4.07Å; K27-W259 HydrophobicContact CD-CZ3 3.73Å; K27-W259 HydrophobicContact CG-CH2 4.12Å; K27-W259 HydrophobicContact CG-CZ3 4.12Å; K27-W259 VanDerWaalsContact NZ-CE2 3.27Å; K28-W259 HydrophobicContact CG-CH2 4.49Å; Q255-W259 HydrophobicContact CB-CD2 4.1Å; Q255-W259 HydrophobicContact CB-CE3 4.06Å; Q255-W259 HydrophobicContact CB-CH2 3.96Å; Q255-W259 HydrophobicContact CB-CZ2 3.95Å; Q255-W259 HydrophobicContact CB-CZ3 3.99Å; Q255-W259 HydrophobicContact CG-CH2 4.23Å; Q255-W259 HydrophobicContact CG-CZ2 3.96Å; Q255-W259 VanDerWaalsContact O-CB 3.3Å; Q255-W259 WeakPolarHBondContact O-CB 3.45Å; Q255-W259 PolarHBondContact O-N 3.31Å; W257-W259 VanDerWaalsContact C-N 3.32Å; W257-W259 PolarHBondContact O-N 2.95Å; W259-D261 VanDerWaalsContact C-N 3.26Å; W259-D261 PolarHBondContact O-N 2.89Å; W259-E262 HydrophobicContact CB-CB 4.49Å; W259-E262 HydrophobicContact CB-CG 4.35Å; W259-E262 WeakPolarHBondContact O-CB 3.29Å; W259-E262 PolarHBondContact O-N 2.86Å; W259-W263 PolarHBondContact O-N 2.85Å; W259-W263 PolarHBondContact O-NE1 3.42Å
260Q92.2Very high91.3Very high0 Ų026.9 Ų26.90%014%0.135CC..Hα-helixtrans-50.1-44.9-179.8-90.7174.410300112.9Y162 T167 W257 E262 W263 Y264Y162-Q260 HydrophobicContact CE1-CB 4.48Å; T167-Q260 PolarHBondContact OG1-OE1 2.8Å; W257-Q260 VanDerWaalsContact CD2-NE2 3.26Å; W257-Q260 VanDerWaalsContact O-CG 3.3Å; W257-Q260 WeakPolarHBondContact O-CG 3.44Å; W257-Q260 PolarHBondContact O-N 3.43Å; W257-Q260 PolarHBondContact O-NE2 3.07Å; Q260-E262 PolarHBondContact O-N 3.32Å; Q260-W263 HydrophobicContact CB-CZ2 4.38Å; Q260-W263 HydrophobicContact CG-CH2 4.22Å; Q260-W263 HydrophobicContact CG-CZ2 3.5Å; Q260-W263 PolarHBondContact O-N 3.02Å; Q260-Y264 WeakPolarHBondContact O-CB 3.39Å; Q260-Y264 PolarHBondContact O-N 3.32Å
261D91.1Very high91Very high45 Ų4526.5 Ų26.524%0.24113%0.134CC..Hα-helixtrans-68.1-17.7-177.3-51.9-45.6000113.4Y162 S164 E165 A166 R197 W259Y162-D261 VanDerWaalsContact OH-CG 3.29Å; Y162-D261 PolarHBondContact OH-OD2 3.08Å; S164-D261 WeakPolarHBondContact CA-OD1 3.44Å; S164-D261 WeakPolarHBondContact CB-OD1 3.37Å; S164-D261 PolarHBondContact OG-OD1 3.47Å; E165-D261 PolarHBondContact N-OD1 3.03Å; E165-D261 PolarHBondContact N-OD2 3.4Å; A166-D261 HydrophobicContact CB-CB 4.36Å; A166-D261 VanDerWaalsContact CB-OD1 3.29Å; A166-D261 WeakPolarHBondContact CB-OD1 3.23Å; A166-D261 PolarHBondContact N-OD1 2.97Å; R197-D261 PolarHBondContact NH2-O 3.12Å; W259-D261 VanDerWaalsContact C-N 3.26Å; W259-D261 PolarHBondContact O-N 2.89Å
262E92.3Very high90.8Very high72 Ų7229.4 Ų29.434%0.33615%0.145SC..Hα-helixtrans-85.2-43.7177.5-53.4-179.3171.100112.4Y23 K27 W259 Q260Y23-E262 HydrophobicContact CE1-CB 3.97Å; Y23-E262 VanDerWaalsContact CE1-OE2 3.26Å; Y23-E262 WeakPolarHBondContact CE1-OE2 3.46Å; Y23-E262 PolarHBondContact OH-OE2 3.05Å; K27-E262 IonicContact NZ-OE1 3.69Å; K27-E262 PolarHBondContact NZ-OE1 3.35Å; K27-E262 IonicContact NZ-OE2 3.37Å; K27-E262 PolarHBondContact NZ-OE2 2.79Å; W259-E262 HydrophobicContact CB-CB 4.49Å; W259-E262 HydrophobicContact CB-CG 4.35Å; W259-E262 WeakPolarHBondContact O-CB 3.29Å; W259-E262 PolarHBondContact O-N 2.86Å; Q260-E262 PolarHBondContact O-N 3.32Å
263W92.4Very high90.7Very high5 Ų535.2 Ų35.22%0.01917%0.165CC..Hα-helixtrans-100-20.6-17364.5-107.4000115L12 E16 I19 A20 Y23 V256 W259 Q260 G265 L266L12-W263 HydrophobicContact CD1-CH2 4.07Å; L12-W263 HydrophobicContact CD1-CZ2 3.96Å; L12-W263 HydrophobicContact CD2-CH2 3.88Å; L12-W263 HydrophobicContact CD2-CZ2 4.15Å; E16-W263 HydrophobicContact CB-CH2 4.11Å; E16-W263 HydrophobicContact CB-CZ3 4.06Å; I19-W263 HydrophobicContact CG2-CE3 4.5Å; A20-W263 HydrophobicContact CB-CD2 3.49Å; A20-W263 VanDerWaalsContact CB-CD2 3.49Å; A20-W263 HydrophobicContact CB-CE3 3.8Å; A20-W263 HydrophobicContact CB-CG 4.05Å; A20-W263 HydrophobicContact CB-CH2 3.95Å; A20-W263 HydrophobicContact CB-CZ2 3.59Å; A20-W263 HydrophobicContact CB-CZ3 4.03Å; Y23-W263 HydrophobicContact CD1-CB 3.87Å; Y23-W263 HydrophobicContact CD2-CB 4.09Å; Y23-W263 HydrophobicContact CG-CB 3.62Å; V256-W263 PolarHBondContact O-NE1 2.92Å; W259-W263 PolarHBondContact O-N 2.85Å; W259-W263 PolarHBondContact O-NE1 3.42Å; Q260-W263 HydrophobicContact CB-CZ2 4.38Å; Q260-W263 HydrophobicContact CG-CH2 4.22Å; Q260-W263 HydrophobicContact CG-CZ2 3.5Å; Q260-W263 PolarHBondContact O-N 3.02Å; W263-G265 PolarHBondContact O-N 2.99Å; W263-L266 HydrophobicContact CB-CD1 4.4Å; W263-L266 WeakPolarHBondContact O-CB 3.47Å; W263-L266 WeakPolarHBondContact O-CG 3.22Å; W263-L266 PolarHBondContact O-N 3Å
264Y89Confident90.4Very high37 Ų3736.4 Ų36.415%0.14517%0.171CC..THydrogen-bonded Turntrans-68.3127-175.6179.9-96000111.6A166 T167 P195 L212 Q260A166-Y264 HydrophobicContact CB-CD1 4.22Å; T167-Y264 HydrophobicContact CG2-CD1 3.68Å; T167-Y264 HydrophobicContact CG2-CD2 3.57Å; T167-Y264 HydrophobicContact CG2-CE1 3.74Å; T167-Y264 HydrophobicContact CG2-CE2 3.63Å; T167-Y264 HydrophobicContact CG2-CG 3.57Å; P195-Y264 HydrophobicContact CG-CE1 4.29Å; P195-Y264 HydrophobicContact CG-CE2 3.79Å; P195-Y264 VanDerWaalsContact CG-CZ 3.48Å; P195-Y264 WeakPolarHBondContact CG-OH 3.36Å; L212-Y264 HydrophobicContact CD1-CE2 3.89Å; L212-Y264 VanDerWaalsContact CD1-OH 3.3Å; L212-Y264 WeakPolarHBondContact CD1-OH 3.36Å; Q260-Y264 WeakPolarHBondContact O-CB 3.39Å; Q260-Y264 PolarHBondContact O-N 3.32Å
265G84.2Confident89.9Confident13 Ų1336.6 Ų36.613%0.13417%0.172CC..THydrogen-bonded Turntrans87.10.4-176.500000115.9R197 W263R197-G265 PolarHBondContact N-O 3.46Å; W263-G265 PolarHBondContact O-N 2.99Å
266L88.1Confident89.5Confident25 Ų2542.6 Ų42.613%0.13120%0.2CC..  trans-70141.4170.6-67-179.4000112I19 Y23 W263 I271 L274I19-L266 HydrophobicContact CG2-CB 3.98Å; Y23-L266 HydrophobicContact CD2-CD1 3.63Å; Y23-L266 HydrophobicContact CE2-CD1 4.06Å; W263-L266 HydrophobicContact CB-CD1 4.4Å; W263-L266 WeakPolarHBondContact O-CB 3.47Å; W263-L266 WeakPolarHBondContact O-CG 3.22Å; W263-L266 PolarHBondContact O-N 3Å; L266-I271 HydrophobicContact CD1-CD1 4.17Å; L266-L274 HydrophobicContact CD1-CD1 4.19Å
267T88.6Confident89.2Confident48 Ų4845.6 Ų45.629%0.29421%0.214SC..  trans-81.2161172.459.90000112.3E269 E270 I271T267-E269 PolarHBondContact O-N 3.29Å; T267-E270 WeakPolarHBondContact CB-OE2 3.26Å; T267-E270 PolarHBondContact N-OE2 2.87Å; T267-E270 PolarHBondContact O-N 3.41Å; T267-E270 WeakPolarHBondContact OG1-CB 3.3Å; T267-E270 VanDerWaalsContact OG1-CG 3.23Å; T267-E270 WeakPolarHBondContact OG1-CG 3.47Å; T267-E270 PolarHBondContact OG1-N 2.83Å; T267-E270 VanDerWaalsContact OG1-N 3.13Å; T267-E270 PolarHBondContact OG1-OE2 3.25Å; T267-I271 WeakPolarHBondContact O-CG1 3.29Å; T267-I271 PolarHBondContact O-N 3.44Å; T267-I271 VanDerWaalsContact O-N 3.1Å
268I86.1Confident88.6Confident43 Ų4345.5 Ų45.522%0.22121%0.214CC..Hα-helixtrans-68-27.7175.1-169.266.9000111.1I19 L22 I271 R272I19-I268 HydrophobicContact CD1-CB 4.35Å; I19-I268 HydrophobicContact CD1-CD1 4.3Å; L22-I268 HydrophobicContact CD1-CD1 3.59Å; I268-I271 HydrophobicContact CD1-CB 4.38Å; I268-I271 HydrophobicContact CD1-CG2 4.28Å; I268-I271 WeakPolarHBondContact O-CB 3.49Å; I268-I271 PolarHBondContact O-N 2.92Å; I268-R272 WeakPolarHBondContact O-CG 3.35Å; I268-R272 PolarHBondContact O-N 2.94Å
269E87Confident88.1Confident131 Ų13146.5 Ų46.561%0.61222%0.222SC*.Hα-helixtrans-65.8-43.9173.4-67.866.1-148.400112T267 I271 R272 R273T267-E269 PolarHBondContact O-N 3.29Å; E269-I271 VanDerWaalsContact C-N 3.33Å; E269-R272 WeakPolarHBondContact O-CB 3.39Å; E269-R272 PolarHBondContact O-N 2.94Å; E269-R272 VanDerWaalsContact O-N 3.16Å; E269-R273 PolarHBondContact O-N 3.12Å; E269-R273 VanDerWaalsContact O-N 3.08Å
270E89.2Confident87.7Confident62 Ų6251.6 Ų51.629%0.2925%0.247SC..Hα-helixtrans-65.2-37.5172.9-73.8165.311500112T267 R272 R273 L274T267-E270 WeakPolarHBondContact CB-OE2 3.26Å; T267-E270 PolarHBondContact N-OE2 2.87Å; T267-E270 PolarHBondContact O-N 3.41Å; T267-E270 WeakPolarHBondContact OG1-CB 3.3Å; T267-E270 VanDerWaalsContact OG1-CG 3.23Å; T267-E270 WeakPolarHBondContact OG1-CG 3.47Å; T267-E270 PolarHBondContact OG1-N 2.83Å; T267-E270 VanDerWaalsContact OG1-N 3.13Å; T267-E270 PolarHBondContact OG1-OE2 3.25Å; E270-R272 VanDerWaalsContact C-N 3.3Å; E270-R272 PolarHBondContact O-N 2.84Å; E270-R273 PolarHBondContact O-N 2.86Å; E270-L274 WeakPolarHBondContact O-CG 3.44Å; E270-L274 PolarHBondContact O-N 2.89Å
271I88.1Confident87.2Confident0 Ų053.8 Ų53.80%027%0.265CS..Hα-helixtrans-60-39.1171.4-68.2-71.1000111.1I19 L22 Y23 L266 T267 I268 E269 L274 E275I19-I271 HydrophobicContact CD1-CG1 4.44Å; I19-I271 HydrophobicContact CG2-CD1 4.14Å; I19-I271 HydrophobicContact CG2-CG1 4.16Å; L22-I271 HydrophobicContact CB-CD1 4.47Å; L22-I271 HydrophobicContact CB-CG2 3.53Å; L22-I271 HydrophobicContact CD1-CG2 3.81Å; L22-I271 HydrophobicContact CG-CG2 4.26Å; Y23-I271 HydrophobicContact CD2-CD1 4.41Å; L266-I271 HydrophobicContact CD1-CD1 4.17Å; T267-I271 WeakPolarHBondContact O-CG1 3.29Å; T267-I271 PolarHBondContact O-N 3.44Å; T267-I271 VanDerWaalsContact O-N 3.1Å; I268-I271 HydrophobicContact CD1-CB 4.38Å; I268-I271 HydrophobicContact CD1-CG2 4.28Å; I268-I271 WeakPolarHBondContact O-CB 3.49Å; I268-I271 PolarHBondContact O-N 2.92Å; E269-I271 VanDerWaalsContact C-N 3.33Å; I271-L274 HydrophobicContact CD1-CD1 4.36Å; I271-L274 PolarHBondContact O-N 3.41Å; I271-E275 WeakPolarHBondContact O-CG 3.36Å; I271-E275 PolarHBondContact O-N 3.34Å
272R87Confident86.7Confident79 Ų7951.8 Ų51.830%0.29825%0.254SS..Hα-helixtrans-64.9-39.5173.6-64.6-42.5-169170.56.6113.1Q57 I268 E269 E270 L274 E275 E276Q57-R272 VanDerWaalsContact CD-NH2 3.27Å; I268-R272 WeakPolarHBondContact O-CG 3.35Å; I268-R272 PolarHBondContact O-N 2.94Å; E269-R272 WeakPolarHBondContact O-CB 3.39Å; E269-R272 PolarHBondContact O-N 2.94Å; E269-R272 VanDerWaalsContact O-N 3.16Å; E270-R272 VanDerWaalsContact C-N 3.3Å; E270-R272 PolarHBondContact O-N 2.84Å; R272-L274 VanDerWaalsContact C-N 3.34Å; R272-E275 WeakPolarHBondContact CD-OE2 3.44Å; R272-E275 IonicContact CZ-OE1 2.72Å; R272-E275 IonicContact CZ-OE2 2.71Å; R272-E275 IonicContact NE-OE2 2.98Å; R272-E275 IonicContact NH1-OE1 3.79Å; R272-E275 PolarHBondContact NH1-OE1 3.29Å; R272-E275 IonicContact NH1-OE2 3.29Å; R272-E275 PolarHBondContact NH1-OE2 2.98Å; R272-E275 WeakPolarHBondContact O-CB 3.35Å; R272-E275 PolarHBondContact O-N 2.91Å; R272-E276 PolarHBondContact O-N 3.37Å
273R89.2Confident86.1Confident132 Ų13251.3 Ų51.350%0.49826%0.262SS..Hα-helixtrans-62.4-43.4173.4-164-172.669.3-129.9-8.1111.1E269 E270 E275 E276 E277E269-R273 PolarHBondContact O-N 3.12Å; E269-R273 VanDerWaalsContact O-N 3.08Å; E270-R273 PolarHBondContact O-N 2.86Å; R273-E275 VanDerWaalsContact C-N 3.3Å; R273-E275 PolarHBondContact O-N 2.91Å; R273-E276 PolarHBondContact O-N 3.09Å; R273-E277 HydrophobicContact CG-CG 4.46Å; R273-E277 IonicContact CZ-OE1 3.34Å; R273-E277 IonicContact NE-OE1 3.88Å; R273-E277 PolarHBondContact NE-OE1 3.48Å; R273-E277 WeakPolarHBondContact O-CB 3.4Å; R273-E277 VanDerWaalsContact O-CG 3.26Å; R273-E277 WeakPolarHBondContact O-CG 3.41Å; R273-E277 PolarHBondContact O-N 3.22Å
274L88.1Confident85.5Confident30 Ų3054.2 Ų54.216%0.15728%0.283CS..Hα-helixtrans-62.6-34174.3-69.9170.7000112.4Y23 R30 L266 E270 I271 R272 T278Y23-L274 HydrophobicContact CD2-CD1 3.99Å; Y23-L274 HydrophobicContact CE2-CD1 4.15Å; R30-L274 PolarHBondContact NH2-O 3.04Å; L266-L274 HydrophobicContact CD1-CD1 4.19Å; E270-L274 WeakPolarHBondContact O-CG 3.44Å; E270-L274 PolarHBondContact O-N 2.89Å; I271-L274 HydrophobicContact CD1-CD1 4.36Å; I271-L274 PolarHBondContact O-N 3.41Å; R272-L274 VanDerWaalsContact C-N 3.34Å; L274-T278 VanDerWaalsContact O-CB 3.28Å; L274-T278 WeakPolarHBondContact O-CB 3.48Å; L274-T278 PolarHBondContact O-N 2.85Å; L274-T278 VanDerWaalsContact O-N 3.13Å; L274-T278 PolarHBondContact O-OG1 3.28Å
275E85.4Confident85Confident12 Ų1256.9 Ų56.96%0.05630%0.296CS..Hα-helixtrans-62.1-51.2171.4-74.4172.2-165.400111.7Q26 N45 I271 R272 R273 T278 A279Q26-E275 HydrophobicContact CG-CG 4.02Å; N45-E275 PolarHBondContact ND2-OE2 2.83Å; I271-E275 WeakPolarHBondContact O-CG 3.36Å; I271-E275 PolarHBondContact O-N 3.34Å; R272-E275 WeakPolarHBondContact CD-OE2 3.44Å; R272-E275 IonicContact CZ-OE1 2.72Å; R272-E275 IonicContact CZ-OE2 2.71Å; R272-E275 IonicContact NE-OE2 2.98Å; R272-E275 IonicContact NH1-OE1 3.79Å; R272-E275 PolarHBondContact NH1-OE1 3.29Å; R272-E275 IonicContact NH1-OE2 3.29Å; R272-E275 PolarHBondContact NH1-OE2 2.98Å; R272-E275 WeakPolarHBondContact O-CB 3.35Å; R272-E275 PolarHBondContact O-N 2.91Å; R273-E275 VanDerWaalsContact C-N 3.3Å; R273-E275 PolarHBondContact O-N 2.91Å; E275-T278 WeakPolarHBondContact O-CB 3.28Å; E275-T278 PolarHBondContact O-N 2.85Å; E275-A279 PolarHBondContact O-N 2.83Å
276E84.7Confident84.3Confident126 Ų12657.6 Ų57.659%0.58930%0.296SS*.Hα-helixtrans-63.4-49.4179-70.8-171.7133.700113R272 R273 T278 A279 Q280R272-E276 PolarHBondContact O-N 3.37Å; R273-E276 PolarHBondContact O-N 3.09Å; E276-T278 PolarHBondContact O-N 2.83Å; E276-A279 PolarHBondContact O-N 2.81Å; E276-A279 VanDerWaalsContact O-N 3.14Å; E276-Q280 WeakPolarHBondContact O-CG 3Å; E276-Q280 PolarHBondContact O-N 2.65Å
277E87.6Confident83.4Confident62 Ų6259 Ų5929%0.2931%0.311SS..Hα-helixtrans-53.4-38.9174.6-73.4169.3-153.500111.7R30 R273 A281R30-E277 IonicContact CZ-OE2 3.32Å; R30-E277 IonicContact NH1-OE2 3.05Å; R30-E277 IonicContact NH2-OE2 3.91Å; R30-E277 PolarHBondContact NH2-OE2 2.66Å; R273-E277 HydrophobicContact CG-CG 4.46Å; R273-E277 IonicContact CZ-OE1 3.34Å; R273-E277 IonicContact NE-OE1 3.88Å; R273-E277 PolarHBondContact NE-OE1 3.48Å; R273-E277 WeakPolarHBondContact O-CB 3.4Å; R273-E277 VanDerWaalsContact O-CG 3.26Å; R273-E277 WeakPolarHBondContact O-CG 3.41Å; R273-E277 PolarHBondContact O-N 3.22Å; E277-A281 WeakPolarHBondContact O-CB 3.37Å; E277-A281 PolarHBondContact O-N 3.19Å
278T83.2Confident81.9Confident0 Ų062.6 Ų62.60%033%0.328CS..Hα-helixtrans-70.1-45.3178.9-58.20000111.3Q26 R30 L274 E275 E276 Q280 A281 L282Q26-T278 VanDerWaalsContact NE2-CB 3.26Å; Q26-T278 PolarHBondContact NE2-OG1 3.03Å; R30-T278 HydrophobicContact CG-CG2 3.73Å; R30-T278 PolarHBondContact NE-OG1 2.82Å; R30-T278 PolarHBondContact NH2-OG1 2.95Å; L274-T278 VanDerWaalsContact O-CB 3.28Å; L274-T278 WeakPolarHBondContact O-CB 3.48Å; L274-T278 PolarHBondContact O-N 2.85Å; L274-T278 VanDerWaalsContact O-N 3.13Å; L274-T278 PolarHBondContact O-OG1 3.28Å; E275-T278 WeakPolarHBondContact O-CB 3.28Å; E275-T278 PolarHBondContact O-N 2.85Å; E276-T278 PolarHBondContact O-N 2.83Å; T278-Q280 VanDerWaalsContact C-N 3.29Å; T278-Q280 PolarHBondContact O-N 3.18Å; T278-A281 PolarHBondContact O-N 3.37Å; T278-L282 HydrophobicContact CG2-CD1 3.71Å; T278-L282 HydrophobicContact CG2-CG 4.25Å; T278-L282 WeakPolarHBondContact O-CB 3.28Å; T278-L282 WeakPolarHBondContact O-CG 3.15Å; T278-L282 PolarHBondContact O-N 3.24Å
279A82.6Confident79.9Confident32 Ų3263.8 Ų63.826%0.26434%0.34SS..Hα-helixtrans-59.5-41.5177.600000111.6I42 E275 E276 L282 A283I42-A279 HydrophobicContact CB-CB 4.31Å; I42-A279 HydrophobicContact CD1-CB 4.15Å; E275-A279 PolarHBondContact O-N 2.83Å; E276-A279 PolarHBondContact O-N 2.81Å; E276-A279 VanDerWaalsContact O-N 3.14Å; A279-L282 PolarHBondContact O-N 3.19Å; A279-A283 WeakPolarHBondContact O-CB 3.33Å; A279-A283 PolarHBondContact O-N 2.55Å
280Q84.7Confident77.4Confident130 Ų13064.4 Ų64.461%0.60735%0.348SS*.Hα-helixtrans-63.4-50.4175.6-67.4172.420.500111.9E276 T278 L282 A283 S284E276-Q280 WeakPolarHBondContact O-CG 3Å; E276-Q280 PolarHBondContact O-N 2.65Å; T278-Q280 VanDerWaalsContact C-N 3.29Å; T278-Q280 PolarHBondContact O-N 3.18Å; Q280-L282 VanDerWaalsContact C-N 3.28Å; Q280-L282 PolarHBondContact O-N 2.92Å; Q280-A283 PolarHBondContact O-N 3.3Å; Q280-S284 PolarHBondContact O-N 3.41Å; Q280-S284 VanDerWaalsContact O-N 3.09Å; Q280-S284 PolarHBondContact O-OG 2.65Å
281A83.3Confident74.7Confident45 Ų4569.7 Ų69.737%0.37237%0.373SS..Hα-helixtrans-62-34179.600000113.2E277 T278 K285E277-A281 WeakPolarHBondContact O-CB 3.37Å; E277-A281 PolarHBondContact O-N 3.19Å; T278-A281 PolarHBondContact O-N 3.37Å; A281-K285 WeakPolarHBondContact O-CG 3.32Å; A281-K285 PolarHBondContact O-N 2.71Å
282L79.6Confident71.8Confident3 Ų377.3 Ų77.32%0.01641%0.413CS..Hα-helixtrans-70.4-43.3174.9-70.5171.5000112.2S29 S33 V40 I42 T278 A279 Q280 S284 K285 M286S29-L282 WeakPolarHBondContact O-CD2 3.5Å; S33-L282 WeakPolarHBondContact OG-CD2 3.31Å; V40-L282 HydrophobicContact CB-CD1 4.47Å; I42-L282 HydrophobicContact CD1-CD1 3.98Å; I42-L282 HydrophobicContact CG1-CD1 4.25Å; T278-L282 HydrophobicContact CG2-CD1 3.71Å; T278-L282 HydrophobicContact CG2-CG 4.25Å; T278-L282 WeakPolarHBondContact O-CB 3.28Å; T278-L282 WeakPolarHBondContact O-CG 3.15Å; T278-L282 PolarHBondContact O-N 3.24Å; A279-L282 PolarHBondContact O-N 3.19Å; Q280-L282 VanDerWaalsContact C-N 3.28Å; Q280-L282 PolarHBondContact O-N 2.92Å; L282-S284 PolarHBondContact O-N 2.77Å; L282-K285 PolarHBondContact O-N 3.07Å; L282-M286 WeakPolarHBondContact O-CG 3.46Å; L282-M286 PolarHBondContact O-N 2.92Å; L282-M286 VanDerWaalsContact O-N 3.11Å
283A79.9Confident69.2Low62 Ų6279.5 Ų79.551%0.51244%0.437SS..Hα-helixtrans-59.6-44.3176.600000111.9A279 Q280 M286 A287A279-A283 WeakPolarHBondContact O-CB 3.33Å; A279-A283 PolarHBondContact O-N 2.55Å; Q280-A283 PolarHBondContact O-N 3.3Å; A283-M286 PolarHBondContact O-N 3.18Å; A283-A287 PolarHBondContact O-N 2.9Å
284S80.4Confident66.3Low66 Ų6679.7 Ų79.746%0.46245%0.448SS..Hα-helixtrans-61.3-49.1174.4-60.70000112.3Q280 L282 M286 A287 D288Q280-S284 PolarHBondContact O-N 3.41Å; Q280-S284 VanDerWaalsContact O-N 3.09Å; Q280-S284 PolarHBondContact O-OG 2.65Å; L282-S284 PolarHBondContact O-N 2.77Å; S284-M286 PolarHBondContact O-N 3.27Å; S284-A287 PolarHBondContact O-N 3.38Å; S284-D288 PolarHBondContact O-N 3.46Å
285K77.5Confident63.7Low93 Ų9386 Ų8640%0.40448%0.482SS..Hα-helixtrans-54.7-27.1175.5-83-176171.2-171.90113.7R30 S33 A281 L282R30-K285 PolarHBondContact O-NZ 3.49Å; S33-K285 WeakPolarHBondContact O-CD 3.14Å; S33-K285 PolarHBondContact O-NZ 2.83Å; A281-K285 WeakPolarHBondContact O-CG 3.32Å; A281-K285 PolarHBondContact O-N 2.71Å; L282-K285 PolarHBondContact O-N 3.07Å
286M69.1Low61.2Low29 Ų2988.3 Ų88.314%0.14351%0.51CS..Hα-helixtrans-89.2-16.1177.2-69.6-169.6170.700114.2R36 V40 E41 L282 A283 S284R36-M286 WeakPolarHBondContact CD-O 3.41Å; V40-M286 WeakPolarHBondContact O-CE 3.21Å; E41-M286 HydrophobicContact CB-CE 4.1Å; E41-M286 HydrophobicContact CB-SD 3.79Å; E41-M286 HydrophobicContact CG-SD 4.23Å; L282-M286 WeakPolarHBondContact O-CG 3.46Å; L282-M286 PolarHBondContact O-N 2.92Å; L282-M286 VanDerWaalsContact O-N 3.11Å; A283-M286 PolarHBondContact O-N 3.18Å; S284-M286 PolarHBondContact O-N 3.27Å
287A70.1Confident58.8Low54 Ų5489.9 Ų89.945%0.44652%0.522SS..Hα-helixtrans-84.9-45.2179.600000113A283 S284 S289A283-A287 PolarHBondContact O-N 2.9Å; S284-A287 PolarHBondContact O-N 3.38Å; A287-S289 VanDerWaalsContact C-N 3.26Å; A287-S289 PolarHBondContact O-N 3.23Å
288D56.3Low56.1Low123 Ų12395.1 Ų95.166%0.65855%0.546SS*.  trans-73.31.1-158.7-68.3-32.5000116.8S284 N290S284-D288 PolarHBondContact O-N 3.46Å; D288-N290 PolarHBondContact O-N 3.34Å
289S44.6Very low53.7Low68 Ų68101.5 Ų101.548%0.47658%0.58SS.*THydrogen-bonded Turntrans-70.919.1-173.7-46.20000116.1R36 A287R36-S289 VanDerWaalsContact CB-OG 3.28Å; R36-S289 WeakPolarHBondContact CB-OG 3.17Å; A287-S289 VanDerWaalsContact C-N 3.26Å; A287-S289 PolarHBondContact O-N 3.23Å
290N35.7Very low51.4Low145 Ų145104.5 Ų104.578%0.77560%0.599SS**THydrogen-bonded Turntrans-955.9179.9-87.1-5.6000114.1D288D288-N290 PolarHBondContact O-N 3.34Å
291Q31.9Very low48.9Very low172 Ų172106.7 Ų106.780%0.80461%0.606SS**  trans-132.2126.1171.3-60.8-174.722.100110
292L27.8Very low46.4Very low160 Ų160112 Ų11284%0.83862%0.623SS**  trans-83.1123.8161.1-77.189.4000108.2N294L292-N294 PolarHBondContact O-N 2.9Å
293P31.8Very low43.9Very low125 Ų125117.2 Ų117.281%0.81266%0.655SS**  trans-73.994.2166.8-8.525.9000109
294N27.9Very low41.4Very low137 Ų137125.6 Ų125.673%0.73367%0.673SS**  trans-77.3160151.1-92.7-12.1000108.8L292L292-N294 PolarHBondContact O-N 2.9Å
295N34.1Very low38.9Very low161 Ų161128.3 Ų128.386%0.86169%0.692SS**  trans74.5139-170.5-41.2-21.7000112.6
296G31.6Very low36.7Very low62 Ų62130 Ų13064%0.63971%0.711SS**  cis135.2117.9-0.900000111.4
297D34.3Very low34.5Very low158 Ų158134.8 Ų134.885%0.84574%0.742SS**  trans65.2120.5155-56-28.2000121.4
298E32.4Very low32.7Very low173 Ų173137.7 Ų137.781%0.80876%0.756SS**  trans88.7138.7131.5-76.6-162.5148.800124.9
299L33Very low31.3Very low133 Ų133137.8 Ų137.870%0.69677%0.766SS**  trans73.987.1146.7-95.868.3000122.5
300S33.3Very low30.5Very low96 Ų96137 Ų13767%0.67177%0.769SS**  95.5129.7104.974.40000123
301K33.1Very low30.2Very low175 Ų175138.2 Ų138.276%0.76178%0.776SS**  trans74109.7133.3-76.5-176175.4-171.90122.7
302E29Very low30Very low156 Ų156133.5 Ų133.573%0.72977%0.766SS**  65.5118.5117.3-69.6-172.5105.400122.2
303V29Very low29.8Very low113 Ų113131.8 Ų131.869%0.68576%0.763SS**  trans78.3108.2131.1179.30000119.1
304R25.8Very low29.5Very low238 Ų238133 Ų13390%0.89876%0.76SS**  trans31.2118.2138.3-55.5174.2177.7168.8-2.7118.5
305S28.8Very low29.5Very low123 Ų123133 Ų13386%0.8676%0.759SS**  -157.4159.8123.6490000112.4
306T30.8Very low29.1Very low130 Ų130129.5 Ų129.580%0.79875%0.753SS**  trans-73.6157178.443.30000113.2
307T23.9Very low28.9Very low128 Ų128133.7 Ų133.779%0.78576%0.759SS**  trans-50.8173.1157.541.50000114.1
308P31.7Very low28.5Very low116 Ų116133.5 Ų133.575%0.75375%0.753SS**  cis-132.9-173.4-428.9-6.5000115.3
309S26.5Very low28.3Very low124 Ų124130.6 Ų130.687%0.86775%0.747SS**  trans104.8134.8137.7-159.30000119.3
310G27.9Very low28Very low52 Ų52131.9 Ų131.954%0.53675%0.747SS.*  trans116.188.9138.700000118.5
311N28.9Very low27.6Very low170 Ų170132.1 Ų132.191%0.90975%0.748SS**  trans66.3166.8148.3-53.5-23.6000117.7
312A27.7Very low27.5Very low74 Ų74129.2 Ų129.261%0.61274%0.74SS**  cis-166.9161.5-40.600000109.7
313T24.9Very low27.6Very low123 Ų123129 Ų12976%0.75574%0.739SS**  trans64.1127.9146.3410000123
314M24.3Very low27.6Very low152 Ų152129.1 Ų129.175%0.74975%0.745SS**  trans88123.5131.4-66.7-81.7-166.500122.1
315N28.2Very low27.9Very low136 Ų136121 Ų12173%0.72774%0.735SS**  trans66.9130.6141.7-52.2-17.7000119.1
316A25.5Very low28Very low88 Ų88123.3 Ų123.373%0.72773%0.732SS**  cis81.1138.326.300000116.3
317I28.2Very low27.7Very low150 Ų150125 Ų12577%0.76973%0.729SS**  trans143.6109.7176.3-83.6157000104.8V319I317-V319 HydrophobicContact CG2-CG2 4.49Å
318E25.6Very low27.7Very low154 Ų154123.3 Ų123.372%0.7272%0.721SS**  67.2146.577.3-75.8-155.2171.900113.2
319V28Very low27.4Very low112 Ų112126 Ų12668%0.67972%0.723SS**  -156.7123.164164.30000113.2I317I317-V319 HydrophobicContact CG2-CG2 4.49Å
320K27.3Very low27.4Very low159 Ų159125 Ų12569%0.69172%0.717SS**  trans46.8165.4135.5-47.5179.3-178.3177.20120.1
321C24.5Very low27.3Very low102 Ų102129.5 Ų129.569%0.68973%0.728SS**  cis-142.5165.816.8-89.80000108.7
322D30.1Very low27.2Very low113 Ų113126.4 Ų126.460%0.60472%0.72SS**  cis-158.7162-5.8-122.9-40.6000112.3
323Q32.5Very low27.1Very low152 Ų152127.7 Ų127.771%0.7172%0.724SS**  trans31.1106.4147.4-73.1161.374.100119.9
324S29.5Very low27.1Very low116 Ų116128.1 Ų128.181%0.81173%0.727SS**  83137.992.874.90000116.1
325G30.3Very low27.2Very low66 Ų66124.6 Ų124.668%0.6872%0.722SS**  cis167.6158.6-3.800000111.6
326E30.7Very low27.1Very low173 Ų173124.4 Ų124.481%0.80873%0.726SS**  trans62154.9178.7-69.7-155.4119.300116.7
327K25.4Very low27.2Very low165 Ų165125.2 Ų125.272%0.71773%0.727SS**  cis-170.2164.9-29-162.4179-155.1155.30108.4
328C25Very low27.3Very low92 Ų92126.2 Ų126.262%0.62273%0.728SS**  trans65106.9167.8-730000119.2
329E24.6Very low27.3Very low172 Ų172126.3 Ų126.380%0.80473%0.726SS**  63147.9117.5-65.8168.412800123.5
330S26Very low27.3Very low104 Ų104130.7 Ų130.773%0.72774%0.736SS**  trans77.3113.8158.764.80000120.8
331D27Very low27.4Very low147 Ų147129.5 Ų129.579%0.78673%0.733SS**  6496.9123.3-55.9-9.3000122.1
332S25Very low27.5Very low105 Ų105132 Ų13273%0.73474%0.739SS**  88.1130.6116.778.70000121.6
333S26.4Very low27.4Very low100 Ų100131.7 Ų131.770%0.69974%0.743SS**  trans82.9128.2137.275.60000121.8
334T25.1Very low27.2Very low132 Ų132130.5 Ų130.581%0.8175%0.745SS**  trans67.9117142.7360000122.9
335A27.2Very low27.3Very low79 Ų79132.2 Ų132.265%0.65375%0.746SS**  102.1110118.600000121.3
336T25.8Very low27.2Very low132 Ų132133.3 Ų133.381%0.8174%0.743SS**  69.3112.112958.40000122.6
337S26.5Very low27.1Very low105 Ų105131.4 Ų131.473%0.73474%0.743SS**  96.9155.6122-156.40000120.5
338E30.1Very low27.5Very low171 Ų171129.3 Ų129.380%0.79974%0.74SS**  trans72.7150166.2-49.8-157150.600119.4
339K26.5Very low27.8Very low155 Ų155131.9 Ų131.967%0.67475%0.746SS**  cis-177.9115.6-46.8-121.2-173.6176.8-179.50109.4
340F27.7Very low28.5Very low204 Ų204128.9 Ų128.990%0.89574%0.74SS**  trans-149.8126158.4-82.1-85.8000107.8
341H28.4Very low29.2Very low135 Ų135128.9 Ų128.963%0.62573%0.728SS**  cis70.4123.247.9-74.2-70.1000112.2
342L27.1Very low29.8Very low154 Ų154129.3 Ų129.381%0.80673%0.725SS**  cis-154-163.116.1-78.7125000110.6
343P28.9Very low30.9Very low106 Ų106129 Ų12969%0.68872%0.716SS**  -134.6149.2-65.439.1-22.9000117.5
344V28.4Very low31.8Very low127 Ų127129 Ų12977%0.7771%0.707SS**  trans21.2124.7135.8-164.90000122.1
345N30.2Very low32.8Very low153 Ų153127.6 Ų127.682%0.81869%0.687SS**  174.7154126.7-94.1-14000111.9
346S28.8Very low33.9Very low89 Ų89125.8 Ų125.862%0.62267%0.672SS**  cis-176.494.5-30.952.10000111.7
347T28.3Very low35.1Very low133 Ų133123.4 Ų123.482%0.81665%0.654SS**  trans178.3115.3156310000109.2
348D33.3Very low35.8Very low121 Ų121120.2 Ų120.265%0.64763%0.627SS**  trans155.186.7151.8-83.2-23.2000109.3
349I31.5Very low36.6Very low146 Ų146117.8 Ų117.875%0.74961%0.614SS**  trans-115.43.6-171.5-56.2179.6000111.3N353I349-N353 PolarHBondContact O-ND2 2.75Å
350T41.2Very low37.9Very low109 Ų109116.6 Ų116.667%0.66961%0.609SS**SBendtrans-92.7-40.418035.60000113.7Q352T350-Q352 PolarHBondContact O-N 3.25Å
351E40.1Very low38.5Very low104 Ų104111.4 Ų111.449%0.48659%0.59SS.*Hα-helixtrans-68.9-35.5-172-61.6-159.2148.400114.1N353 L354E351-N353 PolarHBondContact O-N 3.13Å; E351-L354 PolarHBondContact O-N 3.09Å
352Q39.4Very low38.9Very low155 Ų155108.5 Ų108.572%0.72458%0.577SS**Hα-helixtrans-63.8-26.3-176.6-66.8-173.3-6.600113.4T350 W355 A356T350-Q352 PolarHBondContact O-N 3.25Å; Q352-W355 PolarHBondContact O-N 3.18Å; Q352-A356 PolarHBondContact O-N 3.2Å; Q352-A356 VanDerWaalsContact O-N 3.14Å
353N47.1Very low39.5Very low100 Ų100104.9 Ų104.954%0.53557%0.569SS.*Hα-helixtrans-69.4-36.8179.1-69-39.2000112.3I349 E351 W355 A356 D357I349-N353 PolarHBondContact O-ND2 2.75Å; E351-N353 PolarHBondContact O-N 3.13Å; N353-W355 VanDerWaalsContact C-N 3.31Å; N353-W355 PolarHBondContact O-N 2.89Å; N353-A356 PolarHBondContact O-N 3.27Å; N353-D357 PolarHBondContact O-N 3.49Å
354L46.6Very low39.9Very low98 Ų98106.4 Ų106.451%0.51357%0.571SS.*Hα-helixtrans-59.6-42.8175.6-88.4164.5000111.4E351 D357 F358E351-L354 PolarHBondContact O-N 3.09Å; L354-D357 PolarHBondContact O-N 3.44Å; L354-F358 WeakPolarHBondContact O-CB 3.48Å; L354-F358 PolarHBondContact O-N 2.71Å
355W46.3Very low40Very low103 Ų103106.4 Ų106.439%0.3957%0.567SS.*Hα-helixtrans-68.7-36.7177.8-167.5-114.1000112.5Q352 N353 F358 K359Q352-W355 PolarHBondContact O-N 3.18Å; N353-W355 VanDerWaalsContact C-N 3.31Å; N353-W355 PolarHBondContact O-N 2.89Å; W355-F358 PolarHBondContact O-N 2.76Å; W355-K359 PolarHBondContact O-N 3.31Å
356A49.4Very low39.9Very low42 Ų42106.3 Ų106.335%0.34756%0.56SS.*Hα-helixtrans-65.5-42.1174.800000112.3Q352 N353 K359 K360Q352-A356 PolarHBondContact O-N 3.2Å; Q352-A356 VanDerWaalsContact O-N 3.14Å; N353-A356 PolarHBondContact O-N 3.27Å; A356-K359 PolarHBondContact O-N 3.23Å; A356-K360 WeakPolarHBondContact O-CG 3.3Å; A356-K360 PolarHBondContact O-N 3.32Å
357D50.3Low39.8Very low81 Ų81110.3 Ų110.343%0.43357%0.569SS.*Hα-helixtrans-72.2-32.9176.9-71.6-22.5000112.4N353 L354 K359 K360 L361N353-D357 PolarHBondContact O-N 3.49Å; L354-D357 PolarHBondContact O-N 3.44Å; D357-K359 VanDerWaalsContact C-N 3.34Å; D357-K359 PolarHBondContact O-N 3.17Å; D357-K360 PolarHBondContact O-N 2.97Å; D357-K360 WeakPolarHBondContact OD1-CD 3.29Å; D357-K360 WeakPolarHBondContact OD1-CE 3.31Å; D357-K360 IonicContact OD1-NZ 3.22Å; D357-K360 PolarHBondContact OD1-NZ 3.12Å; D357-L361 PolarHBondContact O-N 2.66Å
358F42.5Very low39.8Very low38 Ų38110 Ų11017%0.16756%0.562CS.*Hα-helixtrans-59.3-45.5169.7-142.7-75.2000111.2L354 W355 K360 L361 E362 P524 L530L354-F358 WeakPolarHBondContact O-CB 3.48Å; L354-F358 PolarHBondContact O-N 2.71Å; W355-F358 PolarHBondContact O-N 2.76Å; F358-K360 PolarHBondContact O-N 2.98Å; F358-L361 WeakPolarHBondContact O-CB 3.36Å; F358-L361 PolarHBondContact O-N 3.05Å; F358-L361 VanDerWaalsContact O-N 3.17Å; F358-E362 PolarHBondContact O-N 3.1Å; F358-P524 HydrophobicContact CD1-CG 4.32Å; F358-P524 HydrophobicContact CE1-CB 3.98Å; F358-P524 HydrophobicContact CE1-CG 3.9Å; F358-L530 HydrophobicContact CE2-CD1 3.96Å; F358-L530 HydrophobicContact CZ-CD1 4.36Å
359K47.5Very low39.4Very low121 Ų121110.4 Ų110.453%0.52656%0.563SS.*Hα-helixtrans-66.6-30.9175.7-76.5-161.1168.3-159.60113.9W355 A356 D357 L361 E362 A363W355-K359 PolarHBondContact O-N 3.31Å; A356-K359 PolarHBondContact O-N 3.23Å; D357-K359 VanDerWaalsContact C-N 3.34Å; D357-K359 PolarHBondContact O-N 3.17Å; K359-L361 VanDerWaalsContact C-N 3.28Å; K359-L361 PolarHBondContact O-N 3.08Å; K359-E362 PolarHBondContact O-N 3.27Å; K359-A363 WeakPolarHBondContact O-CB 3.47Å; K359-A363 PolarHBondContact O-N 3.15Å
360K52Low39.1Very low129 Ų129109.7 Ų109.756%0.56156%0.561SS**Hα-helixtrans-66.7-29.2172.5-70.1170.8-161.2161.70112.6A356 D357 F358 N364A356-K360 WeakPolarHBondContact O-CG 3.3Å; A356-K360 PolarHBondContact O-N 3.32Å; D357-K360 PolarHBondContact O-N 2.97Å; D357-K360 WeakPolarHBondContact OD1-CD 3.29Å; D357-K360 WeakPolarHBondContact OD1-CE 3.31Å; D357-K360 IonicContact OD1-NZ 3.22Å; D357-K360 PolarHBondContact OD1-NZ 3.12Å; F358-K360 PolarHBondContact O-N 2.98Å; K360-N364 PolarHBondContact O-ND2 2.93Å
361L40.8Very low38.4Very low96 Ų96114 Ų11450%0.50357%0.571SS.*Hα-helixtrans-73.7-42.1174.7-80.3160.8000111.8D357 F358 K359D357-L361 PolarHBondContact O-N 2.66Å; F358-L361 WeakPolarHBondContact O-CB 3.36Å; F358-L361 PolarHBondContact O-N 3.05Å; F358-L361 VanDerWaalsContact O-N 3.17Å; K359-L361 VanDerWaalsContact C-N 3.28Å; K359-L361 PolarHBondContact O-N 3.08Å
362E37.6Very low37.7Very low74 Ų74113.4 Ų113.435%0.34657%0.568SS.*Hα-helixtrans-68.5-38.8174-76.7-172.8118.700113.4F358 K359 N364 N365 P524F358-E362 PolarHBondContact O-N 3.1Å; K359-E362 PolarHBondContact O-N 3.27Å; E362-N364 PolarHBondContact O-N 2.94Å; E362-N365 PolarHBondContact O-N 3.39Å; E362-P524 WeakPolarHBondContact OE1-CG 3.48Å
363A39.7Very low37Very low78 Ų78110.8 Ų110.865%0.64556%0.564SS**THydrogen-bonded Turntrans-64.8-4.3-174.300000115.5K359K359-A363 WeakPolarHBondContact O-CB 3.47Å; K359-A363 PolarHBondContact O-N 3.15Å
364N37Very low36Very low137 Ų137114.9 Ų114.973%0.73358%0.578SS**THydrogen-bonded Turntrans-94.3-3.1174-69-49000113.9K360 E362K360-N364 PolarHBondContact O-ND2 2.93Å; E362-N364 PolarHBondContact O-N 2.94Å
365N30.9Very low35Very low128 Ų128113.6 Ų113.668%0.68457%0.574SS**SBendtrans-146.380.9176.9-92.6-29.6000110.5E362E362-N365 PolarHBondContact O-N 3.39Å
366F26.8Very low34.2Very low151 Ų151111.9 Ų111.966%0.66258%0.582SS**  trans-155.6114.1174.2-131.4-79.8000113
367E27.5Very low33.2Very low173 Ų173115.4 Ų115.481%0.80860%0.601SS**  trans-164.7117.1146.6-106.6-172.3175.900109.3
368L27.3Very low31.9Very low127 Ų127115.8 Ų115.867%0.66561%0.609SS**  trans57.3146.1138.2-50.1168.7000120.9
369D26.1Very low31.3Very low128 Ų128118.4 Ų118.468%0.68464%0.638SS**  cis-166.9162.5-31.1-109.1-1.7000108.3
370D25.5Very low30.3Very low131 Ų131117.9 Ų117.970%0.70164%0.638SS**  trans22.2116.4160.8-63.3-18.3000121.9
371F25.9Very low29.2Very low199 Ų199116.7 Ų116.787%0.87365%0.646SS**  176.3136.7101.5-110.2-87000112.8
372E25Very low28.6Very low93 Ų93120.7 Ų120.744%0.43567%0.667SS.*  trans-86.6135.5179.1-70-166.4144.900114.4L865E372-L865 WeakPolarHBondContact OE1-CD2 3.15Å; E372-L865 VanDerWaalsContact OE1-CG 3.3Å; E372-L865 WeakPolarHBondContact OE1-CG 3.38Å
373P25.5Very low28.2Very low99 Ų99122 Ų12264%0.64368%0.677SS**  trans-10898.5164.735-25.4000112.4T375P373-T375 PolarHBondContact O-N 3.47Å
374F25.4Very low27.7Very low186 Ų186122.8 Ų122.882%0.81667%0.67SS**  trans-54.2123.1175.7-99.5-109.7000113.1
375T26.3Very low27.3Very low72 Ų72121.8 Ų121.844%0.44267%0.669SS.*  trans-142.2153.9165.850.80000113.8P373 N863P373-T375 PolarHBondContact O-N 3.47Å; T375-N863 PolarHBondContact O-ND2 3.24Å; T375-N863 PolarHBondContact OG1-ND2 3.49Å
376A28.1Very low27.2Very low67 Ų67124 Ų12455%0.55467%0.668SS**  trans77158.5178.100000116.6A860A376-A860 HydrophobicContact CB-CB 3.84Å
377P28.8Very low27.2Very low115 Ų115118.2 Ų118.275%0.74765%0.646SS**  cis-121.2170.2-1.736.1-19.6000115.2
378C23.4Very low27.2Very low89 Ų89113.9 Ų113.960%0.60163%0.625SS**  trans-73.8161.9171.9-54.90000113.1K1113C378-K1113 HydrophobicContact CB-CD 4.18Å; C378-K1113 HydrophobicContact CB-CG 3.66Å; C378-K1113 WeakPolarHBondContact O-CE 3.28Å; C378-K1113 PolarHBondContact O-NZ 2.98Å
379A29.9Very low27.3Very low94 Ų94110 Ų11078%0.77760%0.604SS**  trans-134.4151162.900000110.8
380E26.3Very low27.3Very low110 Ų110107.3 Ų107.351%0.51459%0.593SS.*  trans-119.9124.2175.3-78.3175.4138.300110.2G1112 K1113E380-G1112 VanDerWaalsContact OE1-C 3.23Å; E380-G1112 WeakPolarHBondContact OE1-CA 3.42Å; E380-K1113 HydrophobicContact CB-CD 4.41Å; E380-K1113 HydrophobicContact CG-CB 3.94Å; E380-K1113 HydrophobicContact CG-CD 4.03Å; E380-K1113 HydrophobicContact CG-CG 3.85Å; E380-K1113 PolarHBondContact OE1-N 3.19Å; E380-K1113 WeakPolarHBondContact OE2-CB 3.24Å
381S30Very low27.2Very low104 Ų104105.7 Ų105.773%0.72759%0.591SS**  trans-169.7128.9150.950.70000108.8D383S381-D383 PolarHBondContact O-N 3.48Å
382D27.7Very low27.4Very low179 Ų179101.9 Ų101.996%0.95759%0.587SS**SBendtrans-79.493.5-177.2-65.3-69000112.7
383D30Very low27.4Very low101 Ų101101.6 Ų101.654%0.5460%0.596SS.*  trans-153.421.7158-15930.8000114.9S381 T385 R386S381-D383 PolarHBondContact O-N 3.48Å; D383-T385 PolarHBondContact O-N 3.11Å; D383-R386 IonicContact OD2-NH1 2.67Å; D383-R386 PolarHBondContact OD2-NH1 3.25Å; D383-R386 VanDerWaalsContact OD2-NH1 3.17Å
384D28.5Very low27.6Very low95 Ų95103.6 Ų103.651%0.50860%0.601SS.*THydrogen-bonded Turntrans-71.238.3-170.7-85.71.7000116T71T71-D384 VanDerWaalsContact CB-OD2 3.31Å; T71-D384 WeakPolarHBondContact CB-OD2 3.38Å; T71-D384 PolarHBondContact OG1-OD2 3.36Å
385T29.4Very low27.6Very low116 Ų116102.4 Ų102.471%0.71260%0.602SS**THydrogen-bonded Turntrans-86.3-13.1170.5-35.60000112.3D383D383-T385 PolarHBondContact O-N 3.11Å
386R28.5Very low27.6Very low175 Ų175106 Ų10666%0.6662%0.624SS**  trans-92.490.7177.4-71.1176.6166.4120.6-13.3112D383D383-R386 IonicContact OD2-NH1 2.67Å; D383-R386 PolarHBondContact OD2-NH1 3.25Å; D383-R386 VanDerWaalsContact OD2-NH1 3.17Å
387S26.5Very low27.6Very low29 Ų29106.2 Ų106.220%0.20363%0.633CS.*SBendtrans-157.3-10.6169.240.20000116.3H68H68-S387 PolarHBondContact ND1-O 2.85Å; H68-S387 PolarHBondContact O-OG 3.37Å
388F26.7Very low27.4Very low82 Ų82108.5 Ų108.536%0.3664%0.639SS.*SBendtrans-108.2-2.1-178.1-136-96.4000114.4H68H68-F388 HydrophobicContact CB-CD2 4.22Å; H68-F388 HydrophobicContact CB-CE2 4.38Å
389I29Very low27.6Very low45 Ų45110.6 Ų110.623%0.23165%0.649CS.*SBendtrans-147.7116.3-165.6-70.8-173.6000111.2D152D152-I389 HydrophobicContact CB-CG2 3.71Å
390T28Very low27.3Very low73 Ų73112.9 Ų112.945%0.44865%0.648SS.*  trans73.3142.3164.2-34.50000119.9R251R251-T390 PolarHBondContact NH1-OG1 3.43Å; R251-T390 PolarHBondContact NH2-OG1 3.23Å
391C23.6Very low27.3Very low97 Ų97118.4 Ų118.466%0.65567%0.666SS**  trans-124.3144.7164-59.10000111.1
392C28.5Very low27.1Very low118 Ų118117.5 Ų117.580%0.79767%0.665SS**  trans-166.9132.7150.9-92.50000105.6
393S26.2Very low27.1Very low88 Ų88114.8 Ų114.862%0.61566%0.659SS**  66.7128.882.2110.80000111.9
394D29.1Very low27.4Very low141 Ų141115.5 Ų115.575%0.75467%0.67SS**  cis-144.6173.611.4-77.9-68.5000113
395L24.8Very low27.3Very low161 Ų161119.1 Ų119.184%0.84369%0.688SS**  trans-69.7137.5167.6-71.576.5000110.8
396T27.7Very low27.2Very low148 Ų148118 Ų11891%0.90869%0.691SS**  trans-176.6152.9136.418.20000112
397G27.1Very low27.2Very low71 Ų71114.5 Ų114.573%0.73269%0.693SS**  trans95.8104136.900000117.9
398N25.2Very low27.3Very low162 Ų162119.2 Ų119.287%0.86672%0.716SS**  trans-38.1136.8160.8-54.5-17.3000114.4
399T26.5Very low27.3Very low133 Ų133123.6 Ų123.682%0.81674%0.735SS**  trans-147.1109.5133.826.30000110.1
400D24.2Very low27.4Very low142 Ų142129.8 Ų129.876%0.75976%0.763SS**  trans-55.3149.8141.9-75.2-67.4000108.7
401Y26.1Very low27.2Very low227 Ų227130 Ų13089%0.8977%0.768SS**  -173.4129.3122.4-96.4-59.3000110.8
402A26.2Very low27.5Very low85 Ų85135.8 Ų135.870%0.70278%0.782SS**  trans-86.7152.5162.800000110.6
403S27.6Very low27.5Very low121 Ų121136.7 Ų136.785%0.84678%0.779SS**  trans112.5149.8159.2-48.40000116.5
404P35.2Very low27.7Very low116 Ų116140.2 Ų140.275%0.75379%0.791SS**  trans-120.6141.1-166.738.7-23.9000115.7
405L27.5Very low27.8Very low172 Ų172139.2 Ų139.290%0.90179%0.792SS**  trans-146.4135.6150-78.4105.4000107.3
406A27Very low28Very low92 Ų92134.7 Ų134.776%0.7679%0.785SS**  cis84.892.436.800000114.8
407S28.7Very low28.2Very low102 Ų102134.4 Ų134.471%0.71378%0.776SS**  trans-169132.2146.259.30000112.8
408N28.9Very low28.1Very low128 Ų128141.2 Ų141.268%0.68479%0.785SS**  trans53.9127.2141.9-55.6-14.1000119.1
409F26.5Very low28.3Very low174 Ų174138.1 Ų138.176%0.76378%0.777SS**  cis-148.5177.210.1-79.1-55.8000108.9
410Q30.4Very low28.3Very low175 Ų175137.4 Ų137.482%0.81878%0.775SS**  cis-145.6-165.88.1-145.2164.231.800111.3
411S24.3Very low28.7Very low78 Ų78140.8 Ų140.855%0.54578%0.784SS.*  trans-98.4144.8-172.653.40000115
412F30.5Very low28.7Very low217 Ų217137.1 Ų137.195%0.95278%0.779SS**  trans-150.9104.9136-101-68.8000109.6
413D28Very low29Very low137 Ų137142.3 Ų142.373%0.73379%0.789SS**  trans-83144.6-179.3-63.9-85.4000113.3
414N31.1Very low29Very low162 Ų162145.2 Ų145.287%0.86679%0.787SS**  -172161.3123.4-99.2-39.6000111.2
415P31Very low28.7Very low121 Ų121145.8 Ų145.879%0.78679%0.791SS**  trans-123.8163.2-136.240.7-28.3000115.6
416G28Very low28.8Very low66 Ų66143.9 Ų143.968%0.6879%0.786SS**  trans-164.4144.1165.200000111.4
417I31.3Very low28.8Very low141 Ų141145.4 Ų145.472%0.72379%0.791SS**  trans61.383.1169.3-46176.5000114.6
418K26.9Very low28.6Very low214 Ų214143.4 Ų143.493%0.9379%0.786SS**  trans-118.578.6164.5-92.1-172.6175.6175.60111.6
419S27.5Very low28.5Very low98 Ų98144.8 Ų144.869%0.68579%0.792SS**  trans-161.2142.8161.548.20000107
420C28.2Very low28.5Very low117 Ų117146.2 Ų146.279%0.79180%0.801SS**SBendcis-125.21.920.5-610000115.6N422C420-N422 PolarHBondContact O-N 2.72Å
421F31.3Very low28.8Very low213 Ų213146.4 Ų146.493%0.93480%0.802SS**  trans-82.480.9-176.3-74.5-80000113
422N26.6Very low29.8Very low150 Ų150148.9 Ų148.980%0.80281%0.809SS**  trans-153.765.3170.6-131.9-14.4000113.3C420C420-N422 PolarHBondContact O-N 2.72Å
423Q32.8Very low31.1Very low194 Ų194142 Ų14291%0.90779%0.787SS**  trans-116.4120.2156.6-70.7-169.9-1.200108.6
424K27.5Very low33.6Very low183 Ų183137.6 Ų137.680%0.79677%0.774SS**  trans-64.2143.8168.8-67.8176.4176.2178.60108.5V426K424-V426 PolarHBondContact O-N 2.95Å
425P28Very low36.4Very low128 Ų128131.2 Ų131.283%0.83174%0.738SS**  trans-61.5112.4164.527.2-32.5000108.3
426V30.1Very low39.3Very low132 Ų132127.9 Ų127.980%0.871%0.714SS**  trans-68.1132.4170.71760000107.3K424 G428K424-V426 PolarHBondContact O-N 2.95Å; V426-G428 PolarHBondContact O-N 2.82Å
427S26.8Very low42.5Very low124 Ų124124.8 Ų124.887%0.86768%0.681SS**SBendtrans-69.892.9-179.751.30000110.9
428G25.2Very low45.6Very low59 Ų59118 Ų11861%0.60865%0.647SS**  trans178.4129.3173.500000114.1V426V426-G428 PolarHBondContact O-N 2.82Å
429I26.9Very low48.9Very low158 Ų158107.9 Ų107.981%0.8160%0.603SS**  trans63.4102164.6-48.5175.2000115.7Q431I429-Q431 PolarHBondContact O-N 3.19Å; I429-Q431 VanDerWaalsContact O-N 3.08Å
430Q27Very low52.2Low204 Ų204103.2 Ų103.295%0.95357%0.57SS**  trans-68.199.8158.8-75.5178.1-6000109.6N432Q430-N432 PolarHBondContact O-N 2.92Å
431Q35.2Very low55.5Low179 Ų17997.6 Ų97.684%0.83653%0.532SS*.  trans-84112.5172.7-140.2173.41700109.4I429 C433I429-Q431 PolarHBondContact O-N 3.19Å; I429-Q431 VanDerWaalsContact O-N 3.08Å; Q431-C433 PolarHBondContact O-N 2.83Å
432N45.2Very low58.6Low130 Ų13087.5 Ų87.570%0.69549%0.488SS*.  trans-68.9104-168.8-163.521.2000111.2Q430 G434 P560Q430-N432 PolarHBondContact O-N 2.92Å; N432-G434 PolarHBondContact O-N 2.98Å; N432-P560 PolarHBondContact ND2-O 3.35Å
433C59.4Low61.7Low72 Ų7280.5 Ų80.549%0.48645%0.45SS..  trans-81106.1-175.5-159.70000110.4Q431 R482Q431-C433 PolarHBondContact O-N 2.83Å; C433-R482 PolarHBondContact SG-NE 3.27Å
434G80Confident64.2Low45 Ų4571.5 Ų71.546%0.46441%0.41SS..  trans-58145.6-173.800000114.3N432N432-G434 PolarHBondContact O-N 2.98Å
435K90.3Very high66.9Low27 Ų2762.9 Ų62.912%0.11737%0.373CS..  trans-69.5132.5176.2-60.6-63.7-168.41740110.7N481 R482 I483 A484 F556 E561 F565K435-N481 WeakPolarHBondContact CD-O 3.25Å; K435-N481 PolarHBondContact NZ-O 3.48Å; K435-R482 CarbonylContact C-O 3.45Å; K435-R482 VanDerWaalsContact CA-O 3.29Å; K435-R482 WeakPolarHBondContact CA-O 3.11Å; K435-I483 PolarHBondContact NZ-O 3.45Å; K435-A484 HydrophobicContact CD-CB 4.04Å; K435-A484 HydrophobicContact CG-CB 4.08Å; K435-F556 HydrophobicContact CB-CZ 4.15Å; K435-F556 HydrophobicContact CG-CE2 4.4Å; K435-F556 HydrophobicContact CG-CZ 4.23Å; K435-E561 WeakPolarHBondContact CE-OE2 3.3Å; K435-E561 HydrophobicContact CG-CB 4.05Å; K435-E561 VanDerWaalsContact CG-O 3.31Å; K435-E561 WeakPolarHBondContact CG-O 3.46Å; K435-E561 IonicContact NZ-OE2 3.73Å; K435-F565 HydrophobicContact CB-CD2 4.03Å; K435-F565 HydrophobicContact CB-CE2 4.35Å; K435-F565 WeakPolarHBondContact O-CD2 3.43Å
436L91.2Very high69.5Low51 Ų5156.9 Ų56.927%0.26733%0.334SS..SBendtrans-92.5-21.6173.8-66178.6000112.5L479 R482 G567 K568 L895 L897L436-L479 HydrophobicContact CD1-CD2 4.29Å; L436-R482 HydrophobicContact CB-CB 4.42Å; L436-R482 HydrophobicContact CD1-CB 4.33Å; L436-R482 HydrophobicContact CG-CB 4.22Å; L436-R482 PolarHBondContact N-O 3.22Å; L436-G567 CarbonylContact O-C 3.59Å; L436-G567 WeakPolarHBondContact O-CA 3.42Å; L436-K568 PolarHBondContact O-N 2.85Å; L436-L895 HydrophobicContact CB-CD1 4.35Å; L436-L895 HydrophobicContact CB-CD2 4.25Å; L436-L897 HydrophobicContact CD1-CD1 4.4Å
437V94.6Very high71.9Confident1 Ų150.7 Ų50.71%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-142.1135.3-172.2-169.50000110.4I439 R482 I483 A484 K568 I891 L895V437-I439 HydrophobicContact CG1-CG1 4.24Å; V437-R482 PolarHBondContact N-O 3.21Å; V437-I483 HydrophobicContact CB-CG1 4.37Å; V437-I483 HydrophobicContact CB-CG2 4.46Å; V437-A484 PolarHBondContact O-N 3.3Å; V437-K568 WeakPolarHBondContact CA-O 3.45Å; V437-I891 HydrophobicContact CB-CG2 4.41Å; V437-I891 HydrophobicContact CG1-CD1 4.16Å; V437-I891 HydrophobicContact CG1-CG1 4.38Å; V437-I891 HydrophobicContact CG1-CG2 4.16Å; V437-I891 HydrophobicContact CG2-CG2 3.55Å; V437-L895 HydrophobicContact CG2-CD1 3.69Å; V437-L895 HydrophobicContact CG2-CD2 4.27Å; V437-L895 HydrophobicContact CG2-CG 4.32Å
438L96.3Very high74.3Confident0 Ų046.6 Ų46.60%027%0.265CS..EExtended strand (participates in β ladder)trans-111.5120.5167177.467.1000108.7L440 A484 K486 Y553 F556 F565 K568 V569 C570L438-L440 HydrophobicContact CD1-CD2 4.07Å; L438-L440 HydrophobicContact CD2-CD1 4.37Å; L438-L440 HydrophobicContact CD2-CD2 3.79Å; L438-L440 HydrophobicContact CD2-CG 3.97Å; L438-L440 HydrophobicContact CG-CD2 3.91Å; L438-L440 HydrophobicContact CG-CG 4.07Å; L438-A484 HydrophobicContact CD1-CB 4.05Å; L438-K486 HydrophobicContact CD1-CG 3.93Å; L438-Y553 HydrophobicContact CD2-CD2 3.66Å; L438-Y553 HydrophobicContact CD2-CE2 4.14Å; L438-F556 HydrophobicContact CB-CD1 4.45Å; L438-F556 HydrophobicContact CB-CE1 4.05Å; L438-F556 HydrophobicContact CB-CZ 4.49Å; L438-F556 HydrophobicContact CD1-CB 4.43Å; L438-F556 HydrophobicContact CD1-CD1 3.81Å; L438-F556 HydrophobicContact CD1-CD2 3.97Å; L438-F556 HydrophobicContact CD1-CE1 3.95Å; L438-F556 HydrophobicContact CD1-CE2 4.13Å; L438-F556 HydrophobicContact CD1-CG 3.78Å; L438-F556 HydrophobicContact CD1-CZ 4.12Å; L438-F556 HydrophobicContact CD2-CB 4.5Å; L438-F556 HydrophobicContact CD2-CD1 3.56Å; L438-F556 HydrophobicContact CD2-CE1 3.98Å; L438-F556 HydrophobicContact CD2-CG 4.15Å; L438-F556 HydrophobicContact CG-CD1 4.14Å; L438-F556 HydrophobicContact CG-CE1 4.21Å; L438-F565 HydrophobicContact CB-CE1 4.24Å; L438-F565 HydrophobicContact CB-CE2 4.05Å; L438-F565 HydrophobicContact CB-CZ 3.61Å; L438-K568 PolarHBondContact N-O 3.06Å; L438-V569 HydrophobicContact CD2-CG1 4.36Å; L438-V569 HydrophobicContact CD2-CG2 4.44Å; L438-V569 WeakPolarHBondContact O-CA 3.39Å; L438-C570 PolarHBondContact O-N 3.38Å
439I97Very high76.7Confident0 Ų046.7 Ų46.70%025%0.251CS..EExtended strand (participates in β ladder)trans-99.7110.7168.3-53.3-179.2000107.5V437 V441 F464 I483 A484 V485 K486 C570 V572 I887 I891V437-I439 HydrophobicContact CG1-CG1 4.24Å; I439-V441 HydrophobicContact CG2-CG2 3.91Å; I439-F464 HydrophobicContact CG2-CE1 4.4Å; I439-I483 HydrophobicContact CD1-CG2 3.73Å; I439-I483 HydrophobicContact CG1-CG2 3.93Å; I439-A484 PolarHBondContact N-O 3.01Å; I439-V485 HydrophobicContact CB-CG2 4.41Å; I439-V485 HydrophobicContact CD1-CG2 4.42Å; I439-V485 WeakPolarHBondContact O-CA 3.34Å; I439-K486 PolarHBondContact O-N 3.31Å; I439-C570 WeakPolarHBondContact CA-O 3.22Å; I439-V572 HydrophobicContact CG2-CB 4.18Å; I439-V572 HydrophobicContact CG2-CG2 3.58Å; I439-I887 HydrophobicContact CD1-CG2 4.42Å; I439-I891 HydrophobicContact CD1-CD1 3.79Å; I439-I891 HydrophobicContact CG1-CD1 4.27Å
440L97.3Very high78.5Confident0 Ų040.6 Ų40.60%022%0.222CC..EExtended strand (participates in β ladder)trans-91.6118.5167.9-61.4179.3000107.9L438 K486 V488 L549 V569 C570 L571 V572 F673L438-L440 HydrophobicContact CD1-CD2 4.07Å; L438-L440 HydrophobicContact CD2-CD1 4.37Å; L438-L440 HydrophobicContact CD2-CD2 3.79Å; L438-L440 HydrophobicContact CD2-CG 3.97Å; L438-L440 HydrophobicContact CG-CD2 3.91Å; L438-L440 HydrophobicContact CG-CG 4.07Å; L440-K486 HydrophobicContact CD2-CB 3.95Å; L440-V488 HydrophobicContact CB-CG2 3.98Å; L440-V488 HydrophobicContact CD2-CG2 4.07Å; L440-V488 HydrophobicContact CG-CG2 4.45Å; L440-L549 HydrophobicContact CB-CD2 4.43Å; L440-L549 HydrophobicContact CD1-CD2 3.97Å; L440-V569 HydrophobicContact CD1-CG1 4.2Å; L440-V569 HydrophobicContact CG-CG1 4.36Å; L440-C570 PolarHBondContact N-O 2.71Å; L440-L571 HydrophobicContact CB-CD2 3.73Å; L440-L571 HydrophobicContact CD1-CD2 4.16Å; L440-L571 HydrophobicContact CG-CD2 4.44Å; L440-L571 WeakPolarHBondContact O-CA 3.13Å; L440-V572 PolarHBondContact O-N 3.25Å; L440-F673 HydrophobicContact CD1-CE1 4.19Å; L440-F673 HydrophobicContact CD1-CE2 3.88Å; L440-F673 HydrophobicContact CD1-CZ 3.4Å; L440-F673 VanDerWaalsContact CD1-CZ 3.4Å
441V96.7Very high80Confident0 Ų035.5 Ų35.50%021%0.206CC..EExtended strand (participates in β ladder)trans-101107.4-177.6-173.20000109.4I439 H443 I461 F464 V485 K486 V488 V572 W878I439-V441 HydrophobicContact CG2-CG2 3.91Å; V441-H443 PolarHBondContact O-N 2.86Å; V441-I461 HydrophobicContact CB-CD1 3.39Å; V441-I461 HydrophobicContact CG1-CD1 3.42Å; V441-I461 VanDerWaalsContact CG1-CD1 3.42Å; V441-I461 HydrophobicContact CG2-CD1 3.96Å; V441-F464 HydrophobicContact CG2-CD1 4.09Å; V441-F464 HydrophobicContact CG2-CE1 4.04Å; V441-V485 HydrophobicContact CG2-CG1 3.83Å; V441-K486 PolarHBondContact N-O 2.85Å; V441-V488 PolarHBondContact O-N 3.21Å; V441-V572 CarbonylContact C-O 3.53Å; V441-V572 VanDerWaalsContact CA-O 3.23Å; V441-V572 WeakPolarHBondContact CA-O 3.34Å; V441-V572 HydrophobicContact CG1-CG1 4.45Å; V441-V572 HydrophobicContact CG2-CB 4.39Å; V441-W878 HydrophobicContact CG1-CH2 3.66Å; V441-W878 HydrophobicContact CG1-CZ3 3.54Å
442I95.5Very high81.4Confident0 Ų032.5 Ų32.50%019%0.187CC..EExtended strand (participates in β ladder)trans-83.699.3179.4-57.8172.8000107.9V488 C490 L545 L549 L571 V572 A573 D574 A581I442-V488 WeakPolarHBondContact CA-O 3.21Å; I442-C490 HydrophobicContact CG2-CB 3.74Å; I442-C490 VanDerWaalsContact CG2-SG 3.59Å; I442-L545 HydrophobicContact CD1-CD1 4.47Å; I442-L545 HydrophobicContact CG1-CD1 4.46Å; I442-L545 HydrophobicContact CG2-CD1 3.76Å; I442-L545 HydrophobicContact CG2-CD2 4.25Å; I442-L549 HydrophobicContact CD1-CD1 4.15Å; I442-L549 HydrophobicContact CD1-CD2 3.97Å; I442-L549 HydrophobicContact CG1-CD2 4.04Å; I442-L571 HydrophobicContact CD1-CD1 4.07Å; I442-L571 HydrophobicContact CD1-CD2 4.39Å; I442-V572 PolarHBondContact N-O 3.41Å; I442-A573 HydrophobicContact CB-CB 3.95Å; I442-A573 WeakPolarHBondContact O-CA 3.5Å; I442-D574 PolarHBondContact O-N 2.88Å; I442-A581 HydrophobicContact CD1-CB 3.73Å
443H92.6Very high82.7Confident3 Ų329.2 Ų29.21%0.01417%0.17CC..EExtended strand (participates in β ladder)trans-104.5107.4-173.8-167.3-51.5000111.1V441 G445 K457 D460 L487 V488 C490 D574 H874 W878V441-H443 PolarHBondContact O-N 2.86Å; H443-G445 PolarHBondContact ND1-N 3.43Å; H443-K457 HydrophobicContact CB-CD 4.37Å; H443-K457 WeakPolarHBondContact ND1-CD 2.9Å; H443-K457 WeakPolarHBondContact ND1-CE 3.04Å; H443-K457 WeakPolarHBondContact ND1-CG 3.25Å; H443-K457 PolarHBondContact O-NZ 3.4Å; H443-D460 IonicContact CD2-OD2 3.15Å; H443-D460 IonicContact CE1-OD2 3.74Å; H443-D460 IonicContact NE2-OD2 3.35Å; H443-D460 PolarHBondContact NE2-OD2 2.67Å; H443-L487 HydrophobicContact CB-CD1 3.6Å; H443-V488 PolarHBondContact N-O 2.87Å; H443-C490 VanDerWaalsContact O-CB 3.31Å; H443-C490 WeakPolarHBondContact O-CB 3.45Å; H443-C490 PolarHBondContact O-N 3.25Å; H443-D574 IonicContact CE1-OD2 3.43Å; H443-D574 IonicContact CG-OD2 2.93Å; H443-D574 IonicContact ND1-OD2 3.69Å; H443-D574 PolarHBondContact ND1-OD2 2.77Å; H443-H874 AromaticContact CE1-CE1 3.77Å; H443-H874 AromaticContact NE2-CE1 3.82Å; H443-W878 AromaticContact CD2-CE2 3.93Å; H443-W878 AromaticContact CD2-CZ2 3.41Å; H443-W878 VanDerWaalsContact CD2-CZ2 3.41Å; H443-W878 WeakPolarHBondContact CD2-CZ2 3.29Å; H443-W878 AromaticContact NE2-CE2 3.88Å; H443-W878 AromaticContact NE2-CZ2 3.66Å; H443-W878 AromaticContact NE2-NE1 3.81Å
444G85.8Confident83.7Confident5 Ų528.6 Ų28.65%0.05216%0.161CC..  trans-95.7-29.4176.900000114K457 D574G444-K457 WeakPolarHBondContact O-CE 3.35Å; G444-K457 PolarHBondContact O-NZ 2.97Å; G444-D574 VanDerWaalsContact N-CG 3.33Å; G444-D574 PolarHBondContact N-OD1 3.33Å; G444-D574 PolarHBondContact N-OD2 3.09Å; G444-D574 VanDerWaalsContact N-OD2 3.08Å
445G84.6Confident83.8Confident2 Ų230.8 Ų30.82%0.02117%0.166CC..  trans104.6171.3-161.800000111.3H443 D449 D574 V576 H874H443-G445 PolarHBondContact ND1-N 3.43Å; G445-D449 VanDerWaalsContact CA-OD2 3.26Å; G445-D449 WeakPolarHBondContact CA-OD2 3.41Å; G445-D574 WeakPolarHBondContact CA-OD2 3.27Å; G445-D574 PolarHBondContact N-OD2 2.92Å; G445-V576 WeakPolarHBondContact O-CG2 3.48Å; G445-V576 PolarHBondContact O-N 3.14Å; G445-H874 VanDerWaalsContact C-NE2 3.33Å
446C82.5Confident83.3Confident2 Ų232.9 Ų32.91%0.01418%0.181CC..  trans-72.1162.8162.185.10000109.5L448 D449 H874C446-L448 PolarHBondContact O-N 3.29Å; C446-L448 PolarHBondContact SG-N 2.72Å; C446-D449 PolarHBondContact N-OD2 3.12Å; C446-D449 PolarHBondContact O-N 3.28Å; C446-D449 VanDerWaalsContact O-N 3.13Å; C446-D449 PolarHBondContact SG-OD1 2.11Å; C446-D449 PolarHBondContact SG-OD2 2.88Å; C446-H874 HydrophobicContact CB-CB 3.72Å; C446-H874 PolarHBondContact N-CD2 2.93Å; C446-H874 PolarHBondContact N-NE2 2.84Å
447I80.8Confident83Confident2 Ų230.8 Ų30.81%0.0117%0.169CC..THydrogen-bonded Turntrans-68.4-3.1-176.9-153.4113.1000114.3I494 I528 P529 V576 I579 P684 C740I447-I494 HydrophobicContact CG1-CD1 4.35Å; I447-I528 HydrophobicContact CD1-CG2 4.37Å; I447-I528 HydrophobicContact CG1-CB 3.85Å; I447-I528 HydrophobicContact CG1-CG2 3.58Å; I447-I528 HydrophobicContact CG2-CD1 4.47Å; I447-P529 HydrophobicContact CD1-CB 3.71Å; I447-P529 HydrophobicContact CD1-CG 4.1Å; I447-V576 HydrophobicContact CD1-CG2 4.28Å; I447-I579 HydrophobicContact CD1-CD1 3.97Å; I447-P684 HydrophobicContact CD1-CG 4.23Å; I447-C740 VanDerWaalsContact CG2-SG 3.56Å
448L77Confident82.7Confident39 Ų3937.8 Ų37.820%0.20420%0.196CC..THydrogen-bonded Turntrans-100.5-7.6176.8-65.8177.3000113.7C446 S450 L525 I528 P870C446-L448 PolarHBondContact O-N 3.29Å; C446-L448 PolarHBondContact SG-N 2.72Å; L448-S450 PolarHBondContact O-N 3.09Å; L448-L525 HydrophobicContact CD1-CD2 4.29Å; L448-L525 HydrophobicContact CD2-CD2 3.74Å; L448-L525 HydrophobicContact CG-CD2 4.38Å; L448-I528 HydrophobicContact CD2-CD1 3.93Å; L448-P870 HydrophobicContact CD1-CB 4.22Å; L448-P870 HydrophobicContact CD1-CG 4.3Å
449D74.2Confident82.3Confident61 Ų6141 Ų4133%0.32622%0.218SC..  trans-77.7105-176.4-62.3-30000110.8G445 C446 T451G445-D449 VanDerWaalsContact CA-OD2 3.26Å; G445-D449 WeakPolarHBondContact CA-OD2 3.41Å; C446-D449 PolarHBondContact N-OD2 3.12Å; C446-D449 PolarHBondContact O-N 3.28Å; C446-D449 VanDerWaalsContact O-N 3.13Å; C446-D449 PolarHBondContact SG-OD1 2.11Å; C446-D449 PolarHBondContact SG-OD2 2.88Å; D449-T451 VanDerWaalsContact C-N 3.3Å
450S64.4Low82Confident29 Ų2942 Ų4220%0.20322%0.224CC..  trans-76.5-16.7176.869.10000113.4L448 E515L448-S450 PolarHBondContact O-N 3.09Å; S450-E515 WeakPolarHBondContact CB-OE1 3.27Å; S450-E515 PolarHBondContact OG-OE1 3.08Å
451T59.6Low81.7Confident98 Ų9842.7 Ų42.760%0.60123%0.227SC*.SBendtrans-106.9132.5-170.550.40000113.2D449 D453D449-T451 VanDerWaalsContact C-N 3.3Å; T451-D453 PolarHBondContact O-N 3.48Å
452Y64.5Low81.6Confident116 Ų11648.4 Ų48.446%0.45526%0.257SS..  trans-82.466.3171.5-171.8-99.4000110.9L454 P489 T492Y452-L454 HydrophobicContact CD1-CG 4.32Å; Y452-L454 HydrophobicContact CE1-CD1 3.99Å; Y452-L454 HydrophobicContact CE1-CD2 3.93Å; Y452-L454 HydrophobicContact CE1-CG 3.74Å; Y452-L454 PolarHBondContact O-N 3.06Å; Y452-P489 WeakPolarHBondContact OH-CB 3.49Å; Y452-T492 HydrophobicContact CD2-CG2 4.31Å
453D72.9Confident81.5Confident61 Ų6150.9 Ų50.933%0.32627%0.272SS..  trans-87.3101179.8-167.4-11.6000112.4T451 T455 T456 K457T451-D453 PolarHBondContact O-N 3.48Å; D453-T455 VanDerWaalsContact CG-OG1 3.23Å; D453-T455 PolarHBondContact O-N 3.36Å; D453-T455 WeakPolarHBondContact OD1-CA 3.47Å; D453-T455 VanDerWaalsContact OD1-CB 3.28Å; D453-T455 WeakPolarHBondContact OD1-CB 3.15Å; D453-T455 WeakPolarHBondContact OD1-CG2 3.46Å; D453-T455 PolarHBondContact OD1-N 3.22Å; D453-T455 PolarHBondContact OD1-OG1 3.35Å; D453-T455 PolarHBondContact OD2-OG1 3.4Å; D453-T455 VanDerWaalsContact OD2-OG1 3.12Å; D453-T456 PolarHBondContact OD2-OG1 2.97Å; D453-K457 WeakPolarHBondContact O-CG 3.35Å; D453-K457 PolarHBondContact O-N 3.03Å
454L80.2Confident81.7Confident58 Ų5850.7 Ų50.730%0.30427%0.272SS..Hα-helixtrans-64.8-15.5174.6-74.3173.3000114Y452 R458 P489Y452-L454 HydrophobicContact CD1-CG 4.32Å; Y452-L454 HydrophobicContact CE1-CD1 3.99Å; Y452-L454 HydrophobicContact CE1-CD2 3.93Å; Y452-L454 HydrophobicContact CE1-CG 3.74Å; Y452-L454 PolarHBondContact O-N 3.06Å; L454-R458 WeakPolarHBondContact O-CB 3.18Å; L454-R458 VanDerWaalsContact O-CD 3.28Å; L454-R458 WeakPolarHBondContact O-CD 3.37Å; L454-R458 WeakPolarHBondContact O-CG 3.43Å; L454-R458 PolarHBondContact O-N 3.25Å; L454-R458 VanDerWaalsContact O-N 3.17Å; L454-P489 HydrophobicContact CD2-CB 4.16Å; L454-P489 HydrophobicContact CD2-CG 4.21Å
455T81.5Confident82.1Confident91 Ų9154 Ų5456%0.55828%0.282SS*.Hα-helixtrans-76.1-48.7177.474.70000111D453 K457 R458 S459D453-T455 VanDerWaalsContact CG-OG1 3.23Å; D453-T455 PolarHBondContact O-N 3.36Å; D453-T455 WeakPolarHBondContact OD1-CA 3.47Å; D453-T455 VanDerWaalsContact OD1-CB 3.28Å; D453-T455 WeakPolarHBondContact OD1-CB 3.15Å; D453-T455 WeakPolarHBondContact OD1-CG2 3.46Å; D453-T455 PolarHBondContact OD1-N 3.22Å; D453-T455 PolarHBondContact OD1-OG1 3.35Å; D453-T455 PolarHBondContact OD2-OG1 3.4Å; D453-T455 VanDerWaalsContact OD2-OG1 3.12Å; T455-K457 PolarHBondContact O-N 2.93Å; T455-R458 WeakPolarHBondContact O-CB 3.16Å; T455-R458 PolarHBondContact O-N 3.19Å; T455-R458 VanDerWaalsContact O-N 3.09Å; T455-S459 PolarHBondContact O-N 3.04Å
456T80.6Confident82.7Confident71 Ų7160.9 Ų60.944%0.43631%0.312SS..Hα-helixtrans-55.6-50.2171.3-47.90000111D453 R458 S459 D460D453-T456 PolarHBondContact OD2-OG1 2.97Å; T456-R458 PolarHBondContact O-N 3.24Å; T456-R458 VanDerWaalsContact O-N 3.15Å; T456-S459 WeakPolarHBondContact O-CA 3.49Å; T456-S459 WeakPolarHBondContact O-CB 3.36Å; T456-S459 PolarHBondContact O-N 2.94Å; T456-D460 PolarHBondContact O-N 3.06Å
457K85.3Confident83.3Confident7 Ų761.5 Ų61.53%0.0332%0.315CS..Hα-helixtrans-59.4-29.7177.8-59.1-162.5172-172.60113.3H443 G444 D453 T455 I461 L487H443-K457 HydrophobicContact CB-CD 4.37Å; H443-K457 WeakPolarHBondContact ND1-CD 2.9Å; H443-K457 WeakPolarHBondContact ND1-CE 3.04Å; H443-K457 WeakPolarHBondContact ND1-CG 3.25Å; H443-K457 PolarHBondContact O-NZ 3.4Å; G444-K457 WeakPolarHBondContact O-CE 3.35Å; G444-K457 PolarHBondContact O-NZ 2.97Å; D453-K457 WeakPolarHBondContact O-CG 3.35Å; D453-K457 PolarHBondContact O-N 3.03Å; T455-K457 PolarHBondContact O-N 2.93Å; K457-I461 WeakPolarHBondContact O-CG1 3.37Å; K457-L487 HydrophobicContact CB-CD2 4.41Å
458R87.5Confident84Confident148 Ų14861.5 Ų61.556%0.55832%0.316SS*.Hα-helixtrans-77-38.8172.8-76.5166.8178.9171.3-0.4112.2L454 T455 T456 I461 L462 L487L454-R458 WeakPolarHBondContact O-CB 3.18Å; L454-R458 VanDerWaalsContact O-CD 3.28Å; L454-R458 WeakPolarHBondContact O-CD 3.37Å; L454-R458 WeakPolarHBondContact O-CG 3.43Å; L454-R458 PolarHBondContact O-N 3.25Å; L454-R458 VanDerWaalsContact O-N 3.17Å; T455-R458 WeakPolarHBondContact O-CB 3.16Å; T455-R458 PolarHBondContact O-N 3.19Å; T455-R458 VanDerWaalsContact O-N 3.09Å; T456-R458 PolarHBondContact O-N 3.24Å; T456-R458 VanDerWaalsContact O-N 3.15Å; R458-I461 PolarHBondContact O-N 3.35Å; R458-L462 WeakPolarHBondContact O-CB 3.46Å; R458-L462 VanDerWaalsContact O-CG 3.25Å; R458-L462 WeakPolarHBondContact O-CG 3.5Å; R458-L462 PolarHBondContact O-N 3.22Å; R458-L487 HydrophobicContact CG-CD2 4.2Å
459S88.4Confident84.8Confident67 Ų6762.9 Ų62.947%0.46932%0.321SS..Hα-helixtrans-61-47.9177.4-166.60000112T455 T456 I461 L462 T463T455-S459 PolarHBondContact O-N 3.04Å; T456-S459 WeakPolarHBondContact O-CA 3.49Å; T456-S459 WeakPolarHBondContact O-CB 3.36Å; T456-S459 PolarHBondContact O-N 2.94Å; S459-I461 VanDerWaalsContact C-N 3.34Å; S459-I461 PolarHBondContact O-N 3.24Å; S459-L462 PolarHBondContact O-N 3.49Å; S459-T463 WeakPolarHBondContact O-CB 3.5Å; S459-T463 PolarHBondContact O-N 3.5Å; S459-T463 PolarHBondContact O-OG1 2.75Å
460D90.3Very high85.7Confident23 Ų2362.5 Ų62.512%0.12332%0.321CS..Hα-helixtrans-58.6-45177.3-70.6-5.4000111.6H443 T456 T463 F464 H874 W878H443-D460 IonicContact CD2-OD2 3.15Å; H443-D460 IonicContact CE1-OD2 3.74Å; H443-D460 IonicContact NE2-OD2 3.35Å; H443-D460 PolarHBondContact NE2-OD2 2.67Å; T456-D460 PolarHBondContact O-N 3.06Å; D460-T463 WeakPolarHBondContact O-CB 3.48Å; D460-T463 PolarHBondContact O-N 3.03Å; D460-F464 WeakPolarHBondContact O-CB 3.22Å; D460-F464 PolarHBondContact O-N 2.83Å; D460-H874 IonicContact OD2-CE1 3.3Å; D460-W878 HydrophobicContact CB-CD2 4.24Å; D460-W878 HydrophobicContact CB-CG 3.9Å; D460-W878 VanDerWaalsContact CG-CD1 3.43Å; D460-W878 PolarHBondContact OD2-NE1 2.87Å
461I91.4Very high87.1Confident14 Ų1461.1 Ų61.17%0.07231%0.311CS..Hα-helixtrans-67.1-40.9179.4-66.6-80.9000111.9V441 K457 R458 S459 T463 R465 L487V441-I461 HydrophobicContact CB-CD1 3.39Å; V441-I461 HydrophobicContact CG1-CD1 3.42Å; V441-I461 VanDerWaalsContact CG1-CD1 3.42Å; V441-I461 HydrophobicContact CG2-CD1 3.96Å; K457-I461 WeakPolarHBondContact O-CG1 3.37Å; R458-I461 PolarHBondContact O-N 3.35Å; S459-I461 VanDerWaalsContact C-N 3.34Å; S459-I461 PolarHBondContact O-N 3.24Å; I461-T463 VanDerWaalsContact C-N 3.3Å; I461-R465 WeakPolarHBondContact O-CB 3.45Å; I461-R465 PolarHBondContact O-N 3.36Å; I461-L487 HydrophobicContact CB-CB 4.46Å; I461-L487 HydrophobicContact CD1-CB 3.93Å; I461-L487 HydrophobicContact CD1-CD1 3.9Å; I461-L487 HydrophobicContact CD1-CG 4.44Å; I461-L487 HydrophobicContact CG1-CB 3.84Å; I461-L487 HydrophobicContact CG1-CD1 3.83Å; I461-L487 HydrophobicContact CG1-CD2 4.35Å; I461-L487 HydrophobicContact CG1-CG 4.18Å; I461-L487 HydrophobicContact CG2-CB 4.15Å
462L93.2Very high88.6Confident119 Ų11956.6 Ų56.662%0.62328%0.284SS*.Hα-helixtrans-64.7-38.7175.6-73.2168.8000110.7R458 S459 K466R458-L462 WeakPolarHBondContact O-CB 3.46Å; R458-L462 VanDerWaalsContact O-CG 3.25Å; R458-L462 WeakPolarHBondContact O-CG 3.5Å; R458-L462 PolarHBondContact O-N 3.22Å; S459-L462 PolarHBondContact O-N 3.49Å; L462-K466 WeakPolarHBondContact O-CB 3.42Å; L462-K466 PolarHBondContact O-N 2.89Å
463T94.3Very high89.8Confident52 Ų5253.6 Ų53.632%0.31928%0.282SS..Hα-helixtrans-63.7-54.3173.7-60.30000111.1S459 D460 I461 R465 K466 T467 E879S459-T463 WeakPolarHBondContact O-CB 3.5Å; S459-T463 PolarHBondContact O-N 3.5Å; S459-T463 PolarHBondContact O-OG1 2.75Å; D460-T463 WeakPolarHBondContact O-CB 3.48Å; D460-T463 PolarHBondContact O-N 3.03Å; I461-T463 VanDerWaalsContact C-N 3.3Å; T463-R465 PolarHBondContact O-N 3.22Å; T463-K466 CarbonylContact O-C 3.59Å; T463-K466 WeakPolarHBondContact O-CB 3.13Å; T463-K466 PolarHBondContact O-N 3.48Å; T463-K466 VanDerWaalsContact O-N 3.14Å; T463-T467 PolarHBondContact O-N 3.09Å; T463-T467 PolarHBondContact O-OG1 2.85Å; T463-E879 HydrophobicContact CG2-CB 3.96Å
464F96.1Very high90.4Very high0 Ų055.7 Ų55.70%029%0.294CS..Hα-helixtrans-59.5-43.5178.6-178.7-112.5000112.9I439 V441 D460 T467 I468 V485 V572 W878 I887I439-F464 HydrophobicContact CG2-CE1 4.4Å; V441-F464 HydrophobicContact CG2-CD1 4.09Å; V441-F464 HydrophobicContact CG2-CE1 4.04Å; D460-F464 WeakPolarHBondContact O-CB 3.22Å; D460-F464 PolarHBondContact O-N 2.83Å; F464-T467 WeakPolarHBondContact O-CB 3.25Å; F464-T467 PolarHBondContact O-N 2.9Å; F464-I468 HydrophobicContact CD1-CG1 4.47Å; F464-I468 HydrophobicContact CD2-CG1 4.42Å; F464-I468 HydrophobicContact CE1-CG1 4.1Å; F464-I468 HydrophobicContact CE2-CD1 4.2Å; F464-I468 HydrophobicContact CE2-CG1 4.05Å; F464-I468 HydrophobicContact CZ-CD1 3.98Å; F464-I468 HydrophobicContact CZ-CG1 3.88Å; F464-I468 WeakPolarHBondContact O-CG1 3.36Å; F464-I468 PolarHBondContact O-N 3.08Å; F464-V485 HydrophobicContact CD1-CG1 4.18Å; F464-V485 HydrophobicContact CE1-CG1 4.45Å; F464-V572 HydrophobicContact CZ-CG1 4.48Å; F464-V572 HydrophobicContact CZ-CG2 4.48Å; F464-W878 VanDerWaalsContact CA-O 3.22Å; F464-W878 WeakPolarHBondContact CA-O 3.45Å; F464-W878 HydrophobicContact CB-CB 4.16Å; F464-W878 HydrophobicContact CB-CE3 4Å; F464-W878 HydrophobicContact CD2-CE3 4.2Å; F464-W878 HydrophobicContact CG-CE3 4.02Å; F464-I887 HydrophobicContact CE2-CD1 4.2Å; F464-I887 HydrophobicContact CZ-CD1 3.98Å
465R95.6Very high90.6Very high73 Ų7356 Ų5628%0.27529%0.293SS..Hα-helixtrans-58.3-49.1173.6178.5176.6172.9153.57.3111.1I461 T463 T467 I468 E469 V485I461-R465 WeakPolarHBondContact O-CB 3.45Å; I461-R465 PolarHBondContact O-N 3.36Å; T463-R465 PolarHBondContact O-N 3.22Å; R465-T467 VanDerWaalsContact C-N 3.3Å; R465-T467 PolarHBondContact O-N 2.9Å; R465-I468 PolarHBondContact O-N 2.86Å; R465-E469 HydrophobicContact CG-CG 4.37Å; R465-E469 IonicContact CZ-OE1 3.58Å; R465-E469 VanDerWaalsContact CZ-OE1 3.25Å; R465-E469 IonicContact NE-OE1 3.17Å; R465-E469 PolarHBondContact NE-OE1 2.91Å; R465-E469 IonicContact NE-OE2 2.8Å; R465-E469 IonicContact NH2-OE1 3.61Å; R465-E469 PolarHBondContact NH2-OE1 3.28Å; R465-E469 WeakPolarHBondContact O-CB 3.46Å; R465-E469 WeakPolarHBondContact O-CG 3.46Å; R465-E469 PolarHBondContact O-N 3.49Å; R465-V485 HydrophobicContact CB-CB 4.31Å; R465-V485 HydrophobicContact CB-CG1 4.42Å; R465-V485 HydrophobicContact CG-CB 4.29Å; R465-V485 HydrophobicContact CG-CG2 4.45Å
466K95.4Very high90.8Very high148 Ų14851.7 Ų51.764%0.64327%0.267SS*.Hα-helixtrans-62-36.6177.5-175.3179.8-179.8-177.40111.9L462 T463 T470L462-K466 WeakPolarHBondContact O-CB 3.42Å; L462-K466 PolarHBondContact O-N 2.89Å; T463-K466 CarbonylContact O-C 3.59Å; T463-K466 WeakPolarHBondContact O-CB 3.13Å; T463-K466 PolarHBondContact O-N 3.48Å; T463-K466 VanDerWaalsContact O-N 3.14Å; K466-T470 WeakPolarHBondContact O-CB 3.22Å; K466-T470 PolarHBondContact O-N 3.2Å; K466-T470 PolarHBondContact O-OG1 2.9Å
467T96.1Very high90.9Very high14 Ų1451.5 Ų51.59%0.08627%0.267CS..Hα-helixtrans-64.7-48.5174.1-54.90000111.3T463 F464 R465 T470 V471 W878 K881 A884T463-T467 PolarHBondContact O-N 3.09Å; T463-T467 PolarHBondContact O-OG1 2.85Å; F464-T467 WeakPolarHBondContact O-CB 3.25Å; F464-T467 PolarHBondContact O-N 2.9Å; R465-T467 VanDerWaalsContact C-N 3.3Å; R465-T467 PolarHBondContact O-N 2.9Å; T467-T470 PolarHBondContact O-N 3.09Å; T467-V471 WeakPolarHBondContact O-CB 3.01Å; T467-V471 WeakPolarHBondContact O-CG2 3.31Å; T467-V471 PolarHBondContact O-N 3.45Å; T467-W878 PolarHBondContact OG1-O 3.08Å; T467-K881 HydrophobicContact CG2-CG 3.89Å; T467-A884 HydrophobicContact CG2-CB 3.66Å
468I95.7Very high90.8Very high3 Ų352.5 Ų52.52%0.01527%0.274CS..Hα-helixtrans-62.3-45.8176.6-68.7-76000111.5F464 R465 T470 V471 T472 I483 A884 I888F464-I468 HydrophobicContact CD1-CG1 4.47Å; F464-I468 HydrophobicContact CD2-CG1 4.42Å; F464-I468 HydrophobicContact CE1-CG1 4.1Å; F464-I468 HydrophobicContact CE2-CD1 4.2Å; F464-I468 HydrophobicContact CE2-CG1 4.05Å; F464-I468 HydrophobicContact CZ-CD1 3.98Å; F464-I468 HydrophobicContact CZ-CG1 3.88Å; F464-I468 WeakPolarHBondContact O-CG1 3.36Å; F464-I468 PolarHBondContact O-N 3.08Å; R465-I468 PolarHBondContact O-N 2.86Å; I468-T470 VanDerWaalsContact C-N 3.34Å; I468-T470 PolarHBondContact O-N 2.97Å; I468-V471 PolarHBondContact O-N 3.41Å; I468-T472 WeakPolarHBondContact O-CB 3.44Å; I468-T472 WeakPolarHBondContact O-CG2 3.15Å; I468-T472 PolarHBondContact O-N 3.43Å; I468-T472 PolarHBondContact O-OG1 2.85Å; I468-I483 HydrophobicContact CG2-CD1 3.98Å; I468-I483 HydrophobicContact CG2-CG2 4.34Å; I468-A884 HydrophobicContact CD1-CB 3.8Å; I468-A884 HydrophobicContact CG1-CB 4.38Å; I468-I888 HydrophobicContact CD1-CD1 3.99Å; I468-I888 HydrophobicContact CD1-CG1 4.01Å; I468-I888 HydrophobicContact CG2-CD1 4.45Å
469E93.8Very high90.8Very high67 Ų6745.5 Ų45.531%0.31325%0.247SC..Hα-helixtrans-62.5-40176.3-73.5172.6166.100111.3R465 T472 A473R465-E469 HydrophobicContact CG-CG 4.37Å; R465-E469 IonicContact CZ-OE1 3.58Å; R465-E469 VanDerWaalsContact CZ-OE1 3.25Å; R465-E469 IonicContact NE-OE1 3.17Å; R465-E469 PolarHBondContact NE-OE1 2.91Å; R465-E469 IonicContact NE-OE2 2.8Å; R465-E469 IonicContact NH2-OE1 3.61Å; R465-E469 PolarHBondContact NH2-OE1 3.28Å; R465-E469 WeakPolarHBondContact O-CB 3.46Å; R465-E469 WeakPolarHBondContact O-CG 3.46Å; R465-E469 PolarHBondContact O-N 3.49Å; E469-T472 PolarHBondContact O-OG1 3.39Å; E469-T472 VanDerWaalsContact O-OG1 3.13Å; E469-A473 WeakPolarHBondContact O-CB 3.29Å; E469-A473 PolarHBondContact O-N 2.96Å
470T93Very high90.7Very high54 Ų5446 Ų4633%0.33124%0.242SC..Hα-helixtrans-66.9-46.2175.6-60.10000112.1K466 T467 I468 A473 N474K466-T470 WeakPolarHBondContact O-CB 3.22Å; K466-T470 PolarHBondContact O-N 3.2Å; K466-T470 PolarHBondContact O-OG1 2.9Å; T467-T470 PolarHBondContact O-N 3.09Å; I468-T470 VanDerWaalsContact C-N 3.34Å; I468-T470 PolarHBondContact O-N 2.97Å; T470-A473 PolarHBondContact O-N 2.83Å; T470-N474 PolarHBondContact O-N 2.78Å; T470-N474 PolarHBondContact O-ND2 2.98Å
471V92.8Very high90.5Very high0 Ų049.4 Ų49.40%026%0.26CS..Hα-helixtrans-68.2-41.5-178.7171.20000110.9T467 I468 N474 H475 Y476 Y763 K881 A884 I888T467-V471 WeakPolarHBondContact O-CB 3.01Å; T467-V471 WeakPolarHBondContact O-CG2 3.31Å; T467-V471 PolarHBondContact O-N 3.45Å; I468-V471 PolarHBondContact O-N 3.41Å; V471-N474 PolarHBondContact O-N 3.26Å; V471-H475 PolarHBondContact O-N 2.81Å; V471-H475 VanDerWaalsContact O-N 3.14Å; V471-Y476 HydrophobicContact CG1-CD2 3.99Å; V471-Y476 HydrophobicContact CG1-CE2 3.77Å; V471-Y763 HydrophobicContact CB-CE2 4.41Å; V471-Y763 HydrophobicContact CG1-CD2 4.34Å; V471-Y763 HydrophobicContact CG1-CE2 3.77Å; V471-Y763 HydrophobicContact CG2-CD2 4.5Å; V471-Y763 HydrophobicContact CG2-CE2 4.01Å; V471-K881 HydrophobicContact CG2-CB 4.12Å; V471-K881 HydrophobicContact CG2-CG 4.13Å; V471-A884 HydrophobicContact CG2-CB 4.27Å; V471-I888 HydrophobicContact CB-CD1 3.83Å; V471-I888 HydrophobicContact CG1-CD1 3.52Å
472T92.3Very high90.5Very high3 Ų353.3 Ų53.32%0.01827%0.274CS..Hα-helixtrans-65-42.8174.751.20000112.8I468 E469 N474 Y476 L479 I483 I888I468-T472 WeakPolarHBondContact O-CB 3.44Å; I468-T472 WeakPolarHBondContact O-CG2 3.15Å; I468-T472 PolarHBondContact O-N 3.43Å; I468-T472 PolarHBondContact O-OG1 2.85Å; E469-T472 PolarHBondContact O-OG1 3.39Å; E469-T472 VanDerWaalsContact O-OG1 3.13Å; T472-N474 VanDerWaalsContact C-N 3.32Å; T472-N474 PolarHBondContact O-N 3.17Å; T472-Y476 CarbonylContact O-C 3.23Å; T472-Y476 WeakPolarHBondContact O-CA 3.5Å; T472-Y476 PolarHBondContact O-N 3.29Å; T472-L479 HydrophobicContact CG2-CB 4.07Å; T472-I483 HydrophobicContact CG2-CD1 3.85Å; T472-I888 HydrophobicContact CG2-CD1 3.64Å; T472-I888 HydrophobicContact CG2-CG1 4.08Å; T472-I888 HydrophobicContact CG2-CG2 4.31Å
473A88.9Confident90.5Very high52 Ų5248.2 Ų48.243%0.4325%0.247SC..Hα-helixtrans-61.5-36.2178.200000113.6E469 T470E469-A473 WeakPolarHBondContact O-CB 3.29Å; E469-A473 PolarHBondContact O-N 2.96Å; T470-A473 PolarHBondContact O-N 2.83Å
474N86.3Confident90.5Very high106 Ų10645.7 Ų45.757%0.56723%0.232SC*.Hα-helixtrans-83.1-34.8-177.7-74.2-67.5000113.9T470 V471 T472T470-N474 PolarHBondContact O-N 2.78Å; T470-N474 PolarHBondContact O-ND2 2.98Å; V471-N474 PolarHBondContact O-N 3.26Å; T472-N474 VanDerWaalsContact C-N 3.32Å; T472-N474 PolarHBondContact O-N 3.17Å
475H84.6Confident90.5Very high63 Ų6346.1 Ų46.129%0.29224%0.235SC..Hα-helixtrans-135.3-12.3-166-68.4111.6000115.9V471 Y763 L768V471-H475 PolarHBondContact O-N 2.81Å; V471-H475 VanDerWaalsContact O-N 3.14Å; H475-Y763 AromaticContact CE1-CZ 3.77Å; H475-Y763 PolarHBondContact CE1-OH 3.09Å; H475-Y763 VanDerWaalsContact CE1-OH 3.28Å; H475-Y763 AromaticContact ND1-CE2 3.51Å; H475-Y763 AromaticContact ND1-CZ 3.47Å; H475-Y763 PolarHBondContact ND1-OH 2.8Å; H475-L768 HydrophobicContact CB-CD2 3.9Å
476Y85.1Confident90.5Very high2 Ų245.7 Ų45.71%0.00824%0.235CC..  trans-133.465.3-176.4-53.7-81.1000111.4V471 T472 T478 L479 H480 P767 L768 I888 R889 L892 V899V471-Y476 HydrophobicContact CG1-CD2 3.99Å; V471-Y476 HydrophobicContact CG1-CE2 3.77Å; T472-Y476 CarbonylContact O-C 3.23Å; T472-Y476 WeakPolarHBondContact O-CA 3.5Å; T472-Y476 PolarHBondContact O-N 3.29Å; Y476-T478 PolarHBondContact O-N 3.48Å; Y476-T478 VanDerWaalsContact O-N 3.12Å; Y476-L479 PolarHBondContact O-N 3.33Å; Y476-H480 PolarHBondContact O-N 3.31Å; Y476-P767 PolarHBondContact OH-O 2.87Å; Y476-L768 HydrophobicContact CD1-CD2 4.32Å; Y476-L768 HydrophobicContact CE1-CD2 3.78Å; Y476-L768 WeakPolarHBondContact OH-CA 3.46Å; Y476-I888 HydrophobicContact CD1-CG2 4.02Å; Y476-I888 HydrophobicContact CD2-CB 4.45Å; Y476-I888 HydrophobicContact CD2-CG2 3.53Å; Y476-I888 HydrophobicContact CE1-CG2 4.28Å; Y476-I888 HydrophobicContact CE2-CB 4.46Å; Y476-I888 HydrophobicContact CE2-CG2 3.88Å; Y476-I888 HydrophobicContact CG-CG2 3.58Å; Y476-R889 HydrophobicContact CE1-CG 4.15Å; Y476-R889 WeakPolarHBondContact OH-CG 3.36Å; Y476-L892 HydrophobicContact CD1-CD1 3.46Å; Y476-L892 VanDerWaalsContact CD1-CD1 3.46Å; Y476-L892 HydrophobicContact CE1-CD1 3.78Å; Y476-L892 HydrophobicContact CG-CD1 4.39Å; Y476-V899 HydrophobicContact CD1-CG2 4.45Å; Y476-V899 HydrophobicContact CE1-CG2 4.09Å
477P82.8Confident90.4Very high67 Ų6740 Ų4044%0.43521%0.211SC..THydrogen-bonded Turntrans-62.5-23-173.125-34.6000113.6L479 H480 T902P477-L479 PolarHBondContact O-N 3.16Å; P477-H480 PolarHBondContact O-N 2.91Å; P477-T902 HydrophobicContact CG-CG2 3.82Å
478T82.7Confident90.3Very high28 Ų2839.3 Ų39.317%0.17221%0.207CC..THydrogen-bonded Turntrans-62.1-25.3171.847.70000113.8Y476 R482 L900Y476-T478 PolarHBondContact O-N 3.48Å; Y476-T478 VanDerWaalsContact O-N 3.12Å; T478-R482 WeakPolarHBondContact O-CD 3.48Å; T478-L900 HydrophobicContact CG2-CB 4.03Å; T478-L900 HydrophobicContact CG2-CD1 3.72Å; T478-L900 HydrophobicContact CG2-CG 4.36Å
479L88Confident89.9Confident0 Ų040.1 Ų40.10%021%0.212CC..THydrogen-bonded Turntrans-111.4-6.2179.7-65.7-177.3000113.9L436 T472 Y476 P477 N481 R482 I483 I888 I891 L892 L895 L897L436-L479 HydrophobicContact CD1-CD2 4.29Å; T472-L479 HydrophobicContact CG2-CB 4.07Å; Y476-L479 PolarHBondContact O-N 3.33Å; P477-L479 PolarHBondContact O-N 3.16Å; L479-N481 PolarHBondContact O-N 3.25Å; L479-R482 PolarHBondContact O-N 2.85Å; L479-I483 HydrophobicContact CB-CD1 4.3Å; L479-I483 HydrophobicContact CB-CG1 4.28Å; L479-I483 HydrophobicContact CD1-CD1 4.34Å; L479-I888 HydrophobicContact CD1-CG2 4.07Å; L479-I891 HydrophobicContact CD1-CG2 3.88Å; L479-L892 HydrophobicContact CD1-CD1 4.5Å; L479-L892 HydrophobicContact CD1-CD2 3.52Å; L479-L892 HydrophobicContact CD1-CG 3.62Å; L479-L892 HydrophobicContact CD2-CD2 4.4Å; L479-L892 HydrophobicContact CG-CD2 3.76Å; L479-L892 HydrophobicContact CG-CG 4.4Å; L479-L895 HydrophobicContact CD2-CD1 3.59Å; L479-L897 HydrophobicContact CD2-CD1 4.21Å
480H86.6Confident89.5Confident78 Ų7836.9 Ų36.936%0.36120%0.197SC..THydrogen-bonded Turntrans-55.3126.8176.2-177.758.9000110.5Y476 P477 R482Y476-H480 PolarHBondContact O-N 3.31Å; P477-H480 PolarHBondContact O-N 2.91Å; H480-R482 PolarHBondContact O-N 3.38Å
481N87Confident89.1Confident95 Ų9534.7 Ų34.751%0.50818%0.184SC..THydrogen-bonded Turntrans59-4.5-171.1-56.1-35.6000117.1K435 L479K435-N481 WeakPolarHBondContact CD-O 3.25Å; K435-N481 PolarHBondContact NZ-O 3.48Å; L479-N481 PolarHBondContact O-N 3.25Å
482R91.2Very high88.4Confident96 Ų9636.6 Ų36.636%0.36220%0.195SC..THydrogen-bonded Turntrans-90.3-8.4-180-62.4-167.2179.9-178.6-3.6114.8C433 K435 L436 V437 T478 L479 H480C433-R482 PolarHBondContact SG-NE 3.27Å; K435-R482 CarbonylContact C-O 3.45Å; K435-R482 VanDerWaalsContact CA-O 3.29Å; K435-R482 WeakPolarHBondContact CA-O 3.11Å; L436-R482 HydrophobicContact CB-CB 4.42Å; L436-R482 HydrophobicContact CD1-CB 4.33Å; L436-R482 HydrophobicContact CG-CB 4.22Å; L436-R482 PolarHBondContact N-O 3.22Å; V437-R482 PolarHBondContact N-O 3.21Å; T478-R482 WeakPolarHBondContact O-CD 3.48Å; L479-R482 PolarHBondContact O-N 2.85Å; H480-R482 PolarHBondContact O-N 3.38Å
483I93.4Very high87.8Confident11 Ų1138.6 Ų38.66%0.05621%0.205CC..EExtended strand (participates in β ladder)trans-88.2139.9167.7-54.1-179.1000109.2K435 V437 I439 I468 T472 L479 V485 I888K435-I483 PolarHBondContact NZ-O 3.45Å; V437-I483 HydrophobicContact CB-CG1 4.37Å; V437-I483 HydrophobicContact CB-CG2 4.46Å; I439-I483 HydrophobicContact CD1-CG2 3.73Å; I439-I483 HydrophobicContact CG1-CG2 3.93Å; I468-I483 HydrophobicContact CG2-CD1 3.98Å; I468-I483 HydrophobicContact CG2-CG2 4.34Å; T472-I483 HydrophobicContact CG2-CD1 3.85Å; L479-I483 HydrophobicContact CB-CD1 4.3Å; L479-I483 HydrophobicContact CB-CG1 4.28Å; L479-I483 HydrophobicContact CD1-CD1 4.34Å; I483-V485 HydrophobicContact CG2-CG2 4.17Å; I483-I888 HydrophobicContact CD1-CG1 4.35Å
484A94.4Very high87.4Confident0 Ų036.2 Ų36.20%019%0.185CC..EExtended strand (participates in β ladder)trans-111.2138.7163.900000109.3K435 V437 L438 I439 F556K435-A484 HydrophobicContact CD-CB 4.04Å; K435-A484 HydrophobicContact CG-CB 4.08Å; V437-A484 PolarHBondContact O-N 3.3Å; L438-A484 HydrophobicContact CD1-CB 4.05Å; I439-A484 PolarHBondContact N-O 3.01Å; A484-F556 HydrophobicContact CB-CD2 4.41Å; A484-F556 HydrophobicContact CB-CE2 3.59Å; A484-F556 HydrophobicContact CB-CZ 3.97Å
485V95.2Very high87.1Confident9 Ų931.8 Ų31.86%0.05516%0.164CC..EExtended strand (participates in β ladder)trans-122.5128.9176.9-173.70000108.5I439 V441 F464 R465 I483I439-V485 HydrophobicContact CB-CG2 4.41Å; I439-V485 HydrophobicContact CD1-CG2 4.42Å; I439-V485 WeakPolarHBondContact O-CA 3.34Å; V441-V485 HydrophobicContact CG2-CG1 3.83Å; F464-V485 HydrophobicContact CD1-CG1 4.18Å; F464-V485 HydrophobicContact CE1-CG1 4.45Å; R465-V485 HydrophobicContact CB-CB 4.31Å; R465-V485 HydrophobicContact CB-CG1 4.42Å; R465-V485 HydrophobicContact CG-CB 4.29Å; R465-V485 HydrophobicContact CG-CG2 4.45Å; I483-V485 HydrophobicContact CG2-CG2 4.17Å
486K94.4Very high86.9Confident64 Ų6433.2 Ų33.228%0.27817%0.174SC..EExtended strand (participates in β ladder)trans-132.1133.6179.1-62.5-70.9-175.1171.40110.1L438 I439 L440 V441L438-K486 HydrophobicContact CD1-CG 3.93Å; I439-K486 PolarHBondContact O-N 3.31Å; L440-K486 HydrophobicContact CD2-CB 3.95Å; V441-K486 PolarHBondContact N-O 2.85Å
487L94.4Very high86.7Confident28 Ų2833.5 Ų33.515%0.14718%0.176CC..EExtended strand (participates in β ladder)trans-67.1136.9164.9172.455.6000109.4H443 K457 R458 I461 P489 H552H443-L487 HydrophobicContact CB-CD1 3.6Å; K457-L487 HydrophobicContact CB-CD2 4.41Å; R458-L487 HydrophobicContact CG-CD2 4.2Å; I461-L487 HydrophobicContact CB-CB 4.46Å; I461-L487 HydrophobicContact CD1-CB 3.93Å; I461-L487 HydrophobicContact CD1-CD1 3.9Å; I461-L487 HydrophobicContact CD1-CG 4.44Å; I461-L487 HydrophobicContact CG1-CB 3.84Å; I461-L487 HydrophobicContact CG1-CD1 3.83Å; I461-L487 HydrophobicContact CG1-CD2 4.35Å; I461-L487 HydrophobicContact CG1-CG 4.18Å; I461-L487 HydrophobicContact CG2-CB 4.15Å; L487-P489 HydrophobicContact CD1-CG 4.46Å; L487-P489 HydrophobicContact CD2-CG 4.24Å; L487-P489 HydrophobicContact CG-CG 4.04Å; L487-H552 PolarHBondContact O-CD2 2.92Å
488V94Very high86.4Confident0 Ų031 Ų310%016%0.158CC..EExtended strand (participates in β ladder)trans-121.5104.7161.3-176.60000106.3L440 V441 I442 H443 C490 L545 N548 L549 H552L440-V488 HydrophobicContact CB-CG2 3.98Å; L440-V488 HydrophobicContact CD2-CG2 4.07Å; L440-V488 HydrophobicContact CG-CG2 4.45Å; V441-V488 PolarHBondContact O-N 3.21Å; I442-V488 WeakPolarHBondContact CA-O 3.21Å; H443-V488 PolarHBondContact N-O 2.87Å; V488-C490 PolarHBondContact O-N 2.73Å; V488-L545 HydrophobicContact CG1-CD1 4.4Å; V488-N548 HydrophobicContact CG1-CB 3.83Å; V488-L549 HydrophobicContact CB-CD2 4.46Å; V488-L549 HydrophobicContact CG1-CD2 4.08Å; V488-L549 HydrophobicContact CG1-CG 4.16Å; V488-L549 HydrophobicContact CG2-CD2 4.2Å; V488-H552 HydrophobicContact CG2-CB 3.96Å
489P87.8Confident86.2Confident19 Ų1935.9 Ų35.912%0.12317%0.173CC..EExtended strand (participates in β ladder)trans-62.5121.2-179.9-21.533.6000110.1Y452 L454 L487 N548Y452-P489 WeakPolarHBondContact OH-CB 3.49Å; L454-P489 HydrophobicContact CD2-CB 4.16Å; L454-P489 HydrophobicContact CD2-CG 4.21Å; L487-P489 HydrophobicContact CD1-CG 4.46Å; L487-P489 HydrophobicContact CD2-CG 4.24Å; L487-P489 HydrophobicContact CG-CG 4.04Å; P489-N548 PolarHBondContact O-ND2 3.12Å
490C85.3Confident85.6Confident0 Ų038.8 Ų38.80%019%0.188CC..PPolyproline II helixtrans-83.1131.7176.6-156.80000109.5I442 H443 V488 L580I442-C490 HydrophobicContact CG2-CB 3.74Å; I442-C490 VanDerWaalsContact CG2-SG 3.59Å; H443-C490 VanDerWaalsContact O-CB 3.31Å; H443-C490 WeakPolarHBondContact O-CB 3.45Å; H443-C490 PolarHBondContact O-N 3.25Å; V488-C490 PolarHBondContact O-N 2.73Å; C490-L580 VanDerWaalsContact SG-CD1 3.59Å
491P83.8Confident85Confident8 Ų835.4 Ų35.45%0.05217%0.173CC..PPolyproline II helixtrans-67.4150.8171.830.8-35.4000110.6M541 Q544 L545 L580P491-M541 HydrophobicContact CB-CB 4.42Å; P491-M541 HydrophobicContact CB-CG 4.16Å; P491-M541 HydrophobicContact CG-CB 3.99Å; P491-M541 HydrophobicContact CG-CG 4.28Å; P491-M541 WeakPolarHBondContact CG-O 3.47Å; P491-Q544 HydrophobicContact CB-CG 4.35Å; P491-Q544 HydrophobicContact CG-CB 4.21Å; P491-Q544 HydrophobicContact CG-CG 4.26Å; P491-L545 HydrophobicContact CG-CB 4.41Å; P491-L580 HydrophobicContact CG-CD1 4.49Å; P491-L580 WeakPolarHBondContact O-CD1 3.39Å
492T78.9Confident84.2Confident39 Ų3931.6 Ų31.624%0.23915%0.153CC..  trans-151.5137.8179.5176.90000111.5Y452 I494 M541Y452-T492 HydrophobicContact CD2-CG2 4.31Å; T492-I494 WeakPolarHBondContact OG1-CB 3.3Å; T492-I494 WeakPolarHBondContact OG1-CG1 3.42Å; T492-I494 PolarHBondContact OG1-N 3.35Å; T492-M541 VanDerWaalsContact CA-SD 3.59Å
493E79Confident83.2Confident46 Ų4635 Ų3522%0.21517%0.171CC..  trans-10713.2173.8-71.4176.317100111.9G495 D496 I497 S535 G537 M541E493-G495 PolarHBondContact O-N 3.36Å; E493-D496 WeakPolarHBondContact O-CA 2.89Å; E493-D496 PolarHBondContact O-N 2.95Å; E493-I497 PolarHBondContact O-N 3.38Å; E493-I497 VanDerWaalsContact O-N 3.08Å; E493-S535 PolarHBondContact OE2-OG 3.35Å; E493-G537 WeakPolarHBondContact OE1-CA 3.3Å; E493-G537 WeakPolarHBondContact OE2-CA 3.35Å; E493-M541 HydrophobicContact CB-CE 3.88Å; E493-M541 HydrophobicContact CB-SD 3.98Å; E493-M541 HydrophobicContact CG-CE 3.85Å; E493-M541 HydrophobicContact CG-CG 4.33Å; E493-M541 HydrophobicContact CG-SD 3.7Å; E493-M541 PolarHBondContact N-SD 3.25Å; E493-M541 VanDerWaalsContact N-SD 3.38Å; E493-M541 WeakPolarHBondContact OE2-CE 3.47Å
494I81.5Confident82Confident1 Ų139.1 Ų39.11%0.00519%0.193CC..Hα-helixtrans-57.5-34.9-178.1-72.4171.9000112.3I447 T492 D496 I497 F498 I528 L532 V576I447-I494 HydrophobicContact CG1-CD1 4.35Å; T492-I494 WeakPolarHBondContact OG1-CB 3.3Å; T492-I494 WeakPolarHBondContact OG1-CG1 3.42Å; T492-I494 PolarHBondContact OG1-N 3.35Å; I494-D496 VanDerWaalsContact C-N 3.29Å; I494-D496 PolarHBondContact O-N 3.46Å; I494-I497 WeakPolarHBondContact O-CB 3.19Å; I494-I497 PolarHBondContact O-N 2.93Å; I494-F498 HydrophobicContact CG2-CD2 3.81Å; I494-F498 HydrophobicContact CG2-CE2 3.28Å; I494-F498 HydrophobicContact CG2-CZ 3.68Å; I494-F498 WeakPolarHBondContact O-CD2 3.28Å; I494-F498 PolarHBondContact O-N 3.27Å; I494-I528 HydrophobicContact CG1-CG2 4.47Å; I494-I528 HydrophobicContact CG2-CG2 4.4Å; I494-L532 HydrophobicContact CD1-CD2 4.3Å; I494-L532 HydrophobicContact CG1-CD1 4.08Å; I494-L532 HydrophobicContact CG1-CD2 4.31Å; I494-V576 HydrophobicContact CD1-CB 4.35Å; I494-V576 HydrophobicContact CD1-CG1 3.95Å; I494-V576 HydrophobicContact CD1-CG2 3.41Å; I494-V576 VanDerWaalsContact CD1-CG2 3.41Å
495G78.6Confident80.2Confident14 Ų1442.4 Ų42.414%0.14421%0.207CC..Hα-helixtrans-60.5-34.2172.600000113.8E493 R499E493-G495 PolarHBondContact O-N 3.36Å; G495-R499 VanDerWaalsContact O-CG 3.25Å; G495-R499 WeakPolarHBondContact O-CG 3.1Å; G495-R499 PolarHBondContact O-N 3.33Å; G495-R499 VanDerWaalsContact O-N 3.13Å
496D80Confident78.2Confident92 Ų9246.8 Ų46.849%0.49224%0.244SC..Hα-helixtrans-79.5-29.7175.2-73.5-58.8000112.6E493 I494 R499 L500E493-D496 WeakPolarHBondContact O-CA 2.89Å; E493-D496 PolarHBondContact O-N 2.95Å; I494-D496 VanDerWaalsContact C-N 3.29Å; I494-D496 PolarHBondContact O-N 3.46Å; D496-R499 VanDerWaalsContact CG-NH1 3.27Å; D496-R499 CarbonylContact O-C 3.54Å; D496-R499 PolarHBondContact O-N 2.87Å; D496-R499 WeakPolarHBondContact OD1-CD 3.13Å; D496-R499 IonicContact OD1-CZ 2.73Å; D496-R499 IonicContact OD1-NE 2.74Å; D496-R499 IonicContact OD1-NH1 3.4Å; D496-R499 PolarHBondContact OD1-NH1 2.85Å; D496-R499 IonicContact OD2-NH1 3.61Å; D496-R499 PolarHBondContact OD2-NH1 3.12Å; D496-L500 PolarHBondContact O-N 3.42Å
497I81.3Confident76.1Confident9 Ų949.2 Ų49.25%0.04627%0.269CS..Hα-helixtrans-64.8-42.5170.2-64.7168.7000110.5E493 I494 R499 L500 F501 F531 L532E493-I497 PolarHBondContact O-N 3.38Å; E493-I497 VanDerWaalsContact O-N 3.08Å; I494-I497 WeakPolarHBondContact O-CB 3.19Å; I494-I497 PolarHBondContact O-N 2.93Å; I497-R499 VanDerWaalsContact C-N 3.35Å; I497-R499 PolarHBondContact O-N 2.84Å; I497-L500 WeakPolarHBondContact O-CB 3.38Å; I497-L500 PolarHBondContact O-N 3.34Å; I497-L500 VanDerWaalsContact O-N 3.17Å; I497-F501 HydrophobicContact CG2-CD2 3.74Å; I497-F501 HydrophobicContact CG2-CE2 3.3Å; I497-F501 HydrophobicContact CG2-CZ 3.98Å; I497-F501 VanDerWaalsContact O-CD2 3.25Å; I497-F501 WeakPolarHBondContact O-CD2 3.46Å; I497-F501 WeakPolarHBondContact O-CG 3.34Å; I497-F501 PolarHBondContact O-N 2.96Å; I497-F531 HydrophobicContact CG2-CB 3.98Å; I497-L532 HydrophobicContact CD1-CB 3.8Å; I497-L532 HydrophobicContact CD1-CD1 3.64Å; I497-L532 HydrophobicContact CD1-CG 4.35Å
498F78Confident74.1Confident14 Ų1450.4 Ų50.46%0.06128%0.279CS..Hα-helixtrans-64.7-35.9172.3-66.7-41.7000112.8I494 L500 F501 S502 L518 M523 I528I494-F498 HydrophobicContact CG2-CD2 3.81Å; I494-F498 HydrophobicContact CG2-CE2 3.28Å; I494-F498 HydrophobicContact CG2-CZ 3.68Å; I494-F498 WeakPolarHBondContact O-CD2 3.28Å; I494-F498 PolarHBondContact O-N 3.27Å; F498-L500 VanDerWaalsContact C-N 3.32Å; F498-F501 HydrophobicContact CD1-CD2 4.41Å; F498-F501 PolarHBondContact O-N 2.91Å; F498-S502 PolarHBondContact O-N 3.12Å; F498-S502 PolarHBondContact O-OG 3.06Å; F498-L518 HydrophobicContact CB-CD1 3.84Å; F498-L518 HydrophobicContact CD1-CD1 3.75Å; F498-L518 HydrophobicContact CG-CD1 4.06Å; F498-M523 HydrophobicContact CD1-CE 4.27Å; F498-M523 HydrophobicContact CE1-CE 3.94Å; F498-I528 HydrophobicContact CE1-CD1 3.79Å; F498-I528 HydrophobicContact CE1-CG1 4.21Å; F498-I528 HydrophobicContact CZ-CD1 4.13Å
499R76.7Confident72.4Confident131 Ų13152.6 Ų52.649%0.49429%0.29SS..Hα-helixtrans-67.7-28.8171.6-68.9165.2-166.8142.85.7113G495 D496 I497 S502 K503G495-R499 VanDerWaalsContact O-CG 3.25Å; G495-R499 WeakPolarHBondContact O-CG 3.1Å; G495-R499 PolarHBondContact O-N 3.33Å; G495-R499 VanDerWaalsContact O-N 3.13Å; D496-R499 VanDerWaalsContact CG-NH1 3.27Å; D496-R499 CarbonylContact O-C 3.54Å; D496-R499 PolarHBondContact O-N 2.87Å; D496-R499 WeakPolarHBondContact OD1-CD 3.13Å; D496-R499 IonicContact OD1-CZ 2.73Å; D496-R499 IonicContact OD1-NE 2.74Å; D496-R499 IonicContact OD1-NH1 3.4Å; D496-R499 PolarHBondContact OD1-NH1 2.85Å; D496-R499 IonicContact OD2-NH1 3.61Å; D496-R499 PolarHBondContact OD2-NH1 3.12Å; I497-R499 VanDerWaalsContact C-N 3.35Å; I497-R499 PolarHBondContact O-N 2.84Å; R499-S502 PolarHBondContact O-OG 3.42Å; R499-K503 VanDerWaalsContact O-CG 3.27Å; R499-K503 WeakPolarHBondContact O-CG 3.5Å; R499-K503 PolarHBondContact O-N 3.2Å
500L76.8Confident71.1Confident60 Ų6057.8 Ų57.831%0.31432%0.324SS..Hα-helixtrans-72.8-47.2172.5-177.261.6000110.4D496 I497 F498 S502 K503 L504D496-L500 PolarHBondContact O-N 3.42Å; I497-L500 WeakPolarHBondContact O-CB 3.38Å; I497-L500 PolarHBondContact O-N 3.34Å; I497-L500 VanDerWaalsContact O-N 3.17Å; F498-L500 VanDerWaalsContact C-N 3.32Å; L500-S502 VanDerWaalsContact C-N 3.29Å; L500-S502 PolarHBondContact O-N 3.04Å; L500-K503 WeakPolarHBondContact O-CB 3.34Å; L500-K503 PolarHBondContact O-N 3.33Å; L500-K503 VanDerWaalsContact O-N 3.09Å; L500-L504 HydrophobicContact CD1-CD1 4.43Å; L500-L504 HydrophobicContact CD1-CG 4.44Å; L500-L504 HydrophobicContact CG-CD1 4.04Å; L500-L504 HydrophobicContact CG-CG 4.48Å; L500-L504 WeakPolarHBondContact O-CG 3.48Å; L500-L504 PolarHBondContact O-N 3.4Å
501F74.3Confident70Confident7 Ų763.2 Ų63.23%0.03136%0.357CS..Hα-helixtrans-62.9-30.4176.8-68.4-46.1000113.8I497 F498 L504 L518 M523 I528 F531I497-F501 HydrophobicContact CG2-CD2 3.74Å; I497-F501 HydrophobicContact CG2-CE2 3.3Å; I497-F501 HydrophobicContact CG2-CZ 3.98Å; I497-F501 VanDerWaalsContact O-CD2 3.25Å; I497-F501 WeakPolarHBondContact O-CD2 3.46Å; I497-F501 WeakPolarHBondContact O-CG 3.34Å; I497-F501 PolarHBondContact O-N 2.96Å; F498-F501 HydrophobicContact CD1-CD2 4.41Å; F498-F501 PolarHBondContact O-N 2.91Å; F501-L504 HydrophobicContact CD1-CD1 4.33Å; F501-L518 HydrophobicContact CB-CD2 3.94Å; F501-M523 HydrophobicContact CB-SD 4.02Å; F501-M523 HydrophobicContact CD1-SD 4.18Å; F501-M523 HydrophobicContact CD2-CE 4.03Å; F501-M523 HydrophobicContact CD2-SD 3.25Å; F501-M523 WeakPolarHBondContact CD2-SD 3.34Å; F501-M523 HydrophobicContact CE1-SD 4.45Å; F501-M523 HydrophobicContact CE2-CE 4.14Å; F501-M523 HydrophobicContact CE2-SD 3.56Å; F501-M523 VanDerWaalsContact CE2-SD 3.56Å; F501-M523 HydrophobicContact CG-SD 3.59Å; F501-M523 VanDerWaalsContact CG-SD 3.59Å; F501-M523 HydrophobicContact CZ-SD 4.16Å; F501-I528 HydrophobicContact CE2-CG1 4.36Å; F501-F531 HydrophobicContact CE1-CD1 4.03Å; F501-F531 AromaticContact CE1-CD2 3.9Å; F501-F531 HydrophobicContact CE1-CD2 3.9Å; F501-F531 AromaticContact CE1-CE1 3.92Å; F501-F531 HydrophobicContact CE1-CE1 3.92Å; F501-F531 AromaticContact CE1-CE2 3.79Å; F501-F531 HydrophobicContact CE1-CE2 3.79Å; F501-F531 HydrophobicContact CE1-CG 4.02Å; F501-F531 AromaticContact CE1-CZ 3.8Å; F501-F531 HydrophobicContact CE1-CZ 3.8Å; F501-F531 HydrophobicContact CZ-CB 4.12Å; F501-F531 HydrophobicContact CZ-CD1 4.07Å; F501-F531 AromaticContact CZ-CD2 3.56Å; F501-F531 HydrophobicContact CZ-CD2 3.56Å; F501-F531 HydrophobicContact CZ-CE1 4.39Å; F501-F531 AromaticContact CZ-CE2 3.92Å; F501-F531 HydrophobicContact CZ-CE2 3.92Å; F501-F531 AromaticContact CZ-CG 3.64Å; F501-F531 HydrophobicContact CZ-CG 3.64Å; F501-F531 HydrophobicContact CZ-CZ 4.32Å
502S68.4Low68.7Low15 Ų1568.8 Ų68.811%0.10538%0.377CS..Hα-helixtrans-75.7-27.6172.868.20000113.6F498 R499 L500F498-S502 PolarHBondContact O-N 3.12Å; F498-S502 PolarHBondContact O-OG 3.06Å; R499-S502 PolarHBondContact O-OG 3.42Å; L500-S502 VanDerWaalsContact C-N 3.29Å; L500-S502 PolarHBondContact O-N 3.04Å
503K71.2Confident67.8Low169 Ų16970.7 Ų70.774%0.73539%0.39SS*.Hα-helixtrans-75.7-32.6170.6-72.5173-172.6-178.40113.5R499 L500 K505R499-K503 VanDerWaalsContact O-CG 3.27Å; R499-K503 WeakPolarHBondContact O-CG 3.5Å; R499-K503 PolarHBondContact O-N 3.2Å; L500-K503 WeakPolarHBondContact O-CB 3.34Å; L500-K503 PolarHBondContact O-N 3.33Å; L500-K503 VanDerWaalsContact O-N 3.09Å; K503-K505 PolarHBondContact O-N 3.29Å
504L67.5Low66.6Low97 Ų9771.6 Ų71.651%0.50840%0.396SS..SBendtrans-73.3-10.7177.1-72170.8000113L500 F501L500-L504 HydrophobicContact CD1-CD1 4.43Å; L500-L504 HydrophobicContact CD1-CG 4.44Å; L500-L504 HydrophobicContact CG-CD1 4.04Å; L500-L504 HydrophobicContact CG-CG 4.48Å; L500-L504 WeakPolarHBondContact O-CG 3.48Å; L500-L504 PolarHBondContact O-N 3.4Å; F501-L504 HydrophobicContact CD1-CD1 4.33Å
505K57.1Low65.4Low68 Ų6875.3 Ų75.330%0.29641%0.413SS..SBendtrans-93.7147.7171.4-74.9178.3173.1178.30110.7K503 S507 D521K503-K505 PolarHBondContact O-N 3.29Å; K505-S507 PolarHBondContact O-N 3.22Å; K505-D521 VanDerWaalsContact NZ-CB 3.29Å; K505-D521 PolarHBondContact NZ-O 2.76Å
506A53.9Low64.3Low101 Ų10177.8 Ų77.884%0.83543%0.425SS*.SBendtrans-61.3133.617100000109.9
507S49.9Very low63Low115 Ų11574.9 Ų74.980%0.80441%0.409SS*.SBendtrans4.499.2-177.1-165.20000116K505K505-S507 PolarHBondContact O-N 3.22Å
508P52.9Low61.6Low54 Ų5475 Ų7535%0.35141%0.409SS..  trans-59.3148.6176.325.6-34.4000111.7P510P508-P510 WeakPolarHBondContact O-CD 3.43Å
509D58.1Low60.4Low45 Ų4578.2 Ų78.224%0.24143%0.427CS..  trans-66.7113.1177.3175.7-5.1000109.3T511 R512 Q517D509-T511 VanDerWaalsContact CG-OG1 3.32Å; D509-T511 PolarHBondContact O-N 3.38Å; D509-T511 VanDerWaalsContact O-N 3.09Å; D509-T511 WeakPolarHBondContact OD1-CB 3.47Å; D509-T511 PolarHBondContact OD1-N 3.13Å; D509-T511 PolarHBondContact OD1-OG1 3.45Å; D509-T511 PolarHBondContact OD2-OG1 2.62Å; D509-R512 PolarHBondContact O-N 2.72Å; D509-R512 VanDerWaalsContact OD2-CD 3.24Å; D509-R512 WeakPolarHBondContact OD2-CD 3.45Å; D509-R512 IonicContact OD2-CZ 2.64Å; D509-R512 VanDerWaalsContact OD2-CZ 3.26Å; D509-R512 IonicContact OD2-NE 3.34Å; D509-R512 PolarHBondContact OD2-NE 2.79Å; D509-R512 IonicContact OD2-NH1 2.7Å; D509-R512 PolarHBondContact OD2-NH1 3.31Å; D509-R512 VanDerWaalsContact OD2-NH1 3.11Å; D509-Q517 PolarHBondContact O-NE2 2.86Å
510P59.9Low59.1Low128 Ų12879.7 Ų79.783%0.83143%0.433SS*.THydrogen-bonded Turntrans-69.5-7.7-17629.7-35.7000113.3P508P508-P510 WeakPolarHBondContact O-CD 3.43Å
511T63Low57.9Low115 Ų11581.3 Ų81.371%0.70644%0.442SS*.THydrogen-bonded Turntrans-88.9-2.3179.972.70000114D509D509-T511 VanDerWaalsContact CG-OG1 3.32Å; D509-T511 PolarHBondContact O-N 3.38Å; D509-T511 VanDerWaalsContact O-N 3.09Å; D509-T511 WeakPolarHBondContact OD1-CB 3.47Å; D509-T511 PolarHBondContact OD1-N 3.13Å; D509-T511 PolarHBondContact OD1-OG1 3.45Å; D509-T511 PolarHBondContact OD2-OG1 2.62Å
512R56.2Low57Low125 Ų12589.2 Ų89.247%0.47248%0.476SS..SBendtrans-132143-172.5-65.2-179.4-178.9145.81.7113.1D509 Q517D509-R512 PolarHBondContact O-N 2.72Å; D509-R512 VanDerWaalsContact OD2-CD 3.24Å; D509-R512 WeakPolarHBondContact OD2-CD 3.45Å; D509-R512 IonicContact OD2-CZ 2.64Å; D509-R512 VanDerWaalsContact OD2-CZ 3.26Å; D509-R512 IonicContact OD2-NE 3.34Å; D509-R512 PolarHBondContact OD2-NE 2.79Å; D509-R512 IonicContact OD2-NH1 2.7Å; D509-R512 PolarHBondContact OD2-NH1 3.31Å; D509-R512 VanDerWaalsContact OD2-NH1 3.11Å; R512-Q517 HydrophobicContact CB-CG 3.93Å; R512-Q517 PolarHBondContact O-NE2 3.37Å
513P58.5Low56.6Low79 Ų7989.3 Ų89.351%0.51348%0.475SS..  trans-55.8142172.1-21.932.4000111.8E515 T516 Q517P513-E515 VanDerWaalsContact C-N 3.26Å; P513-E515 PolarHBondContact O-N 3.03Å; P513-T516 PolarHBondContact O-N 3.33Å; P513-T516 VanDerWaalsContact O-N 3.09Å; P513-Q517 PolarHBondContact O-N 2.78Å; P513-Q517 VanDerWaalsContact O-N 3.17Å
514I55.3Low56.4Low64 Ų6482.4 Ų82.433%0.32845%0.448SS..Hα-helixtrans-60.7-40.5-177.3-74.3170.8000110.3T516 Q517 L518I514-T516 VanDerWaalsContact C-N 3.32Å; I514-T516 PolarHBondContact O-N 3.25Å; I514-Q517 PolarHBondContact O-N 2.91Å; I514-Q517 VanDerWaalsContact O-N 3.16Å; I514-L518 HydrophobicContact CG2-CD1 3.76Å; I514-L518 HydrophobicContact CG2-CG 4.23Å; I514-L518 WeakPolarHBondContact O-CG 3.4Å; I514-L518 PolarHBondContact O-N 3.1Å
515E55.1Low56.6Low80 Ų8079.3 Ų79.337%0.37443%0.432SS..Hα-helixtrans-53.1-48.1173.9-66.776.1-172.700111.2S450 P513 Q517 L518 L519S450-E515 WeakPolarHBondContact CB-OE1 3.27Å; S450-E515 PolarHBondContact OG-OE1 3.08Å; P513-E515 VanDerWaalsContact C-N 3.26Å; P513-E515 PolarHBondContact O-N 3.03Å; E515-Q517 VanDerWaalsContact C-N 3.33Å; E515-Q517 PolarHBondContact O-N 2.83Å; E515-L518 PolarHBondContact O-N 2.96Å; E515-L519 VanDerWaalsContact O-CB 3.25Å; E515-L519 WeakPolarHBondContact O-CB 3.25Å; E515-L519 WeakPolarHBondContact O-CG 3.37Å; E515-L519 PolarHBondContact O-N 3.5Å
516T56Low57.4Low65 Ų6577 Ų7740%0.39943%0.426SS..Hα-helixtrans-68.2-30.7-179.3-42.60000112.6P513 I514 R520P513-T516 PolarHBondContact O-N 3.33Å; P513-T516 VanDerWaalsContact O-N 3.09Å; I514-T516 VanDerWaalsContact C-N 3.32Å; I514-T516 PolarHBondContact O-N 3.25Å; T516-R520 PolarHBondContact O-N 2.86Å
517Q53.7Low58.6Low31 Ų3172.1 Ų72.115%0.14539%0.387CS..Hα-helixtrans-73.7-43.6174.9-63.5-17761.500111.4D509 R512 P513 I514 E515 L519 R520 D521D509-Q517 PolarHBondContact O-NE2 2.86Å; R512-Q517 HydrophobicContact CB-CG 3.93Å; R512-Q517 PolarHBondContact O-NE2 3.37Å; P513-Q517 PolarHBondContact O-N 2.78Å; P513-Q517 VanDerWaalsContact O-N 3.17Å; I514-Q517 PolarHBondContact O-N 2.91Å; I514-Q517 VanDerWaalsContact O-N 3.16Å; E515-Q517 VanDerWaalsContact C-N 3.33Å; E515-Q517 PolarHBondContact O-N 2.83Å; Q517-L519 VanDerWaalsContact C-N 3.29Å; Q517-L519 PolarHBondContact O-N 3.44Å; Q517-R520 PolarHBondContact O-N 2.83Å; Q517-D521 PolarHBondContact O-N 2.77Å; Q517-D521 VanDerWaalsContact O-N 3.12Å
518L52Low60.2Low11 Ų1166.7 Ų66.76%0.05835%0.348CS..Hα-helixtrans-63.5-34.4173.5-65.7172.8000112F498 F501 I514 E515 R520 M523F498-L518 HydrophobicContact CB-CD1 3.84Å; F498-L518 HydrophobicContact CD1-CD1 3.75Å; F498-L518 HydrophobicContact CG-CD1 4.06Å; F501-L518 HydrophobicContact CB-CD2 3.94Å; I514-L518 HydrophobicContact CG2-CD1 3.76Å; I514-L518 HydrophobicContact CG2-CG 4.23Å; I514-L518 WeakPolarHBondContact O-CG 3.4Å; I514-L518 PolarHBondContact O-N 3.1Å; E515-L518 PolarHBondContact O-N 2.96Å; L518-R520 VanDerWaalsContact C-N 3.31Å; L518-R520 PolarHBondContact O-N 2.82Å; L518-M523 HydrophobicContact CD2-SD 4.34Å
519L51.4Low61.8Low83 Ų8364.2 Ų64.244%0.43533%0.332SS..THydrogen-bonded Turntrans-75.6-7.7174.9-82.6163.3000115.1E515 Q517 R867E515-L519 VanDerWaalsContact O-CB 3.25Å; E515-L519 WeakPolarHBondContact O-CB 3.25Å; E515-L519 WeakPolarHBondContact O-CG 3.37Å; E515-L519 PolarHBondContact O-N 3.5Å; Q517-L519 VanDerWaalsContact C-N 3.29Å; Q517-L519 PolarHBondContact O-N 3.44Å; L519-R867 HydrophobicContact CD2-CG 3.94Å; L519-R867 PolarHBondContact O-NH1 3.2Å
520R50Low63.1Low162 Ų16262.9 Ų62.961%0.61133%0.325SS*.THydrogen-bonded Turntrans-93-61.9165.2-74.8-173.7174.1-151.1-3.6110.6T516 Q517 L518 F522 R867T516-R520 PolarHBondContact O-N 2.86Å; Q517-R520 PolarHBondContact O-N 2.83Å; L518-R520 VanDerWaalsContact C-N 3.31Å; L518-R520 PolarHBondContact O-N 2.82Å; R520-F522 PolarHBondContact O-N 2.88Å; R520-F522 VanDerWaalsContact O-N 3.08Å; R520-R867 PolarHBondContact O-NH1 3.49Å
521D51.3Low64.4Low93 Ų9359 Ų5950%0.49730%0.296SS..THydrogen-bonded Turntrans-86.689.2-161.6-66.2-12.5000113.3K505 Q517 M523K505-D521 VanDerWaalsContact NZ-CB 3.29Å; K505-D521 PolarHBondContact NZ-O 2.76Å; Q517-D521 PolarHBondContact O-N 2.77Å; Q517-D521 VanDerWaalsContact O-N 3.12Å; D521-M523 VanDerWaalsContact C-N 3.29Å; D521-M523 PolarHBondContact O-N 3.43Å
522F55.3Low65.5Low174 Ų17453.6 Ų53.676%0.76326%0.262SS*.THydrogen-bonded Turntrans31.948.8155.7-70.6-84000117.4R520R520-F522 PolarHBondContact O-N 2.88Å; R520-F522 VanDerWaalsContact O-N 3.08Å
523M61.1Low66.9Low17 Ų1748 Ų488%0.08424%0.241CC..  trans-93.6122.2163.1-163.8175.277.900109.1F498 F501 L518 D521 I528F498-M523 HydrophobicContact CD1-CE 4.27Å; F498-M523 HydrophobicContact CE1-CE 3.94Å; F501-M523 HydrophobicContact CB-SD 4.02Å; F501-M523 HydrophobicContact CD1-SD 4.18Å; F501-M523 HydrophobicContact CD2-CE 4.03Å; F501-M523 HydrophobicContact CD2-SD 3.25Å; F501-M523 WeakPolarHBondContact CD2-SD 3.34Å; F501-M523 HydrophobicContact CE1-SD 4.45Å; F501-M523 HydrophobicContact CE2-CE 4.14Å; F501-M523 HydrophobicContact CE2-SD 3.56Å; F501-M523 VanDerWaalsContact CE2-SD 3.56Å; F501-M523 HydrophobicContact CG-SD 3.59Å; F501-M523 VanDerWaalsContact CG-SD 3.59Å; F501-M523 HydrophobicContact CZ-SD 4.16Å; L518-M523 HydrophobicContact CD2-SD 4.34Å; D521-M523 VanDerWaalsContact C-N 3.29Å; D521-M523 PolarHBondContact O-N 3.43Å; M523-I528 HydrophobicContact CE-CD1 3.74Å; M523-I528 HydrophobicContact CE-CG1 3.64Å
524P66.8Low68.1Low24 Ų2446.3 Ų46.316%0.15623%0.228CC..  trans-73.3132.2179.2-17.433.1000109.9F358 E362 G526 S527F358-P524 HydrophobicContact CD1-CG 4.32Å; F358-P524 HydrophobicContact CE1-CB 3.98Å; F358-P524 HydrophobicContact CE1-CG 3.9Å; E362-P524 WeakPolarHBondContact OE1-CG 3.48Å; P524-G526 PolarHBondContact O-N 2.85Å; P524-S527 WeakPolarHBondContact O-CB 3.36Å; P524-S527 PolarHBondContact O-N 3.48Å; P524-S527 PolarHBondContact O-OG 2.65Å
525L71.8Confident69.5Low32 Ų3244 Ų4417%0.16822%0.218CC..THydrogen-bonded Turntrans-57.1-36.2-175.5-66.6174.7000112.7L448 S527 I528 P529 P739 P870L448-L525 HydrophobicContact CD1-CD2 4.29Å; L448-L525 HydrophobicContact CD2-CD2 3.74Å; L448-L525 HydrophobicContact CG-CD2 4.38Å; L525-S527 PolarHBondContact O-N 3.17Å; L525-I528 PolarHBondContact O-N 3.33Å; L525-P529 WeakPolarHBondContact O-CD 3.19Å; L525-P739 HydrophobicContact CD1-CB 4.05Å; L525-P739 HydrophobicContact CD1-CG 3.66Å; L525-P870 HydrophobicContact CD1-CG 4.17Å
526G74.2Confident70.6Confident18 Ų1846.9 Ų46.919%0.18624%0.243CC..THydrogen-bonded Turntrans-66.2-11.6176.200000115.5P524 P529 L530 L687P524-G526 PolarHBondContact O-N 2.85Å; G526-P529 WeakPolarHBondContact O-CD 3.2Å; G526-P529 WeakPolarHBondContact O-CG 3.48Å; G526-L530 WeakPolarHBondContact O-CD1 3.21Å; G526-L530 WeakPolarHBondContact O-CG 3.45Å; G526-L687 VanDerWaalsContact CA-CD2 3.4Å; G526-L687 WeakPolarHBondContact O-CD2 3.39Å
527S78.2Confident71.9Confident0 Ų044.3 Ų44.30%023%0.229CC..Hα-helixtrans-70.2-41.5175.264.20000112.2P524 L525 L530 F531P524-S527 WeakPolarHBondContact O-CB 3.36Å; P524-S527 PolarHBondContact O-N 3.48Å; P524-S527 PolarHBondContact O-OG 2.65Å; L525-S527 PolarHBondContact O-N 3.17Å; S527-L530 PolarHBondContact O-N 2.81Å; S527-F531 WeakPolarHBondContact O-CD2 3.47Å; S527-F531 PolarHBondContact O-N 3.22Å
528I83.7Confident73.5Confident0 Ų043.5 Ų43.50%023%0.225CC..Hα-helixtrans-55.4-51.3-175.3-51.2164.1000112.8I447 L448 I494 F498 F501 M523 L525 L530 F531 L532I447-I528 HydrophobicContact CD1-CG2 4.37Å; I447-I528 HydrophobicContact CG1-CB 3.85Å; I447-I528 HydrophobicContact CG1-CG2 3.58Å; I447-I528 HydrophobicContact CG2-CD1 4.47Å; L448-I528 HydrophobicContact CD2-CD1 3.93Å; I494-I528 HydrophobicContact CG1-CG2 4.47Å; I494-I528 HydrophobicContact CG2-CG2 4.4Å; F498-I528 HydrophobicContact CE1-CD1 3.79Å; F498-I528 HydrophobicContact CE1-CG1 4.21Å; F498-I528 HydrophobicContact CZ-CD1 4.13Å; F501-I528 HydrophobicContact CE2-CG1 4.36Å; M523-I528 HydrophobicContact CE-CD1 3.74Å; M523-I528 HydrophobicContact CE-CG1 3.64Å; L525-I528 PolarHBondContact O-N 3.33Å; I528-L530 VanDerWaalsContact C-N 3.27Å; I528-L530 PolarHBondContact O-N 2.98Å; I528-F531 PolarHBondContact O-N 3.48Å; I528-L532 WeakPolarHBondContact O-CB 3.34Å; I528-L532 PolarHBondContact O-N 3.01Å
529P86.7Confident75Confident2 Ų244.3 Ų44.31%0.01323%0.232CC..Hα-helixtrans-64.3-30.817723.8-33000113.1I447 L525 G526 L532 I533 I579 P684 L687 I688I447-P529 HydrophobicContact CD1-CB 3.71Å; I447-P529 HydrophobicContact CD1-CG 4.1Å; L525-P529 WeakPolarHBondContact O-CD 3.19Å; G526-P529 WeakPolarHBondContact O-CD 3.2Å; G526-P529 WeakPolarHBondContact O-CG 3.48Å; P529-L532 PolarHBondContact O-N 3.15Å; P529-I533 PolarHBondContact O-N 2.83Å; P529-I533 VanDerWaalsContact O-N 3.12Å; P529-I579 HydrophobicContact CB-CD1 4.04Å; P529-P684 HydrophobicContact CB-CB 4.11Å; P529-P684 HydrophobicContact CB-CG 3.91Å; P529-P684 HydrophobicContact CG-CB 3.97Å; P529-P684 HydrophobicContact CG-CG 4.25Å; P529-L687 HydrophobicContact CG-CD2 4.28Å; P529-I688 HydrophobicContact CB-CD1 4.16Å; P529-I688 HydrophobicContact CB-CG1 4.36Å
530L85.5Confident76.7Confident18 Ų1848.6 Ų48.69%0.09424%0.242CC..Hα-helixtrans-74.7-34.4178.8-63.9177.4000112F358 G526 S527 I528 I533 N534 L687 I688 Y691F358-L530 HydrophobicContact CE2-CD1 3.96Å; F358-L530 HydrophobicContact CZ-CD1 4.36Å; G526-L530 WeakPolarHBondContact O-CD1 3.21Å; G526-L530 WeakPolarHBondContact O-CG 3.45Å; S527-L530 PolarHBondContact O-N 2.81Å; I528-L530 VanDerWaalsContact C-N 3.27Å; I528-L530 PolarHBondContact O-N 2.98Å; L530-I533 HydrophobicContact CD2-CD1 4.09Å; L530-I533 WeakPolarHBondContact O-CG1 3.43Å; L530-N534 PolarHBondContact O-ND2 3.14Å; L530-L687 HydrophobicContact CD1-CD2 4.45Å; L530-L687 HydrophobicContact CD1-CG 4.44Å; L530-I688 HydrophobicContact CD2-CG1 4.38Å; L530-Y691 HydrophobicContact CD2-CD1 3.79Å; L530-Y691 HydrophobicContact CD2-CD2 4.37Å; L530-Y691 HydrophobicContact CD2-CG 3.66Å
531F86Confident78.5Confident47 Ų4741 Ų4121%0.20621%0.214CC..Hα-helixtrans-71-33.7168.2-84.4-102.2000111.7I497 F501 S527 I528 N534 S535I497-F531 HydrophobicContact CG2-CB 3.98Å; F501-F531 HydrophobicContact CE1-CD1 4.03Å; F501-F531 AromaticContact CE1-CD2 3.9Å; F501-F531 HydrophobicContact CE1-CD2 3.9Å; F501-F531 AromaticContact CE1-CE1 3.92Å; F501-F531 HydrophobicContact CE1-CE1 3.92Å; F501-F531 AromaticContact CE1-CE2 3.79Å; F501-F531 HydrophobicContact CE1-CE2 3.79Å; F501-F531 HydrophobicContact CE1-CG 4.02Å; F501-F531 AromaticContact CE1-CZ 3.8Å; F501-F531 HydrophobicContact CE1-CZ 3.8Å; F501-F531 HydrophobicContact CZ-CB 4.12Å; F501-F531 HydrophobicContact CZ-CD1 4.07Å; F501-F531 AromaticContact CZ-CD2 3.56Å; F501-F531 HydrophobicContact CZ-CD2 3.56Å; F501-F531 HydrophobicContact CZ-CE1 4.39Å; F501-F531 AromaticContact CZ-CE2 3.92Å; F501-F531 HydrophobicContact CZ-CE2 3.92Å; F501-F531 AromaticContact CZ-CG 3.64Å; F501-F531 HydrophobicContact CZ-CG 3.64Å; F501-F531 HydrophobicContact CZ-CZ 4.32Å; S527-F531 WeakPolarHBondContact O-CD2 3.47Å; S527-F531 PolarHBondContact O-N 3.22Å; I528-F531 PolarHBondContact O-N 3.48Å; F531-N534 CarbonylContact O-C 3.6Å; F531-N534 PolarHBondContact O-N 3.03Å; F531-S535 PolarHBondContact O-N 2.96Å
532L87.2Confident80.4Confident0 Ų037.5 Ų37.50%020%0.195CC..Hα-helixtrans-63.2-49.1178.2-173.967.2000112.9I494 I497 I528 P529 N534 S535 Y538 M541 V576 I579I494-L532 HydrophobicContact CD1-CD2 4.3Å; I494-L532 HydrophobicContact CG1-CD1 4.08Å; I494-L532 HydrophobicContact CG1-CD2 4.31Å; I497-L532 HydrophobicContact CD1-CB 3.8Å; I497-L532 HydrophobicContact CD1-CD1 3.64Å; I497-L532 HydrophobicContact CD1-CG 4.35Å; I528-L532 WeakPolarHBondContact O-CB 3.34Å; I528-L532 PolarHBondContact O-N 3.01Å; P529-L532 PolarHBondContact O-N 3.15Å; L532-N534 PolarHBondContact O-N 3.02Å; L532-N534 VanDerWaalsContact O-N 3.15Å; L532-S535 PolarHBondContact O-N 3.27Å; L532-S535 VanDerWaalsContact O-N 3.09Å; L532-Y538 HydrophobicContact CG-CD2 4.42Å; L532-Y538 WeakPolarHBondContact O-CD2 3.33Å; L532-M541 HydrophobicContact CD1-CE 3.7Å; L532-M541 HydrophobicContact CD1-SD 4.43Å; L532-V576 HydrophobicContact CD2-CG1 4.18Å; L532-I579 HydrophobicContact CD2-CD1 4.01Å
533I86.1Confident82Confident8 Ų833.4 Ų33.44%0.04118%0.178CC..THydrogen-bonded Turntrans-69-8.7177.867.3178.2000114P529 L530 Y538 I579 I688 Y691P529-I533 PolarHBondContact O-N 2.83Å; P529-I533 VanDerWaalsContact O-N 3.12Å; L530-I533 HydrophobicContact CD2-CD1 4.09Å; L530-I533 WeakPolarHBondContact O-CG1 3.43Å; I533-Y538 HydrophobicContact CB-CE2 4.44Å; I533-Y538 HydrophobicContact CG2-CE2 4.04Å; I533-I579 HydrophobicContact CG2-CG2 3.69Å; I533-I688 HydrophobicContact CD1-CB 4.44Å; I533-I688 HydrophobicContact CD1-CG1 4.21Å; I533-I688 HydrophobicContact CD1-CG2 3.8Å; I533-I688 HydrophobicContact CG2-CD1 3.85Å; I533-I688 HydrophobicContact CG2-CG1 4.36Å; I533-I688 HydrophobicContact CG2-CG2 4.38Å; I533-Y691 HydrophobicContact CD1-CD1 4.13Å; I533-Y691 HydrophobicContact CD1-CE1 4.38Å
534N83.7Confident83.4Confident44 Ų4436.6 Ų36.624%0.23519%0.193CC..THydrogen-bonded Turntrans-112.69.6174.2-66.1-77.3000112.1L530 F531 L532L530-N534 PolarHBondContact O-ND2 3.14Å; F531-N534 CarbonylContact O-C 3.6Å; F531-N534 PolarHBondContact O-N 3.03Å; L532-N534 PolarHBondContact O-N 3.02Å; L532-N534 VanDerWaalsContact O-N 3.15Å
535S83.3Confident84.6Confident15 Ų1535.4 Ų35.411%0.10519%0.185CC..  trans-67.7143.4174.693.90000109.9E493 F531 L532 G537 Y538E493-S535 PolarHBondContact OE2-OG 3.35Å; F531-S535 PolarHBondContact O-N 2.96Å; L532-S535 PolarHBondContact O-N 3.27Å; L532-S535 VanDerWaalsContact O-N 3.09Å; S535-G537 PolarHBondContact O-N 2.84Å; S535-G537 PolarHBondContact OG-N 2.96Å; S535-Y538 WeakPolarHBondContact O-CB 3.36Å; S535-Y538 PolarHBondContact O-N 3.41Å; S535-Y538 VanDerWaalsContact O-N 3.09Å; S535-Y538 PolarHBondContact OG-N 2.85Å
536P79.6Confident85.6Confident140 Ų14033.9 Ų33.991%0.90918%0.177SC*.THydrogen-bonded Turntrans-64.4-20.3177.826.2-34.5000112.8
537G82.2Confident86.5Confident11 Ų1139.4 Ų39.411%0.11320%0.196CC..THydrogen-bonded Turntrans-92-2.4175.400000115.2E493 S535 S539 R540 M541E493-G537 WeakPolarHBondContact OE1-CA 3.3Å; E493-G537 WeakPolarHBondContact OE2-CA 3.35Å; S535-G537 PolarHBondContact O-N 2.84Å; S535-G537 PolarHBondContact OG-N 2.96Å; G537-S539 VanDerWaalsContact C-N 3.28Å; G537-S539 PolarHBondContact O-N 3.06Å; G537-R540 WeakPolarHBondContact O-CA 3.18Å; G537-R540 VanDerWaalsContact O-CB 3.29Å; G537-R540 WeakPolarHBondContact O-CB 3.38Å; G537-R540 PolarHBondContact O-N 3.27Å; G537-M541 PolarHBondContact O-N 2.66Å
538Y86.5Confident87.3Confident15 Ų1540.6 Ų40.66%0.05920%0.203CC..Hα-helixtrans-55.6-39.7-178.2-171.1-103.3000113.3L532 I533 S535 R540 M541 L542 I579 L580 D583L532-Y538 HydrophobicContact CG-CD2 4.42Å; L532-Y538 WeakPolarHBondContact O-CD2 3.33Å; I533-Y538 HydrophobicContact CB-CE2 4.44Å; I533-Y538 HydrophobicContact CG2-CE2 4.04Å; S535-Y538 WeakPolarHBondContact O-CB 3.36Å; S535-Y538 PolarHBondContact O-N 3.41Å; S535-Y538 VanDerWaalsContact O-N 3.09Å; S535-Y538 PolarHBondContact OG-N 2.85Å; Y538-R540 VanDerWaalsContact C-N 3.3Å; Y538-R540 PolarHBondContact O-N 3.1Å; Y538-M541 HydrophobicContact CD2-CE 3.97Å; Y538-M541 PolarHBondContact O-N 2.88Å; Y538-L542 HydrophobicContact CD1-CD1 4.05Å; Y538-L542 HydrophobicContact CD1-CG 4.47Å; Y538-L542 HydrophobicContact CE1-CD1 3.8Å; Y538-L542 HydrophobicContact CE1-CG 4.22Å; Y538-L542 PolarHBondContact O-N 2.86Å; Y538-I579 HydrophobicContact CE2-CG2 4.16Å; Y538-I579 WeakPolarHBondContact OH-CG2 3.5Å; Y538-L580 HydrophobicContact CD2-CD2 3.9Å; Y538-L580 HydrophobicContact CE2-CD2 3.4Å; Y538-L580 VanDerWaalsContact CE2-CD2 3.4Å; Y538-L580 HydrophobicContact CE2-CG 4.15Å; Y538-D583 WeakPolarHBondContact CE1-OD2 3.41Å; Y538-D583 PolarHBondContact OH-OD2 2.75Å
539S83.8Confident87.8Confident27 Ų2740.7 Ų40.719%0.18920%0.203CC..Hα-helixtrans-62.9-34.3173.9-169.20000113G537 L542 E543G537-S539 VanDerWaalsContact C-N 3.28Å; G537-S539 PolarHBondContact O-N 3.06Å; S539-L542 PolarHBondContact O-N 2.8Å; S539-E543 WeakPolarHBondContact O-CG 3.26Å; S539-E543 PolarHBondContact O-N 3.48Å
540R86.9Confident88.2Confident174 Ų17441.7 Ų41.766%0.65721%0.208SC*.Hα-helixtrans-71.8-36.6176-176.3-176.1178.4179.70.3111.1G537 Y538 L542 E543 Q544G537-R540 WeakPolarHBondContact O-CA 3.18Å; G537-R540 VanDerWaalsContact O-CB 3.29Å; G537-R540 WeakPolarHBondContact O-CB 3.38Å; G537-R540 PolarHBondContact O-N 3.27Å; Y538-R540 VanDerWaalsContact C-N 3.3Å; Y538-R540 PolarHBondContact O-N 3.1Å; R540-L542 VanDerWaalsContact C-N 3.34Å; R540-E543 PolarHBondContact O-N 2.86Å; R540-Q544 VanDerWaalsContact O-CB 3.25Å; R540-Q544 WeakPolarHBondContact O-CB 3.48Å; R540-Q544 PolarHBondContact O-N 3.31Å
541M89Confident88.6Confident3 Ų342.7 Ų42.72%0.01522%0.215CC..Hα-helixtrans-63.6-38.6173.1-69.7-169.5-78.600112P491 T492 E493 L532 G537 Y538 L545 L580P491-M541 HydrophobicContact CB-CB 4.42Å; P491-M541 HydrophobicContact CB-CG 4.16Å; P491-M541 HydrophobicContact CG-CB 3.99Å; P491-M541 HydrophobicContact CG-CG 4.28Å; P491-M541 WeakPolarHBondContact CG-O 3.47Å; T492-M541 VanDerWaalsContact CA-SD 3.59Å; E493-M541 HydrophobicContact CB-CE 3.88Å; E493-M541 HydrophobicContact CB-SD 3.98Å; E493-M541 HydrophobicContact CG-CE 3.85Å; E493-M541 HydrophobicContact CG-CG 4.33Å; E493-M541 HydrophobicContact CG-SD 3.7Å; E493-M541 PolarHBondContact N-SD 3.25Å; E493-M541 VanDerWaalsContact N-SD 3.38Å; E493-M541 WeakPolarHBondContact OE2-CE 3.47Å; L532-M541 HydrophobicContact CD1-CE 3.7Å; L532-M541 HydrophobicContact CD1-SD 4.43Å; G537-M541 PolarHBondContact O-N 2.66Å; Y538-M541 HydrophobicContact CD2-CE 3.97Å; Y538-M541 PolarHBondContact O-N 2.88Å; M541-L545 VanDerWaalsContact O-CB 3.31Å; M541-L545 WeakPolarHBondContact O-CB 3.46Å; M541-L545 PolarHBondContact O-N 2.98Å; M541-L580 HydrophobicContact CB-CD1 4.08Å; M541-L580 HydrophobicContact CB-CD2 3.76Å
542L90.2Very high89.1Confident18 Ų1842.6 Ų42.69%0.09422%0.215CC..Hα-helixtrans-64.6-48.9172.8-68.4172.4000112.2Y538 S539 R540 Q544 L545 A546 L580 D583 L584Y538-L542 HydrophobicContact CD1-CD1 4.05Å; Y538-L542 HydrophobicContact CD1-CG 4.47Å; Y538-L542 HydrophobicContact CE1-CD1 3.8Å; Y538-L542 HydrophobicContact CE1-CG 4.22Å; Y538-L542 PolarHBondContact O-N 2.86Å; S539-L542 PolarHBondContact O-N 2.8Å; R540-L542 VanDerWaalsContact C-N 3.34Å; L542-Q544 VanDerWaalsContact C-N 3.31Å; L542-Q544 PolarHBondContact O-N 2.92Å; L542-L545 PolarHBondContact O-N 3.24Å; L542-A546 PolarHBondContact O-N 3.13Å; L542-L580 HydrophobicContact CD2-CB 4.23Å; L542-L580 HydrophobicContact CD2-CD2 3.65Å; L542-L580 VanDerWaalsContact CD2-O 3.27Å; L542-L580 WeakPolarHBondContact CD2-O 3.45Å; L542-L580 HydrophobicContact CG-CD2 3.92Å; L542-D583 HydrophobicContact CD1-CB 4.47Å; L542-D583 HydrophobicContact CD2-CB 4.03Å; L542-L584 HydrophobicContact CD2-CB 4.21Å
543E88.9Confident89.4Confident88 Ų8844.7 Ų44.741%0.41122%0.224SC..Hα-helixtrans-58.1-42.5176-74.5178.2178.600112.1S539 R540 F547 L608S539-E543 WeakPolarHBondContact O-CG 3.26Å; S539-E543 PolarHBondContact O-N 3.48Å; R540-E543 PolarHBondContact O-N 2.86Å; E543-F547 WeakPolarHBondContact O-CB 2.99Å; E543-F547 PolarHBondContact O-N 3.14Å; E543-L608 HydrophobicContact CG-CD2 4.09Å; E543-L608 WeakPolarHBondContact OE1-CD2 3.4Å
544Q91.1Very high89.8Confident84 Ų8445.7 Ų45.739%0.39323%0.233SC..Hα-helixtrans-71.6-36.6178.6-176.6173.30.400112.5P491 R540 L542 F547 N548P491-Q544 HydrophobicContact CB-CG 4.35Å; P491-Q544 HydrophobicContact CG-CB 4.21Å; P491-Q544 HydrophobicContact CG-CG 4.26Å; R540-Q544 VanDerWaalsContact O-CB 3.25Å; R540-Q544 WeakPolarHBondContact O-CB 3.48Å; R540-Q544 PolarHBondContact O-N 3.31Å; L542-Q544 VanDerWaalsContact C-N 3.31Å; L542-Q544 PolarHBondContact O-N 2.92Å; Q544-F547 PolarHBondContact O-N 3.42Å; Q544-N548 WeakPolarHBondContact O-CB 3.24Å; Q544-N548 PolarHBondContact O-N 2.93Å; Q544-N548 PolarHBondContact O-OD1 3.23Å
545L92.8Very high90.3Very high0 Ų048.4 Ų48.40%024%0.244CC..Hα-helixtrans-65.2-42.5173.7177.859.1000111.3I442 V488 P491 M541 L542 N548 L549 L580 L584I442-L545 HydrophobicContact CD1-CD1 4.47Å; I442-L545 HydrophobicContact CG1-CD1 4.46Å; I442-L545 HydrophobicContact CG2-CD1 3.76Å; I442-L545 HydrophobicContact CG2-CD2 4.25Å; V488-L545 HydrophobicContact CG1-CD1 4.4Å; P491-L545 HydrophobicContact CG-CB 4.41Å; M541-L545 VanDerWaalsContact O-CB 3.31Å; M541-L545 WeakPolarHBondContact O-CB 3.46Å; M541-L545 PolarHBondContact O-N 2.98Å; L542-L545 PolarHBondContact O-N 3.24Å; L545-N548 PolarHBondContact O-N 3.34Å; L545-L549 HydrophobicContact CD1-CD1 4.13Å; L545-L549 HydrophobicContact CD1-CG 4.18Å; L545-L549 HydrophobicContact CG-CD1 3.97Å; L545-L549 HydrophobicContact CG-CG 4.49Å; L545-L549 WeakPolarHBondContact O-CB 3.25Å; L545-L549 WeakPolarHBondContact O-CG 3.11Å; L545-L549 PolarHBondContact O-N 3.29Å; L545-L580 HydrophobicContact CD2-CB 3.54Å; L545-L584 HydrophobicContact CB-CD2 4.5Å; L545-L584 HydrophobicContact CD2-CD2 4.28Å; L545-L584 HydrophobicContact CG-CD2 4.1Å
546A92.3Very high90.8Very high0 Ų047.7 Ų47.70%024%0.239CC..Hα-helixtrans-60.9-46.7175.100000111.9L542 N548 L549 N550 L584 S669L542-A546 PolarHBondContact O-N 3.13Å; A546-N548 PolarHBondContact O-N 2.99Å; A546-L549 PolarHBondContact O-N 2.89Å; A546-N550 PolarHBondContact O-N 3.48Å; A546-L584 HydrophobicContact CB-CD1 3.86Å; A546-L584 HydrophobicContact CB-CD2 3.91Å; A546-S669 VanDerWaalsContact CB-O 3.23Å; A546-S669 WeakPolarHBondContact CB-O 3.43Å
547F93.2Very high91.5Very high134 Ų13443.9 Ų43.959%0.58821%0.211SC*.Hα-helixtrans-59-44.9174.2178.1-93.9000112.1E543 Q544 T551E543-F547 WeakPolarHBondContact O-CB 2.99Å; E543-F547 PolarHBondContact O-N 3.14Å; Q544-F547 PolarHBondContact O-N 3.42Å; F547-T551 VanDerWaalsContact O-CB 3.23Å; F547-T551 WeakPolarHBondContact O-CB 3.37Å; F547-T551 PolarHBondContact O-N 3.21Å; F547-T551 PolarHBondContact O-OG1 2.84Å
548N93.9Very high92Very high25 Ų2552.2 Ų52.213%0.13424%0.239CC..Hα-helixtrans-61.4-47177.1-74.3-0.4000111.1V488 P489 Q544 L545 A546 T551 H552V488-N548 HydrophobicContact CG1-CB 3.83Å; P489-N548 PolarHBondContact O-ND2 3.12Å; Q544-N548 WeakPolarHBondContact O-CB 3.24Å; Q544-N548 PolarHBondContact O-N 2.93Å; Q544-N548 PolarHBondContact O-OD1 3.23Å; L545-N548 PolarHBondContact O-N 3.34Å; A546-N548 PolarHBondContact O-N 2.99Å; N548-T551 PolarHBondContact O-N 3.43Å; N548-H552 PolarHBondContact O-N 2.93Å; N548-H552 PolarHBondContact O-ND1 3.32Å
549L95.1Very high92.2Very high1 Ų152.5 Ų52.51%0.00524%0.243CC..Hα-helixtrans-58.8-51.7178.9-79165000112.1L440 I442 V488 L545 A546 T551 H552 Y553 L571 L584 I671 F673L440-L549 HydrophobicContact CB-CD2 4.43Å; L440-L549 HydrophobicContact CD1-CD2 3.97Å; I442-L549 HydrophobicContact CD1-CD1 4.15Å; I442-L549 HydrophobicContact CD1-CD2 3.97Å; I442-L549 HydrophobicContact CG1-CD2 4.04Å; V488-L549 HydrophobicContact CB-CD2 4.46Å; V488-L549 HydrophobicContact CG1-CD2 4.08Å; V488-L549 HydrophobicContact CG1-CG 4.16Å; V488-L549 HydrophobicContact CG2-CD2 4.2Å; L545-L549 HydrophobicContact CD1-CD1 4.13Å; L545-L549 HydrophobicContact CD1-CG 4.18Å; L545-L549 HydrophobicContact CG-CD1 3.97Å; L545-L549 HydrophobicContact CG-CG 4.49Å; L545-L549 WeakPolarHBondContact O-CB 3.25Å; L545-L549 WeakPolarHBondContact O-CG 3.11Å; L545-L549 PolarHBondContact O-N 3.29Å; A546-L549 PolarHBondContact O-N 2.89Å; L549-T551 VanDerWaalsContact C-N 3.31Å; L549-T551 PolarHBondContact O-N 2.96Å; L549-H552 PolarHBondContact O-N 2.9Å; L549-Y553 VanDerWaalsContact O-CB 3.31Å; L549-Y553 WeakPolarHBondContact O-CB 3.41Å; L549-Y553 PolarHBondContact O-N 2.76Å; L549-L571 HydrophobicContact CD2-CD2 4Å; L549-L584 HydrophobicContact CD1-CD2 3.75Å; L549-I671 HydrophobicContact CD1-CD1 3.89Å; L549-I671 HydrophobicContact CD1-CG1 4.24Å; L549-F673 HydrophobicContact CB-CE1 4.41Å; L549-F673 HydrophobicContact CB-CZ 4.21Å; L549-F673 HydrophobicContact CD2-CZ 4.32Å
550N95Very high92.4Very high23 Ų2356.3 Ų56.312%0.12327%0.267CS..Hα-helixtrans-65.9-36.2-179-63.5-2.3000111.4A546 A554 S670 I671 D672A546-N550 PolarHBondContact O-N 3.48Å; N550-A554 VanDerWaalsContact O-CB 3.29Å; N550-A554 WeakPolarHBondContact O-CB 3.46Å; N550-A554 PolarHBondContact O-N 3.2Å; N550-S670 PolarHBondContact ND2-O 3.29Å; N550-I671 WeakPolarHBondContact OD1-CA 3.08Å; N550-D672 HydrophobicContact CB-CB 4.49Å; N550-D672 WeakPolarHBondContact CB-OD2 3.41Å; N550-D672 VanDerWaalsContact CG-OD2 3.24Å; N550-D672 PolarHBondContact ND2-OD1 2.69Å; N550-D672 PolarHBondContact ND2-OD2 2.76Å; N550-D672 PolarHBondContact OD1-N 2.88Å
551T94.9Very high92.4Very high39 Ų3951.3 Ų51.324%0.23925%0.251CS..Hα-helixtrans-63.7-52.3175.3-60.40000111.6F547 N548 L549 Y553 A554 E555F547-T551 VanDerWaalsContact O-CB 3.23Å; F547-T551 WeakPolarHBondContact O-CB 3.37Å; F547-T551 PolarHBondContact O-N 3.21Å; F547-T551 PolarHBondContact O-OG1 2.84Å; N548-T551 PolarHBondContact O-N 3.43Å; L549-T551 VanDerWaalsContact C-N 3.31Å; L549-T551 PolarHBondContact O-N 2.96Å; T551-Y553 VanDerWaalsContact C-N 3.3Å; T551-Y553 PolarHBondContact O-N 2.88Å; T551-A554 PolarHBondContact O-N 3.47Å; T551-E555 WeakPolarHBondContact O-CB 3.41Å; T551-E555 WeakPolarHBondContact O-CG 3.44Å; T551-E555 PolarHBondContact O-N 3.24Å
552H94.5Very high92.3Very high45 Ų4551.2 Ų51.221%0.20825%0.251CS..Hα-helixtrans-67.2-31.4-178.8-70.573.2000112.1L487 V488 N548 L549 F556L487-H552 PolarHBondContact O-CD2 2.92Å; V488-H552 HydrophobicContact CG2-CB 3.96Å; N548-H552 PolarHBondContact O-N 2.93Å; N548-H552 PolarHBondContact O-ND1 3.32Å; L549-H552 PolarHBondContact O-N 2.9Å; H552-F556 WeakPolarHBondContact O-CB 3.15Å; H552-F556 PolarHBondContact O-N 3.36Å
553Y95.3Very high92.1Very high45 Ų4555.6 Ų55.618%0.17627%0.273CS..Hα-helixtrans-65.2-49.9170.6-179.3-111.3000111.8L438 L549 T551 E555 F556 L557 V569 F673L438-Y553 HydrophobicContact CD2-CD2 3.66Å; L438-Y553 HydrophobicContact CD2-CE2 4.14Å; L549-Y553 VanDerWaalsContact O-CB 3.31Å; L549-Y553 WeakPolarHBondContact O-CB 3.41Å; L549-Y553 PolarHBondContact O-N 2.76Å; T551-Y553 VanDerWaalsContact C-N 3.3Å; T551-Y553 PolarHBondContact O-N 2.88Å; Y553-E555 VanDerWaalsContact C-N 3.34Å; Y553-E555 PolarHBondContact O-N 3.16Å; Y553-F556 WeakPolarHBondContact O-CB 3.36Å; Y553-F556 PolarHBondContact O-N 3.45Å; Y553-F556 VanDerWaalsContact O-N 3.16Å; Y553-L557 HydrophobicContact CD1-CD1 4.07Å; Y553-L557 HydrophobicContact CE1-CD1 3.56Å; Y553-L557 HydrophobicContact CE1-CG 4.3Å; Y553-L557 HydrophobicContact CE2-CG 4.47Å; Y553-L557 WeakPolarHBondContact O-CG 3.45Å; Y553-L557 PolarHBondContact O-N 3.37Å; Y553-V569 HydrophobicContact CD2-CG2 4.39Å; Y553-V569 HydrophobicContact CE2-CG2 3.78Å; Y553-F673 HydrophobicContact CD1-CB 4.18Å; Y553-F673 AromaticContact CD1-CD1 3.43Å; Y553-F673 HydrophobicContact CD1-CD1 3.43Å; Y553-F673 VanDerWaalsContact CD1-CD1 3.43Å; Y553-F673 HydrophobicContact CD1-CE1 4.14Å; Y553-F673 HydrophobicContact CD1-CG 4.09Å; Y553-F673 AromaticContact CD2-CD1 3.89Å; Y553-F673 HydrophobicContact CD2-CD1 3.89Å; Y553-F673 HydrophobicContact CD2-CE1 4.24Å; Y553-F673 HydrophobicContact CD2-CG 4.11Å; Y553-F673 HydrophobicContact CE1-CB 3.75Å; Y553-F673 AromaticContact CE1-CD1 3.93Å; Y553-F673 HydrophobicContact CE1-CD1 3.93Å; Y553-F673 HydrophobicContact CE1-CG 4.16Å; Y553-F673 HydrophobicContact CE2-CB 4.15Å; Y553-F673 HydrophobicContact CE2-CD1 4.36Å; Y553-F673 HydrophobicContact CE2-CG 4.2Å; Y553-F673 AromaticContact CG-CD1 3.4Å; Y553-F673 HydrophobicContact CG-CD1 3.4Å; Y553-F673 AromaticContact CG-CE1 3.72Å; Y553-F673 HydrophobicContact CG-CE1 3.72Å; Y553-F673 HydrophobicContact CG-CG 4.06Å
554A94.1Very high91.9Very high29 Ų2959.3 Ų59.324%0.2429%0.29CS..Hα-helixtrans-65.5-34178.500000112.9N550 T551 R558N550-A554 VanDerWaalsContact O-CB 3.29Å; N550-A554 WeakPolarHBondContact O-CB 3.46Å; N550-A554 PolarHBondContact O-N 3.2Å; T551-A554 PolarHBondContact O-N 3.47Å; A554-R558 WeakPolarHBondContact O-CG 3.46Å; A554-R558 PolarHBondContact O-N 3Å; A554-R558 VanDerWaalsContact O-N 3.07Å
555E93.8Very high91.9Very high100 Ų10056.4 Ų56.447%0.46728%0.276SS..Hα-helixtrans-65.8-40.9170.6-76.4-179.3-179.500112.6T551 Y553 R558 S559T551-E555 WeakPolarHBondContact O-CB 3.41Å; T551-E555 WeakPolarHBondContact O-CG 3.44Å; T551-E555 PolarHBondContact O-N 3.24Å; Y553-E555 VanDerWaalsContact C-N 3.34Å; Y553-E555 PolarHBondContact O-N 3.16Å; E555-R558 PolarHBondContact O-N 3.13Å; E555-S559 PolarHBondContact O-N 3.14Å; E555-S559 VanDerWaalsContact O-N 3.08Å
556F94.5Very high91.5Very high1 Ų162.2 Ų62.20%0.00432%0.317CS..Hα-helixtrans-62.3-45.2173.7170-107.6000111.6K435 L438 A484 H552 Y553 R558 S559 E561 G562 F565K435-F556 HydrophobicContact CB-CZ 4.15Å; K435-F556 HydrophobicContact CG-CE2 4.4Å; K435-F556 HydrophobicContact CG-CZ 4.23Å; L438-F556 HydrophobicContact CB-CD1 4.45Å; L438-F556 HydrophobicContact CB-CE1 4.05Å; L438-F556 HydrophobicContact CB-CZ 4.49Å; L438-F556 HydrophobicContact CD1-CB 4.43Å; L438-F556 HydrophobicContact CD1-CD1 3.81Å; L438-F556 HydrophobicContact CD1-CD2 3.97Å; L438-F556 HydrophobicContact CD1-CE1 3.95Å; L438-F556 HydrophobicContact CD1-CE2 4.13Å; L438-F556 HydrophobicContact CD1-CG 3.78Å; L438-F556 HydrophobicContact CD1-CZ 4.12Å; L438-F556 HydrophobicContact CD2-CB 4.5Å; L438-F556 HydrophobicContact CD2-CD1 3.56Å; L438-F556 HydrophobicContact CD2-CE1 3.98Å; L438-F556 HydrophobicContact CD2-CG 4.15Å; L438-F556 HydrophobicContact CG-CD1 4.14Å; L438-F556 HydrophobicContact CG-CE1 4.21Å; A484-F556 HydrophobicContact CB-CD2 4.41Å; A484-F556 HydrophobicContact CB-CE2 3.59Å; A484-F556 HydrophobicContact CB-CZ 3.97Å; H552-F556 WeakPolarHBondContact O-CB 3.15Å; H552-F556 PolarHBondContact O-N 3.36Å; Y553-F556 WeakPolarHBondContact O-CB 3.36Å; Y553-F556 PolarHBondContact O-N 3.45Å; Y553-F556 VanDerWaalsContact O-N 3.16Å; F556-R558 VanDerWaalsContact C-N 3.26Å; F556-R558 PolarHBondContact O-N 3.22Å; F556-S559 VanDerWaalsContact O-CB 3.31Å; F556-S559 WeakPolarHBondContact O-CB 3.48Å; F556-S559 PolarHBondContact O-N 3.37Å; F556-S559 PolarHBondContact O-OG 3.05Å; F556-E561 HydrophobicContact CE2-CB 3.96Å; F556-G562 WeakPolarHBondContact O-CA 3.38Å; F556-F565 HydrophobicContact CE1-CB 3.91Å; F556-F565 AromaticContact CE1-CD1 3.91Å; F556-F565 HydrophobicContact CE1-CD1 3.91Å; F556-F565 AromaticContact CE1-CD2 3.62Å; F556-F565 HydrophobicContact CE1-CD2 3.62Å; F556-F565 HydrophobicContact CE1-CE1 4.3Å; F556-F565 HydrophobicContact CE1-CE2 4.02Å; F556-F565 AromaticContact CE1-CG 3.54Å; F556-F565 HydrophobicContact CE1-CG 3.54Å; F556-F565 HydrophobicContact CE1-CZ 4.34Å; F556-F565 HydrophobicContact CZ-CB 4.4Å; F556-F565 AromaticContact CZ-CD2 3.82Å; F556-F565 HydrophobicContact CZ-CD2 3.82Å; F556-F565 HydrophobicContact CZ-CE2 4.25Å; F556-F565 HydrophobicContact CZ-CG 4.14Å
557L93.6Very high91.3Very high59 Ų5963.2 Ų63.231%0.30933%0.327SS..Hα-helixtrans-61.2-31.1175.4-67.8-178000113.2Y553 S559 G562 I563 F565Y553-L557 HydrophobicContact CD1-CD1 4.07Å; Y553-L557 HydrophobicContact CE1-CD1 3.56Å; Y553-L557 HydrophobicContact CE1-CG 4.3Å; Y553-L557 HydrophobicContact CE2-CG 4.47Å; Y553-L557 WeakPolarHBondContact O-CG 3.45Å; Y553-L557 PolarHBondContact O-N 3.37Å; L557-S559 VanDerWaalsContact C-N 3.32Å; L557-G562 CarbonylContact O-C 3.58Å; L557-I563 VanDerWaalsContact O-CA 3.32Å; L557-I563 WeakPolarHBondContact O-CA 3.38Å; L557-I563 PolarHBondContact O-N 2.89Å; L557-F565 HydrophobicContact CD2-CB 3.96Å; L557-F565 HydrophobicContact CD2-CD1 4.16Å
558R92.3Very high91.4Very high186 Ų18660.3 Ų60.370%0.70231%0.314SS*.Hα-helixtrans-78.9-12.1172.4-69.1179.3-132.9125.10.2113.8A554 E555 F556A554-R558 WeakPolarHBondContact O-CG 3.46Å; A554-R558 PolarHBondContact O-N 3Å; A554-R558 VanDerWaalsContact O-N 3.07Å; E555-R558 PolarHBondContact O-N 3.13Å; F556-R558 VanDerWaalsContact C-N 3.26Å; F556-R558 PolarHBondContact O-N 3.22Å
559S90.8Very high91.5Very high22 Ų2259.3 Ų59.315%0.15431%0.309CS..SBendtrans-82.4157-176.880.30000112.7E555 F556 L557 E561 G562 I563E555-S559 PolarHBondContact O-N 3.14Å; E555-S559 VanDerWaalsContact O-N 3.08Å; F556-S559 VanDerWaalsContact O-CB 3.31Å; F556-S559 WeakPolarHBondContact O-CB 3.48Å; F556-S559 PolarHBondContact O-N 3.37Å; F556-S559 PolarHBondContact O-OG 3.05Å; L557-S559 VanDerWaalsContact C-N 3.32Å; S559-E561 PolarHBondContact O-N 3.44Å; S559-G562 PolarHBondContact O-N 3.29Å; S559-I563 PolarHBondContact O-N 3.43Å; S559-I563 VanDerWaalsContact O-N 3.1Å
560P87.8Confident91.6Very high106 Ų10659.3 Ų59.369%0.68831%0.309SS*.THydrogen-bonded Turntrans-59.4-18.4177.2-25.235.3000115.2N432N432-P560 PolarHBondContact ND2-O 3.35Å
561E86.4Confident91.7Very high70 Ų7058.2 Ų58.233%0.32730%0.303SS..THydrogen-bonded Turntrans-83.6-24.1174.6-64.6-176.3-15800113K435 F556 S559K435-E561 WeakPolarHBondContact CE-OE2 3.3Å; K435-E561 HydrophobicContact CG-CB 4.05Å; K435-E561 VanDerWaalsContact CG-O 3.31Å; K435-E561 WeakPolarHBondContact CG-O 3.46Å; K435-E561 IonicContact NZ-OE2 3.73Å; F556-E561 HydrophobicContact CE2-CB 3.96Å; S559-E561 PolarHBondContact O-N 3.44Å
562G88.4Confident91.8Very high0 Ų056.4 Ų56.40%029%0.292CS..THydrogen-bonded Turntrans-118.5-6.3-167.300000116.4F556 L557 S559 H564 F565F556-G562 WeakPolarHBondContact O-CA 3.38Å; L557-G562 CarbonylContact O-C 3.58Å; S559-G562 PolarHBondContact O-N 3.29Å; G562-H564 PolarHBondContact O-N 2.97Å; G562-F565 WeakPolarHBondContact O-CB 3.43Å; G562-F565 PolarHBondContact O-N 3.01Å
563I84.8Confident91.9Very high110 Ų11054.2 Ų54.256%0.56428%0.282SS*.THydrogen-bonded Turntrans-56.4-20.1-178.1-166.3166.9000115.2L557 S559L557-I563 VanDerWaalsContact O-CA 3.32Å; L557-I563 WeakPolarHBondContact O-CA 3.38Å; L557-I563 PolarHBondContact O-N 2.89Å; S559-I563 PolarHBondContact O-N 3.43Å; S559-I563 VanDerWaalsContact O-N 3.1Å
564H84.9Confident91.8Very high166 Ų16652.1 Ų52.177%0.76927%0.274SS*.THydrogen-bonded Turntrans-126.128.5175.3-58.8-26.6000112.1G562 S566G562-H564 PolarHBondContact O-N 2.97Å; H564-S566 PolarHBondContact O-N 3.24Å
565F90.8Very high91.6Very high24 Ų2451 Ų5111%0.10526%0.264CS..  trans-75.5105-178.5-177.1-98.8000112.1K435 L438 F556 L557 G562 V569K435-F565 HydrophobicContact CB-CD2 4.03Å; K435-F565 HydrophobicContact CB-CE2 4.35Å; K435-F565 WeakPolarHBondContact O-CD2 3.43Å; L438-F565 HydrophobicContact CB-CE1 4.24Å; L438-F565 HydrophobicContact CB-CE2 4.05Å; L438-F565 HydrophobicContact CB-CZ 3.61Å; F556-F565 HydrophobicContact CE1-CB 3.91Å; F556-F565 AromaticContact CE1-CD1 3.91Å; F556-F565 HydrophobicContact CE1-CD1 3.91Å; F556-F565 AromaticContact CE1-CD2 3.62Å; F556-F565 HydrophobicContact CE1-CD2 3.62Å; F556-F565 HydrophobicContact CE1-CE1 4.3Å; F556-F565 HydrophobicContact CE1-CE2 4.02Å; F556-F565 AromaticContact CE1-CG 3.54Å; F556-F565 HydrophobicContact CE1-CG 3.54Å; F556-F565 HydrophobicContact CE1-CZ 4.34Å; F556-F565 HydrophobicContact CZ-CB 4.4Å; F556-F565 AromaticContact CZ-CD2 3.82Å; F556-F565 HydrophobicContact CZ-CD2 3.82Å; F556-F565 HydrophobicContact CZ-CE2 4.25Å; F556-F565 HydrophobicContact CZ-CG 4.14Å; L557-F565 HydrophobicContact CD2-CB 3.96Å; L557-F565 HydrophobicContact CD2-CD1 4.16Å; G562-F565 WeakPolarHBondContact O-CB 3.43Å; G562-F565 PolarHBondContact O-N 3.01Å; F565-V569 HydrophobicContact CE1-CG2 4Å; F565-V569 HydrophobicContact CZ-CG2 4.41Å
566S85Confident91.4Very high121 Ų12146.3 Ų46.385%0.84624%0.242SC*.  trans-10620.3164.254.40000112.1H564H564-S566 PolarHBondContact O-N 3.24Å
567G89.1Confident91.3Very high21 Ų2146.2 Ų46.222%0.21624%0.242CC..SBendtrans-80.7-170.6-17300000114.7L436L436-G567 CarbonylContact O-C 3.59Å; L436-G567 WeakPolarHBondContact O-CA 3.42Å
568K93.8Very high91.4Very high74 Ų7443.4 Ų43.432%0.32223%0.227SC..EExtended strand (participates in β ladder)trans-95.9137-179.2-57.4-56.6-152164.10111.7L436 V437 L438 Q676 T894 L895L436-K568 PolarHBondContact O-N 2.85Å; V437-K568 WeakPolarHBondContact CA-O 3.45Å; L438-K568 PolarHBondContact N-O 3.06Å; K568-Q676 HydrophobicContact CB-CG 4.17Å; K568-Q676 HydrophobicContact CD-CG 3.84Å; K568-Q676 HydrophobicContact CG-CG 4.34Å; K568-T894 HydrophobicContact CB-CG2 4.48Å; K568-T894 WeakPolarHBondContact CE-O 3.37Å; K568-T894 HydrophobicContact CG-CG2 4.24Å; K568-L895 HydrophobicContact CB-CD2 4.45Å; K568-L895 HydrophobicContact CG-CD2 3.72Å
569V96Very high91.4Very high4 Ų434.6 Ų34.62%0.02419%0.194CC..EExtended strand (participates in β ladder)trans-99.2125.5174.5-170.40000109.8L438 L440 Y553 F565 F673 Q676L438-V569 HydrophobicContact CD2-CG1 4.36Å; L438-V569 HydrophobicContact CD2-CG2 4.44Å; L438-V569 WeakPolarHBondContact O-CA 3.39Å; L440-V569 HydrophobicContact CD1-CG1 4.2Å; L440-V569 HydrophobicContact CG-CG1 4.36Å; Y553-V569 HydrophobicContact CD2-CG2 4.39Å; Y553-V569 HydrophobicContact CE2-CG2 3.78Å; F565-V569 HydrophobicContact CE1-CG2 4Å; F565-V569 HydrophobicContact CZ-CG2 4.41Å; V569-F673 HydrophobicContact CB-CD2 4.09Å; V569-F673 HydrophobicContact CB-CE2 4.46Å; V569-F673 HydrophobicContact CG1-CD2 3.75Å; V569-F673 HydrophobicContact CG1-CE2 3.64Å; V569-F673 HydrophobicContact CG2-CD2 4.19Å; V569-Q676 PolarHBondContact O-N 3.03Å; V569-Q676 PolarHBondContact O-OE1 3.05Å
570C96.8Very high91.4Very high1 Ų133.5 Ų33.51%0.00719%0.186CC..EExtended strand (participates in β ladder)trans-115.4138.7172.8-60.90000109.3L438 I439 L440 N677 F679L438-C570 PolarHBondContact O-N 3.38Å; I439-C570 WeakPolarHBondContact CA-O 3.22Å; L440-C570 PolarHBondContact N-O 2.71Å; C570-N677 CarbonylContact C-O 3.47Å; C570-N677 WeakPolarHBondContact CA-O 3.37Å; C570-N677 HydrophobicContact CB-CB 4.35Å; C570-F679 HydrophobicContact CB-CE2 4.31Å
571L97.5Very high91.7Very high0 Ų028.5 Ų28.50%015%0.154CC..EExtended strand (participates in β ladder)trans-99.6132.4169.6-61.9-173.2000109.3L440 I442 L549 L585 F673 V675 N677 F678 F679L440-L571 HydrophobicContact CB-CD2 3.73Å; L440-L571 HydrophobicContact CD1-CD2 4.16Å; L440-L571 HydrophobicContact CG-CD2 4.44Å; L440-L571 WeakPolarHBondContact O-CA 3.13Å; I442-L571 HydrophobicContact CD1-CD1 4.07Å; I442-L571 HydrophobicContact CD1-CD2 4.39Å; L549-L571 HydrophobicContact CD2-CD2 4Å; L571-L585 HydrophobicContact CD1-CD1 4.17Å; L571-L585 HydrophobicContact CD1-CD2 4.49Å; L571-F673 HydrophobicContact CD2-CE2 4.37Å; L571-V675 HydrophobicContact CB-CG1 4.28Å; L571-V675 HydrophobicContact CD1-CG1 4.12Å; L571-V675 HydrophobicContact CD1-CG2 3.64Å; L571-V675 HydrophobicContact CD2-CG2 4.35Å; L571-V675 HydrophobicContact CG-CB 4.43Å; L571-V675 HydrophobicContact CG-CG1 3.78Å; L571-V675 HydrophobicContact CG-CG2 3.72Å; L571-N677 PolarHBondContact N-O 2.86Å; L571-F678 HydrophobicContact CB-CD2 3.87Å; L571-F678 WeakPolarHBondContact O-CA 3.39Å; L571-F679 PolarHBondContact O-N 2.94Å
572V97.3Very high91.9Very high0 Ų025.2 Ų25.20%014%0.139CC..EExtended strand (participates in β ladder)trans-118.7126.9167.31750000106.4I439 L440 V441 I442 F464 F679 L681 W878 I887I439-V572 HydrophobicContact CG2-CB 4.18Å; I439-V572 HydrophobicContact CG2-CG2 3.58Å; L440-V572 PolarHBondContact O-N 3.25Å; V441-V572 CarbonylContact C-O 3.53Å; V441-V572 VanDerWaalsContact CA-O 3.23Å; V441-V572 WeakPolarHBondContact CA-O 3.34Å; V441-V572 HydrophobicContact CG1-CG1 4.45Å; V441-V572 HydrophobicContact CG2-CB 4.39Å; I442-V572 PolarHBondContact N-O 3.41Å; F464-V572 HydrophobicContact CZ-CG1 4.48Å; F464-V572 HydrophobicContact CZ-CG2 4.48Å; V572-F679 CarbonylContact C-O 3.49Å; V572-F679 WeakPolarHBondContact CA-O 3.38Å; V572-F679 HydrophobicContact CG2-CB 4.19Å; V572-F679 HydrophobicContact CG2-CD2 3.83Å; V572-F679 HydrophobicContact CG2-CG 4.37Å; V572-L681 HydrophobicContact CG1-CD1 3.55Å; V572-L681 HydrophobicContact CG1-CG 4.17Å; V572-W878 HydrophobicContact CG1-CZ3 4.29Å; V572-I887 HydrophobicContact CG2-CD1 4.26Å
573A96Very high92Very high0 Ų026.6 Ų26.60%015%0.146CC..EExtended strand (participates in β ladder)trans-133.7144.1-177.500000111.1I442 S578 A581 F678 F679 L681I442-A573 HydrophobicContact CB-CB 3.95Å; I442-A573 WeakPolarHBondContact O-CA 3.5Å; A573-S578 PolarHBondContact O-OG 3.16Å; A573-S578 VanDerWaalsContact O-OG 3.14Å; A573-A581 HydrophobicContact CB-CB 4.43Å; A573-F678 HydrophobicContact CB-CE2 3.83Å; A573-F679 PolarHBondContact N-O 3.31Å; A573-L681 WeakPolarHBondContact O-CB 3.26Å; A573-L681 WeakPolarHBondContact O-CG 3.2Å; A573-L681 PolarHBondContact O-N 2.82Å
574D93.4Very high92.2Very high1 Ų122.8 Ų22.81%0.00513%0.127CC..  trans-88.2-167.3177.967.6-1.5000112.6I442 H443 G444 G445 V576 G577 S578 L681 H874 W878I442-D574 PolarHBondContact O-N 2.88Å; H443-D574 IonicContact CE1-OD2 3.43Å; H443-D574 IonicContact CG-OD2 2.93Å; H443-D574 IonicContact ND1-OD2 3.69Å; H443-D574 PolarHBondContact ND1-OD2 2.77Å; G444-D574 VanDerWaalsContact N-CG 3.33Å; G444-D574 PolarHBondContact N-OD1 3.33Å; G444-D574 PolarHBondContact N-OD2 3.09Å; G444-D574 VanDerWaalsContact N-OD2 3.08Å; G445-D574 WeakPolarHBondContact CA-OD2 3.27Å; G445-D574 PolarHBondContact N-OD2 2.92Å; D574-V576 PolarHBondContact O-N 2.78Å; D574-G577 PolarHBondContact O-N 3.03Å; D574-G577 WeakPolarHBondContact OD1-CA 3.18Å; D574-G577 PolarHBondContact OD1-N 3.1Å; D574-S578 WeakPolarHBondContact O-CB 3.43Å; D574-S578 PolarHBondContact O-N 2.91Å; D574-S578 PolarHBondContact O-OG 3.2Å; D574-L681 CarbonylContact C-O 3.59Å; D574-L681 VanDerWaalsContact C-O 3.27Å; D574-H874 IonicContact OD2-CD2 2.71Å; D574-H874 IonicContact OD2-CE1 3.54Å; D574-H874 IonicContact OD2-NE2 3.72Å; D574-H874 PolarHBondContact OD2-NE2 2.98Å; D574-W878 HydrophobicContact CB-CH2 3.98Å; D574-W878 HydrophobicContact CB-CZ2 3.73Å
575S90.6Very high92.5Very high5 Ų515.1 Ų15.14%0.0359%0.091CC..Hα-helixtrans-51.5-52.5-173.2-1600000112.3L681 G682 P684S575-L681 PolarHBondContact N-O 2.8Å; S575-L681 VanDerWaalsContact N-O 3.12Å; S575-G682 WeakPolarHBondContact CA-O 3.44Å; S575-G682 VanDerWaalsContact CB-O 3.23Å; S575-G682 WeakPolarHBondContact CB-O 3.42Å; S575-G682 PolarHBondContact OG-O 3.16Å; S575-P684 WeakPolarHBondContact O-CD 3.24Å
576V90.2Very high92.2Very high1 Ų115.9 Ų15.91%0.00610%0.098CC..Hα-helixtrans-81.8-40.3179.6179.10000111.5G445 I447 I494 L532 D574 S578 I579G445-V576 WeakPolarHBondContact O-CG2 3.48Å; G445-V576 PolarHBondContact O-N 3.14Å; I447-V576 HydrophobicContact CD1-CG2 4.28Å; I494-V576 HydrophobicContact CD1-CB 4.35Å; I494-V576 HydrophobicContact CD1-CG1 3.95Å; I494-V576 HydrophobicContact CD1-CG2 3.41Å; I494-V576 VanDerWaalsContact CD1-CG2 3.41Å; L532-V576 HydrophobicContact CD2-CG1 4.18Å; D574-V576 PolarHBondContact O-N 2.78Å; V576-S578 VanDerWaalsContact C-N 3.25Å; V576-S578 PolarHBondContact O-N 2.91Å; V576-I579 WeakPolarHBondContact O-CB 3.28Å; V576-I579 PolarHBondContact O-N 3.04Å
577G92.7Very high91.2Very high0 Ų015.8 Ų15.80%08%0.082CC..Hα-helixtrans-59.3-35.5178.800000113.3D574 I579 A581D574-G577 PolarHBondContact O-N 3.03Å; D574-G577 WeakPolarHBondContact OD1-CA 3.18Å; D574-G577 PolarHBondContact OD1-N 3.1Å; G577-I579 VanDerWaalsContact C-N 3.32Å; G577-I579 PolarHBondContact O-N 3.29Å; G577-A581 WeakPolarHBondContact O-CB 3.47Å; G577-A581 PolarHBondContact O-N 3.16Å
578S94Very high89.4Confident0 Ų019.1 Ų19.10%010%0.102CC..Hα-helixtrans-65.4-33.2179.5-64.10000112.8A573 D574 V576 H582 M680 S683A573-S578 PolarHBondContact O-OG 3.16Å; A573-S578 VanDerWaalsContact O-OG 3.14Å; D574-S578 WeakPolarHBondContact O-CB 3.43Å; D574-S578 PolarHBondContact O-N 2.91Å; D574-S578 PolarHBondContact O-OG 3.2Å; V576-S578 VanDerWaalsContact C-N 3.25Å; V576-S578 PolarHBondContact O-N 2.91Å; S578-H582 WeakPolarHBondContact O-CB 3.38Å; S578-H582 PolarHBondContact O-N 3.14Å; S578-M680 WeakPolarHBondContact OG-CA 3.21Å; S578-M680 WeakPolarHBondContact OG-CB 3.19Å; S578-S683 WeakPolarHBondContact CB-OG 3.48Å
579I92.4Very high86.6Confident0 Ų020 Ų200%012%0.117CC..Hα-helixtrans-63.9-55.4179.9-59169.5000109.6I447 P529 L532 I533 Y538 V576 G577 H582 D583 P684 I688I447-I579 HydrophobicContact CD1-CD1 3.97Å; P529-I579 HydrophobicContact CB-CD1 4.04Å; L532-I579 HydrophobicContact CD2-CD1 4.01Å; I533-I579 HydrophobicContact CG2-CG2 3.69Å; Y538-I579 HydrophobicContact CE2-CG2 4.16Å; Y538-I579 WeakPolarHBondContact OH-CG2 3.5Å; V576-I579 WeakPolarHBondContact O-CB 3.28Å; V576-I579 PolarHBondContact O-N 3.04Å; G577-I579 VanDerWaalsContact C-N 3.32Å; G577-I579 PolarHBondContact O-N 3.29Å; I579-H582 PolarHBondContact O-N 2.73Å; I579-D583 PolarHBondContact O-N 3.3Å; I579-P684 HydrophobicContact CD1-CG 3.71Å; I579-P684 HydrophobicContact CG1-CG 3.99Å; I579-I688 HydrophobicContact CB-CD1 4.26Å; I579-I688 HydrophobicContact CD1-CD1 4.08Å; I579-I688 HydrophobicContact CG1-CD1 3.76Å; I579-I688 HydrophobicContact CG2-CD1 3.64Å
580L91.8Very high83.4Confident0 Ų026.6 Ų26.60%015%0.151CC..Hα-helixtrans-68.6-36.8-179.5-71.4164.8000111.8C490 P491 Y538 M541 L542 L545 L584C490-L580 VanDerWaalsContact SG-CD1 3.59Å; P491-L580 HydrophobicContact CG-CD1 4.49Å; P491-L580 WeakPolarHBondContact O-CD1 3.39Å; Y538-L580 HydrophobicContact CD2-CD2 3.9Å; Y538-L580 HydrophobicContact CE2-CD2 3.4Å; Y538-L580 VanDerWaalsContact CE2-CD2 3.4Å; Y538-L580 HydrophobicContact CE2-CG 4.15Å; M541-L580 HydrophobicContact CB-CD1 4.08Å; M541-L580 HydrophobicContact CB-CD2 3.76Å; L542-L580 HydrophobicContact CD2-CB 4.23Å; L542-L580 HydrophobicContact CD2-CD2 3.65Å; L542-L580 VanDerWaalsContact CD2-O 3.27Å; L542-L580 WeakPolarHBondContact CD2-O 3.45Å; L542-L580 HydrophobicContact CG-CD2 3.92Å; L545-L580 HydrophobicContact CD2-CB 3.54Å; L580-L584 VanDerWaalsContact O-CB 3.24Å; L580-L584 WeakPolarHBondContact O-CB 3.46Å; L580-L584 PolarHBondContact O-N 2.6Å
581A93.3Very high80.1Confident1 Ų131.5 Ų31.51%0.00819%0.185CC..Hα-helixtrans-67.3-41176.500000112.7I442 A573 G577 L584 L585 F678I442-A581 HydrophobicContact CD1-CB 3.73Å; A573-A581 HydrophobicContact CB-CB 4.43Å; G577-A581 WeakPolarHBondContact O-CB 3.47Å; G577-A581 PolarHBondContact O-N 3.16Å; A581-L584 PolarHBondContact O-N 3.18Å; A581-L585 WeakPolarHBondContact O-CB 3.47Å; A581-L585 WeakPolarHBondContact O-CD1 3.28Å; A581-L585 WeakPolarHBondContact O-CG 3.45Å; A581-L585 PolarHBondContact O-N 3.42Å; A581-F678 HydrophobicContact CB-CE2 3.71Å; A581-F678 HydrophobicContact CB-CZ 3.63Å
582H92.2Very high76.7Confident1 Ų140 Ų401%0.00523%0.225CC..Hα-helixtrans-57.3-51.7175.2169.5-77.7000111.6S578 I579 L585 T586 F678 I685 L725 W846S578-H582 WeakPolarHBondContact O-CB 3.38Å; S578-H582 PolarHBondContact O-N 3.14Å; I579-H582 PolarHBondContact O-N 2.73Å; H582-L585 PolarHBondContact O-N 3.05Å; H582-T586 PolarHBondContact O-N 3.08Å; H582-T586 VanDerWaalsContact O-N 3.12Å; H582-T586 PolarHBondContact O-OG1 3.31Å; H582-F678 HydrophobicContact CB-CE1 4.46Å; H582-I685 HydrophobicContact CB-CD1 3.85Å; H582-I685 HydrophobicContact CB-CG1 4.18Å; H582-I685 VanDerWaalsContact CG-CD1 3.48Å; H582-L725 WeakPolarHBondContact O-CD2 3.41Å; H582-W846 AromaticContact CD2-CH2 3.48Å; H582-W846 VanDerWaalsContact CD2-CH2 3.48Å; H582-W846 WeakPolarHBondContact CD2-CH2 3.4Å; H582-W846 AromaticContact NE2-CH2 3.39Å; H582-W846 WeakPolarHBondContact NE2-CH2 3.47Å; H582-W846 AromaticContact NE2-CZ2 3.6Å
583D89.2Confident73.5Confident29 Ų2948.6 Ų48.616%0.15527%0.265CS..Hα-helixtrans-68.2-38.6-176.6-75.5-3.1000111.6Y538 L542 I579 L585 T586 R692Y538-D583 WeakPolarHBondContact CE1-OD2 3.41Å; Y538-D583 PolarHBondContact OH-OD2 2.75Å; L542-D583 HydrophobicContact CD1-CB 4.47Å; L542-D583 HydrophobicContact CD2-CB 4.03Å; I579-D583 PolarHBondContact O-N 3.3Å; D583-L585 VanDerWaalsContact C-N 3.27Å; D583-L585 PolarHBondContact O-N 2.92Å; D583-T586 PolarHBondContact O-N 3.24Å; D583-R692 IonicContact OD1-CZ 2.87Å; D583-R692 IonicContact OD1-NH1 3.53Å; D583-R692 PolarHBondContact OD1-NH1 2.79Å; D583-R692 IonicContact OD1-NH2 3.47Å; D583-R692 PolarHBondContact OD1-NH2 2.85Å; D583-R692 IonicContact OD2-CZ 3.64Å; D583-R692 IonicContact OD2-NH1 3.63Å; D583-R692 IonicContact OD2-NH2 4Å; D583-R692 PolarHBondContact OD2-NH2 2.68Å
584L90.1Very high70.3Confident30 Ų3054 Ų5416%0.15730%0.303CS..Hα-helixtrans-64.6-27.8173.9-178.659.2000113.3L542 L545 A546 L549 L580 A581 I671L542-L584 HydrophobicContact CD2-CB 4.21Å; L545-L584 HydrophobicContact CB-CD2 4.5Å; L545-L584 HydrophobicContact CD2-CD2 4.28Å; L545-L584 HydrophobicContact CG-CD2 4.1Å; A546-L584 HydrophobicContact CB-CD1 3.86Å; A546-L584 HydrophobicContact CB-CD2 3.91Å; L549-L584 HydrophobicContact CD1-CD2 3.75Å; L580-L584 VanDerWaalsContact O-CB 3.24Å; L580-L584 WeakPolarHBondContact O-CB 3.46Å; L580-L584 PolarHBondContact O-N 2.6Å; A581-L584 PolarHBondContact O-N 3.18Å; L584-I671 HydrophobicContact CD2-CD1 3.89Å; L584-I671 HydrophobicContact CD2-CG1 3.92Å; L584-I671 HydrophobicContact CG-CD1 3.97Å; L584-I671 HydrophobicContact CG-CG1 4.03Å
585L90Very high67.2Low5 Ų561.7 Ų61.73%0.02634%0.342CS..Hα-helixtrans-87.2-13.7177.4-71.7166.8000113.7L571 A581 H582 D583 I671 V675 F678 L725 S726 V727L571-L585 HydrophobicContact CD1-CD1 4.17Å; L571-L585 HydrophobicContact CD1-CD2 4.49Å; A581-L585 WeakPolarHBondContact O-CB 3.47Å; A581-L585 WeakPolarHBondContact O-CD1 3.28Å; A581-L585 WeakPolarHBondContact O-CG 3.45Å; A581-L585 PolarHBondContact O-N 3.42Å; H582-L585 PolarHBondContact O-N 3.05Å; D583-L585 VanDerWaalsContact C-N 3.27Å; D583-L585 PolarHBondContact O-N 2.92Å; L585-I671 HydrophobicContact CD2-CD1 3.91Å; L585-V675 HydrophobicContact CD2-CB 4.47Å; L585-V675 HydrophobicContact CD2-CG2 4.18Å; L585-F678 HydrophobicContact CD1-CB 4.4Å; L585-F678 HydrophobicContact CD1-CD1 3.71Å; L585-F678 HydrophobicContact CD1-CD2 4.35Å; L585-F678 HydrophobicContact CD1-CE1 3.97Å; L585-F678 HydrophobicContact CD1-CG 3.92Å; L585-F678 HydrophobicContact CD1-CZ 4.39Å; L585-L725 HydrophobicContact CB-CD2 4.1Å; L585-L725 CarbonylContact O-C 3.41Å; L585-S726 VanDerWaalsContact O-CB 3.22Å; L585-S726 WeakPolarHBondContact O-CB 3.32Å; L585-S726 PolarHBondContact O-N 3.47Å; L585-S726 PolarHBondContact O-OG 2.82Å; L585-V727 HydrophobicContact CD1-CG1 3.85Å; L585-V727 HydrophobicContact CD2-CG1 4.07Å; L585-V727 HydrophobicContact CG-CG1 4.46Å
586T84.7Confident64.4Low40 Ų4067 Ų6725%0.24538%0.379CS..BIsolated β-bridgetrans-74.9126.4-172.3-64.20000112.1H582 D583 S588 I723 L725H582-T586 PolarHBondContact O-N 3.08Å; H582-T586 VanDerWaalsContact O-N 3.12Å; H582-T586 PolarHBondContact O-OG1 3.31Å; D583-T586 PolarHBondContact O-N 3.24Å; T586-S588 PolarHBondContact O-N 2.98Å; T586-I723 HydrophobicContact CG2-CG2 4.33Å; T586-L725 WeakPolarHBondContact OG1-CD2 3.45Å
587K63.8Low61.5Low119 Ų11973.7 Ų73.752%0.51742%0.415SS..  trans-80.1120178.6-64.3-167.4178-177.10111.5S589 K724 S726K587-S589 PolarHBondContact O-N 3.28Å; K587-K724 PolarHBondContact N-O 2.99Å; K587-S726 WeakPolarHBondContact CE-OG 3.46Å; K587-S726 WeakPolarHBondContact CG-OG 3.48Å
588S51.5Low58.6Low90 Ų9079.9 Ų79.963%0.62945%0.448SS*.  trans-72.9107170.1-69.50000111.4T586 I590T586-S588 PolarHBondContact O-N 2.98Å; S588-I590 PolarHBondContact O-N 2.87Å
589S34.3Very low55.7Low92 Ų9286.4 Ų86.464%0.64348%0.483SS*.  trans-82.384.5179.8-63.70000112.2K587K587-S589 PolarHBondContact O-N 3.28Å
590I30.7Very low52.9Low144 Ų14493.9 Ų93.974%0.73852%0.523SS*.  trans-125.9109.9173.8-57179.7000111S588S588-I590 PolarHBondContact O-N 2.87Å
591S26.5Very low50Low103 Ų10399.9 Ų99.972%0.7256%0.56SS**  trans-145.6108.6168.558.20000110.6
592H26.9Very low47.3Very low178 Ų178102.6 Ų102.682%0.82458%0.579SS**  trans42.6103157-70.9-101.7000116.9
593E28.5Very low44.5Very low182 Ų182107.9 Ų107.985%0.8561%0.606SS**  -178.2177.682.5-101.5175.3-175.400114.3
594S29Very low41.9Very low113 Ų113109.8 Ų109.879%0.7962%0.618SS**  trans5685.2160.5580000121.4
595I28.4Very low39.6Very low163 Ų163113.9 Ų113.984%0.83664%0.64SS**  trans-6.2125.9137.6-57.3158.5000117.2
596S31.4Very low37.5Very low116 Ų116118.3 Ų118.381%0.81166%0.663SS**  -175.9157.5121.345.20000114
597N30.3Very low34.9Very low142 Ų142118.6 Ų118.676%0.75968%0.675SS**  trans-75140.8-164.9-48.1-28.4000114.3
598N32.2Very low33.5Very low129 Ų129114.3 Ų114.369%0.6966%0.657SS**  176.3148.9109.1-89.4-14.2000112.7
599N33Very low32.4Very low137 Ų137116.8 Ų116.873%0.73366%0.66SS**  trans-56.5147.5-173.2-50.1-25.1000114
600D34Very low32.2Very low158 Ų158124 Ų12485%0.84567%0.673SS**  -175137.9108.5-86.5-15.5000111.7
601T29.4Very low32Very low126 Ų126126.2 Ų126.277%0.77367%0.672SS**  trans-71.9131.4-154.244.50000119.8
602S37.6Very low32Very low58 Ų58127.6 Ų127.641%0.40667%0.665SS.*  76.4176.7128.793.40000119.3D605 K695S602-D605 WeakPolarHBondContact CA-OD2 3.29Å; S602-K695 PolarHBondContact O-NZ 2.76Å
603I32.3Very low32.1Very low112 Ų112126.8 Ų126.857%0.57466%0.662SS**SBendcis-123.614.318.2-157.2161.2000115.4I606I603-I606 WeakPolarHBondContact O-CD1 3.18Å
604T36Very low32Very low68 Ų68126.6 Ų126.642%0.41766%0.659SS.*  trans-135.448.7171.242.10000112.5I606T604-I606 PolarHBondContact O-N 3.38Å
605D41.9Very low31.9Very low116 Ų116124.2 Ų124.262%0.6265%0.652SS**THydrogen-bonded Turntrans-61.29163-30.6-101.6000113.5S602S602-D605 WeakPolarHBondContact CA-OD2 3.29Å
606I45.6Very low31.9Very low98 Ų98124.6 Ų124.650%0.50365%0.654SS.*THydrogen-bonded Turntrans-114.21.7-136.6-68.9171.4000111.4I603 T604 L608I603-I606 WeakPolarHBondContact O-CD1 3.18Å; T604-I606 PolarHBondContact O-N 3.38Å; I606-L608 PolarHBondContact O-N 3.18Å
607G29.9Very low31.7Very low47 Ų47126.7 Ų126.749%0.48565%0.651SS.*SBendtrans-66.252.3167.100000114.5
608L33.5Very low31.5Very low29 Ų29126.3 Ų126.315%0.15265%0.649CS.*SBendtrans72.833.8159.9-54.5108.2000118.6E543 I606 M668E543-L608 HydrophobicContact CG-CD2 4.09Å; E543-L608 WeakPolarHBondContact OE1-CD2 3.4Å; I606-L608 PolarHBondContact O-N 3.18Å; L608-M668 HydrophobicContact CB-CB 3.83Å; L608-M668 HydrophobicContact CB-CE 4.34Å; L608-M668 HydrophobicContact CB-CG 4.18Å; L608-M668 HydrophobicContact CB-SD 3.92Å; L608-M668 HydrophobicContact CD1-CG 4.04Å; L608-M668 HydrophobicContact CD1-SD 3.61Å; L608-M668 HydrophobicContact CD2-CB 3.91Å; L608-M668 HydrophobicContact CD2-CG 4.07Å; L608-M668 HydrophobicContact CG-CB 4.31Å; L608-M668 HydrophobicContact CG-CG 4.32Å; L608-M668 HydrophobicContact CG-SD 4.23Å
609M28.5Very low31.3Very low141 Ų141126.2 Ų126.270%0.69565%0.648SS**  trans-128.371.6173.4-96.6-72.4158.700115.6
610R30.1Very low31.1Very low243 Ų243128 Ų12892%0.91766%0.655SS**  trans155.6101.2139.7-87.1166.7179.7-174.11.1112.7
611R26.5Very low30.9Very low191 Ų191127.7 Ų127.772%0.72165%0.649SS**  trans-126.988.6172.1-171-177.3-175168.61.7112.2S666R611-S666 WeakPolarHBondContact CB-OG 3.36Å
612K27.5Very low30.9Very low132 Ų132126.7 Ų126.757%0.57465%0.647SS**  trans163.5149150.8-96.6164.7177.9-178.20111.2S664K612-S664 WeakPolarHBondContact CE-O 3.45Å; K612-S664 PolarHBondContact NZ-O 3.49Å; K612-S664 PolarHBondContact NZ-OG 2.95Å
613Q27.9Very low30.7Very low161 Ų161129.8 Ų129.875%0.75266%0.659SS**  trans61.3127.8163.3-77.9170.6-2300116.2
614F27.7Very low30.8Very low178 Ų178131.6 Ų131.678%0.78166%0.663SS**  cis-136.3166-3.5-76.4-92.7000106.9
615G25.5Very low30.6Very low63 Ų63136 Ų13665%0.64968%0.678SS**  cis97.861.78.400000114
616I29.8Very low30.1Very low172 Ų172136.9 Ų136.988%0.88268%0.682SS**  trans-154146.2161-107.4150.8000111.6
617H25.8Very low29.3Very low159 Ų159140.4 Ų140.474%0.73669%0.693SS**  trans-92.4166-175.4-137.6-100.2000111.3
618N26.5Very low29.4Very low134 Ų134144 Ų14472%0.71771%0.706SS**  trans72.7157.2167.7-40.5-38.8000115
619L28Very low29.2Very low128 Ų128147.5 Ų147.567%0.6773%0.733SS**  cis-145.9130.74-167.171.8000110.5Q621L619-Q621 HydrophobicContact CG-CB 4.44Å
620I28.3Very low29.3Very low173 Ų173146.3 Ų146.389%0.88773%0.734SS**  trans-128.1127.4154.6-63-179.3000106.3
621Q29.7Very low29.2Very low153 Ų153142.2 Ų142.272%0.71573%0.729SS**  trans-149.3147-177-159.8173.917.200109.1L619L619-Q621 HydrophobicContact CG-CB 4.44Å
622S31.2Very low29.3Very low104 Ų104139.7 Ų139.773%0.72773%0.728SS**  trans68.3136.5-168.880.30000114.2
623D32.7Very low29.5Very low123 Ų123140.6 Ų140.666%0.65874%0.74SS**  cis-158.5157.5-4.6-134.212.7000113.6
624K34.3Very low29.6Very low151 Ų151138.3 Ų138.366%0.65774%0.741SS**  trans69.9110.8155.7-70.5164-178126.50118.3
625E31.2Very low29.8Very low159 Ų159135.2 Ų135.274%0.74374%0.739SS**  83.4120.394.8-79.2-174.3127.500112.3
626I31.3Very low30.1Very low136 Ų136137.3 Ų137.370%0.69774%0.744SS**  cis-150.614739.1-90.7125.6000113
627K30.5Very low30Very low171 Ų171136.9 Ų136.974%0.74374%0.738SS**  trans5.9146.1145.9-49.8162.9-171.9167.40118.2
628T30Very low30.2Very low124 Ų124135.7 Ų135.776%0.76174%0.742SS**  cis-166.6155.929.6-14.60000112.5
629S29.8Very low30.2Very low101 Ų101135 Ų13571%0.70674%0.743SS**  trans20.3150.1141.1-58.20000122.5
630T31.3Very low30.3Very low117 Ų117136.4 Ų136.472%0.71875%0.75SS**  cis-168.4131.33.516.50000107.3
631L27.4Very low30.4Very low156 Ų156133.9 Ų133.982%0.81775%0.746SS**  73.713991.6-119.4175.2000116.3
632I30.1Very low30.9Very low138 Ų138131.3 Ų131.371%0.70874%0.743SS**  trans112.9115.4155.4-62.7163.2000119.2
633N30.7Very low31.2Very low151 Ų151131.8 Ų131.881%0.80774%0.744SS**  trans73.1120151.9-65.91.3000125
634S29Very low31.3Very low113 Ų113133.3 Ų133.379%0.7975%0.747SS**  trans-86.2166.1150.4-37.30000111.7
635P33Very low31.3Very low113 Ų113131.2 Ų131.273%0.73475%0.751SS**  -134.5148.2109.612.59.9000112.4
636S31.8Very low31.5Very low108 Ų108130.5 Ų130.576%0.75575%0.752SS**  61.7145.685.6-48.40000114.7
637E28.5Very low31.6Very low162 Ų162129.5 Ų129.576%0.75775%0.753SS**  cis173.3130.2-11.9165.9177.8-160.400107.3
638V29.6Very low31.8Very low135 Ų135126.7 Ų126.782%0.81876%0.755SS**  trans-149.2122.8158.4-1750000109.7
639T26.5Very low31.8Very low119 Ų119129.2 Ų129.273%0.7376%0.763SS**  trans-127136.3173-61.20000108.9
640L29Very low32Very low157 Ų157127.8 Ų127.882%0.82276%0.764SS**  trans-139.987.8173.6-83177.5000113.7
641C30.6Very low31.9Very low120 Ų120130 Ų13081%0.81177%0.772SS**  trans-128.8136.4142.7-61.50000106.8
642P39.5Very low32.3Very low100 Ų100128.9 Ų128.965%0.64977%0.771SS**  -150.9-158.2126.541.3-23.3000110.3
643P38.6Very low32.5Very low113 Ų113131 Ų13173%0.73478%0.778SS**  cis-130.3-158.3-6.736.6-15.1000113.7
644E34.4Very low32.7Very low156 Ų156128.7 Ų128.773%0.72977%0.773SS**  -159.7135.7-74.2-97.9160.9-89.700110.7
645S35.1Very low33.1Very low107 Ų107127.6 Ų127.675%0.74877%0.766SS**  trans-175.4113.6154.140.10000110.4
646N35Very low33.3Very low143 Ų143127.8 Ų127.877%0.76577%0.769SS**  77.1132.980.6-66.8-26.7000112.9
647T34.1Very low33.6Very low115 Ų115128 Ų12871%0.70677%0.768SS**  cis-166.2147.19.75.30000112.3
648S33.8Very low33.8Very low112 Ų112129.4 Ų129.478%0.78378%0.775SS**  trans52.6164.8146.1640000122.7
649L31.2Very low33.8Very low178 Ų178130.4 Ų130.493%0.93278%0.776SS**  cis-179.4141.8-37.3-166.781.4000106.9
650G33.4Very low34.1Very low71 Ų71133.9 Ų133.973%0.73278%0.784SS**  trans158.1118.5164.400000117.3
651N27.8Very low34.1Very low164 Ų164135.6 Ų135.688%0.87779%0.787SS**  trans-118.8136.9175.7-68.6-9.5000111.8
652V36.7Very low34Very low132 Ų132135.3 Ų135.380%0.879%0.787SS**  trans-157.2120.7151.9-151.80000104
653E34.2Very low33.5Very low183 Ų183140.2 Ų140.286%0.85580%0.798SS**  53.2133.772.8-72.2-173.3-95.100113.9
654S35.2Very low32.9Very low101 Ų101139.3 Ų139.371%0.70679%0.794SS**  cis-157.4-171.9-3.573.80000108.8
655S36.9Very low32.6Very low91 Ų91136.2 Ų136.264%0.63679%0.789SS**  cis-171.1144.2-0.628.10000111
656S37.3Very low32.3Very low116 Ų116133.4 Ų133.481%0.81177%0.769SS**  trans72.6167.1151.184.50000118.4
657P38.2Very low32.7Very low112 Ų112137.9 Ų137.973%0.72778%0.775SS**  -140.3159.4-90.838.2-19.3000116.5
658E33.1Very low33.4Very low192 Ų192136.6 Ų136.690%0.89776%0.762SS**  trans-162.3161.6143.3-118.8165-148.700112.8
659N29.5Very low34.6Very low157 Ų157133.6 Ų133.684%0.8474%0.742SS**  trans-80.7133.5-159.1-51.2-77.5000115.1
660E33.4Very low36.8Very low192 Ų192128.8 Ų128.890%0.89772%0.723SS**  trans-175.464.4148-103.4-73.3141.800110.7
661E28.9Very low39.4Very low192 Ų192126.9 Ų126.990%0.89770%0.696SS**  trans-123112.4172.9-79.4-153133.100112.4
662S28.1Very low42.3Very low114 Ų114124.6 Ų124.680%0.79768%0.683SS**  trans172.366.8146.543.40000115.4
663K28.6Very low44.9Very low204 Ų204119.2 Ų119.289%0.88765%0.649SS**  trans-158.834.7166.2-115.5148.7-166.1171.60119.5C665K663-C665 VanDerWaalsContact C-N 3.25Å; K663-C665 PolarHBondContact O-N 3.27Å
664S27.2Very low47.7Very low94 Ų94116.5 Ų116.566%0.65764%0.636SS**  trans-70.176.7166.249.80000112.2K612K612-S664 WeakPolarHBondContact CE-O 3.45Å; K612-S664 PolarHBondContact NZ-O 3.49Å; K612-S664 PolarHBondContact NZ-OG 2.95Å
665C26.2Very low50.5Low91 Ų91111.8 Ų111.862%0.61560%0.603SS**  trans-78144.1169.6-165.80000109.9K663 R667K663-C665 VanDerWaalsContact C-N 3.25Å; K663-C665 PolarHBondContact O-N 3.27Å; C665-R667 PolarHBondContact O-N 3.44Å
666S30Very low53.2Low48 Ų48107.9 Ų107.934%0.33658%0.575SS.*  trans-68.499.1178.354.30000110.7R611R611-S666 WeakPolarHBondContact CB-OG 3.36Å
667R42.6Very low56Low236 Ų236102.5 Ų102.589%0.89154%0.537SS*.  trans-74.3123.5167.1-74.5-177.3172.7169-2108.9C665C665-R667 PolarHBondContact O-N 3.44Å
668M50.4Low58.8Low88 Ų8897.1 Ų97.143%0.43350%0.502SS..  trans-57.8136.4165.1171.6162.640.600110L608 S670L608-M668 HydrophobicContact CB-CB 3.83Å; L608-M668 HydrophobicContact CB-CE 4.34Å; L608-M668 HydrophobicContact CB-CG 4.18Å; L608-M668 HydrophobicContact CB-SD 3.92Å; L608-M668 HydrophobicContact CD1-CG 4.04Å; L608-M668 HydrophobicContact CD1-SD 3.61Å; L608-M668 HydrophobicContact CD2-CB 3.91Å; L608-M668 HydrophobicContact CD2-CG 4.07Å; L608-M668 HydrophobicContact CG-CB 4.31Å; L608-M668 HydrophobicContact CG-CG 4.32Å; L608-M668 HydrophobicContact CG-SD 4.23Å; M668-S670 PolarHBondContact O-N 2.83Å
669S58.6Low61.9Low50 Ų5088 Ų8835%0.3546%0.46SS..  trans-66.395.5175-56.40000110.3A546A546-S669 VanDerWaalsContact CB-O 3.23Å; A546-S669 WeakPolarHBondContact CB-O 3.43Å
670S77Confident65.1Low77 Ų7780.5 Ų80.554%0.53842%0.42SS..  trans-72.2153.8171.550.80000111.4N550 M668N550-S670 PolarHBondContact ND2-O 3.29Å; M668-S670 PolarHBondContact O-N 2.83Å
671I87.8Confident68.1Low31 Ų3171.4 Ų71.416%0.15938%0.377CS..  trans-71.5129.8167.2-57.3176.1000108.8L549 N550 L584 L585 F673L549-I671 HydrophobicContact CD1-CD1 3.89Å; L549-I671 HydrophobicContact CD1-CG1 4.24Å; N550-I671 WeakPolarHBondContact OD1-CA 3.08Å; L584-I671 HydrophobicContact CD2-CD1 3.89Å; L584-I671 HydrophobicContact CD2-CG1 3.92Å; L584-I671 HydrophobicContact CG-CD1 3.97Å; L584-I671 HydrophobicContact CG-CG1 4.03Å; L585-I671 HydrophobicContact CD2-CD1 3.91Å; I671-F673 HydrophobicContact CG2-CD1 3.61Å; I671-F673 HydrophobicContact CG2-CD2 3.77Å; I671-F673 HydrophobicContact CG2-CE1 3.37Å; I671-F673 HydrophobicContact CG2-CE2 3.53Å; I671-F673 HydrophobicContact CG2-CG 3.81Å; I671-F673 HydrophobicContact CG2-CZ 3.33Å; I671-F673 PolarHBondContact O-N 2.86Å
672D88.7Confident71Confident115 Ų11562.4 Ų62.462%0.61534%0.336SS*.SBendtrans-80.810.2-173.4-68.1-32.4000114.1N550N550-D672 HydrophobicContact CB-CB 4.49Å; N550-D672 WeakPolarHBondContact CB-OD2 3.41Å; N550-D672 VanDerWaalsContact CG-OD2 3.24Å; N550-D672 PolarHBondContact ND2-OD1 2.69Å; N550-D672 PolarHBondContact ND2-OD2 2.76Å; N550-D672 PolarHBondContact OD1-N 2.88Å
673F92Very high74Confident20 Ų2057 Ų579%0.08830%0.298CS..SBendtrans-146.5148.7-175.654.4-92000112.3L440 L549 Y553 V569 L571 I671 V675L440-F673 HydrophobicContact CD1-CE1 4.19Å; L440-F673 HydrophobicContact CD1-CE2 3.88Å; L440-F673 HydrophobicContact CD1-CZ 3.4Å; L440-F673 VanDerWaalsContact CD1-CZ 3.4Å; L549-F673 HydrophobicContact CB-CE1 4.41Å; L549-F673 HydrophobicContact CB-CZ 4.21Å; L549-F673 HydrophobicContact CD2-CZ 4.32Å; Y553-F673 HydrophobicContact CD1-CB 4.18Å; Y553-F673 AromaticContact CD1-CD1 3.43Å; Y553-F673 HydrophobicContact CD1-CD1 3.43Å; Y553-F673 VanDerWaalsContact CD1-CD1 3.43Å; Y553-F673 HydrophobicContact CD1-CE1 4.14Å; Y553-F673 HydrophobicContact CD1-CG 4.09Å; Y553-F673 AromaticContact CD2-CD1 3.89Å; Y553-F673 HydrophobicContact CD2-CD1 3.89Å; Y553-F673 HydrophobicContact CD2-CE1 4.24Å; Y553-F673 HydrophobicContact CD2-CG 4.11Å; Y553-F673 HydrophobicContact CE1-CB 3.75Å; Y553-F673 AromaticContact CE1-CD1 3.93Å; Y553-F673 HydrophobicContact CE1-CD1 3.93Å; Y553-F673 HydrophobicContact CE1-CG 4.16Å; Y553-F673 HydrophobicContact CE2-CB 4.15Å; Y553-F673 HydrophobicContact CE2-CD1 4.36Å; Y553-F673 HydrophobicContact CE2-CG 4.2Å; Y553-F673 AromaticContact CG-CD1 3.4Å; Y553-F673 HydrophobicContact CG-CD1 3.4Å; Y553-F673 AromaticContact CG-CE1 3.72Å; Y553-F673 HydrophobicContact CG-CE1 3.72Å; Y553-F673 HydrophobicContact CG-CG 4.06Å; V569-F673 HydrophobicContact CB-CD2 4.09Å; V569-F673 HydrophobicContact CB-CE2 4.46Å; V569-F673 HydrophobicContact CG1-CD2 3.75Å; V569-F673 HydrophobicContact CG1-CE2 3.64Å; V569-F673 HydrophobicContact CG2-CD2 4.19Å; L571-F673 HydrophobicContact CD2-CE2 4.37Å; I671-F673 HydrophobicContact CG2-CD1 3.61Å; I671-F673 HydrophobicContact CG2-CD2 3.77Å; I671-F673 HydrophobicContact CG2-CE1 3.37Å; I671-F673 HydrophobicContact CG2-CE2 3.53Å; I671-F673 HydrophobicContact CG2-CG 3.81Å; I671-F673 HydrophobicContact CG2-CZ 3.33Å; I671-F673 PolarHBondContact O-N 2.86Å; F673-V675 HydrophobicContact CD2-CG2 4.21Å; F673-V675 HydrophobicContact CE2-CG2 3.97Å
674Q92Very high77Confident125 Ų12547.4 Ų47.458%0.58426%0.256SS*.  trans-77.5123.9175.3-174.8-172.7-11.600110.6Q676 D728Q674-Q676 PolarHBondContact O-NE2 3.26Å; Q674-D728 PolarHBondContact NE2-OD1 2.86Å; Q674-D728 PolarHBondContact NE2-OD2 3.42Å
675V94Very high80Confident2 Ų242.9 Ų42.91%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-84.5127.3171.3176.30000109.4L571 L585 F673 N677 F678 V727L571-V675 HydrophobicContact CB-CG1 4.28Å; L571-V675 HydrophobicContact CD1-CG1 4.12Å; L571-V675 HydrophobicContact CD1-CG2 3.64Å; L571-V675 HydrophobicContact CD2-CG2 4.35Å; L571-V675 HydrophobicContact CG-CB 4.43Å; L571-V675 HydrophobicContact CG-CG1 3.78Å; L571-V675 HydrophobicContact CG-CG2 3.72Å; L585-V675 HydrophobicContact CD2-CB 4.47Å; L585-V675 HydrophobicContact CD2-CG2 4.18Å; F673-V675 HydrophobicContact CD2-CG2 4.21Å; F673-V675 HydrophobicContact CE2-CG2 3.97Å; V675-N677 WeakPolarHBondContact CG1-O 3.33Å; V675-F678 HydrophobicContact CG1-CB 4.46Å; V675-V727 HydrophobicContact CB-CG1 4.14Å; V675-V727 HydrophobicContact CG1-CG1 3.84Å; V675-V727 WeakPolarHBondContact O-CA 3.45Å
676Q94.6Very high83Confident9 Ų938.7 Ų38.74%0.04220%0.197CC..EExtended strand (participates in β ladder)trans-83.7-65.2175-76.861.183.600110.1K568 V569 Q674 D728 Q729 T894K568-Q676 HydrophobicContact CB-CG 4.17Å; K568-Q676 HydrophobicContact CD-CG 3.84Å; K568-Q676 HydrophobicContact CG-CG 4.34Å; V569-Q676 PolarHBondContact O-N 3.03Å; V569-Q676 PolarHBondContact O-OE1 3.05Å; Q674-Q676 PolarHBondContact O-NE2 3.26Å; Q676-D728 WeakPolarHBondContact CG-OD2 3.39Å; Q676-D728 WeakPolarHBondContact O-CA 3.4Å; Q676-D728 WeakPolarHBondContact O-CB 3.4Å; Q676-D728 PolarHBondContact O-N 2.83Å; Q676-Q729 PolarHBondContact O-N 3.08Å; Q676-T894 HydrophobicContact CB-CG2 3.67Å; Q676-T894 HydrophobicContact CG-CG2 3.8Å
677N96Very high85.8Confident3 Ų338.2 Ų38.22%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-108.3137.6179.8-60-66.7000110.6C570 L571 V675 F679 Q729 Y731 T894C570-N677 CarbonylContact C-O 3.47Å; C570-N677 WeakPolarHBondContact CA-O 3.37Å; C570-N677 HydrophobicContact CB-CB 4.35Å; L571-N677 PolarHBondContact N-O 2.86Å; V675-N677 WeakPolarHBondContact CG1-O 3.33Å; N677-F679 HydrophobicContact CB-CD2 4.23Å; N677-F679 HydrophobicContact CB-CE2 3.47Å; N677-F679 VanDerWaalsContact CB-CE2 3.47Å; N677-F679 HydrophobicContact CB-CZ 3.73Å; N677-Q729 WeakPolarHBondContact CA-O 3.49Å; N677-Y731 HydrophobicContact CB-CE2 3.94Å; N677-Y731 VanDerWaalsContact OD1-CE2 3.29Å; N677-Y731 WeakPolarHBondContact OD1-CE2 3.26Å; N677-Y731 PolarHBondContact OD1-OH 2.87Å; N677-T894 PolarHBondContact ND2-OG1 3.16Å
678F97.1Very high87.9Confident0 Ų027 Ų270%015%0.148CC..EExtended strand (participates in β ladder)trans-120.3116.1168.4173.5-140.5000109.8L571 A573 A581 H582 L585 V675 M680 L725 V727 Q729 A730 Y731L571-F678 HydrophobicContact CB-CD2 3.87Å; L571-F678 WeakPolarHBondContact O-CA 3.39Å; A573-F678 HydrophobicContact CB-CE2 3.83Å; A581-F678 HydrophobicContact CB-CE2 3.71Å; A581-F678 HydrophobicContact CB-CZ 3.63Å; H582-F678 HydrophobicContact CB-CE1 4.46Å; L585-F678 HydrophobicContact CD1-CB 4.4Å; L585-F678 HydrophobicContact CD1-CD1 3.71Å; L585-F678 HydrophobicContact CD1-CD2 4.35Å; L585-F678 HydrophobicContact CD1-CE1 3.97Å; L585-F678 HydrophobicContact CD1-CG 3.92Å; L585-F678 HydrophobicContact CD1-CZ 4.39Å; V675-F678 HydrophobicContact CG1-CB 4.46Å; F678-M680 HydrophobicContact CD1-CG 4.17Å; F678-M680 HydrophobicContact CD1-SD 4.23Å; F678-M680 HydrophobicContact CD2-CG 4.41Å; F678-M680 HydrophobicContact CE1-CE 4.43Å; F678-M680 HydrophobicContact CE1-CG 3.56Å; F678-M680 HydrophobicContact CE1-SD 3.57Å; F678-M680 VanDerWaalsContact CE1-SD 3.57Å; F678-M680 HydrophobicContact CE2-CG 3.84Å; F678-M680 HydrophobicContact CZ-CG 3.37Å; F678-M680 HydrophobicContact CZ-SD 3.95Å; F678-L725 HydrophobicContact CD1-CD1 4.15Å; F678-L725 HydrophobicContact CE1-CD1 4.4Å; F678-V727 HydrophobicContact CB-CG1 3.9Å; F678-Q729 PolarHBondContact N-O 3.02Å; F678-A730 CarbonylContact O-C 3.48Å; F678-A730 WeakPolarHBondContact O-CA 3.48Å; F678-Y731 PolarHBondContact O-N 3.13Å
679F97.7Very high89.6Confident0 Ų023.1 Ų23.10%013%0.129CC..EExtended strand (participates in β ladder)trans-105.5119.6177.5-54.2-89.6000109.3C570 L571 V572 A573 N677 Y731 L733 F886 I887 Q890C570-F679 HydrophobicContact CB-CE2 4.31Å; L571-F679 PolarHBondContact O-N 2.94Å; V572-F679 CarbonylContact C-O 3.49Å; V572-F679 WeakPolarHBondContact CA-O 3.38Å; V572-F679 HydrophobicContact CG2-CB 4.19Å; V572-F679 HydrophobicContact CG2-CD2 3.83Å; V572-F679 HydrophobicContact CG2-CG 4.37Å; A573-F679 PolarHBondContact N-O 3.31Å; N677-F679 HydrophobicContact CB-CD2 4.23Å; N677-F679 HydrophobicContact CB-CE2 3.47Å; N677-F679 VanDerWaalsContact CB-CE2 3.47Å; N677-F679 HydrophobicContact CB-CZ 3.73Å; F679-Y731 WeakPolarHBondContact CA-O 3.39Å; F679-Y731 AromaticContact CD1-CD2 3.52Å; F679-Y731 HydrophobicContact CD1-CD2 3.52Å; F679-Y731 HydrophobicContact CD1-CE2 4.25Å; F679-Y731 AromaticContact CD1-CG 3.79Å; F679-Y731 HydrophobicContact CD1-CG 3.79Å; F679-Y731 HydrophobicContact CE1-CD1 4.4Å; F679-Y731 AromaticContact CE1-CD2 3.35Å; F679-Y731 HydrophobicContact CE1-CD2 3.35Å; F679-Y731 AromaticContact CE1-CE2 3.62Å; F679-Y731 HydrophobicContact CE1-CE2 3.62Å; F679-Y731 AromaticContact CE1-CG 3.79Å; F679-Y731 HydrophobicContact CE1-CG 3.79Å; F679-Y731 HydrophobicContact CG-CD2 4.26Å; F679-Y731 AromaticContact CZ-CD2 3.99Å; F679-Y731 HydrophobicContact CZ-CD2 3.99Å; F679-Y731 AromaticContact CZ-CE2 3.9Å; F679-Y731 HydrophobicContact CZ-CE2 3.9Å; F679-L733 HydrophobicContact CD1-CD1 4.2Å; F679-F886 HydrophobicContact CD1-CE1 4.41Å; F679-F886 HydrophobicContact CE1-CD1 4.42Å; F679-F886 HydrophobicContact CE1-CE1 4.12Å; F679-I887 HydrophobicContact CD1-CG1 3.86Å; F679-I887 HydrophobicContact CD2-CG1 4.4Å; F679-I887 HydrophobicContact CE1-CB 4.48Å; F679-I887 HydrophobicContact CE1-CG1 3.92Å; F679-I887 HydrophobicContact CE2-CG1 4.44Å; F679-I887 HydrophobicContact CE2-CG2 4.07Å; F679-I887 HydrophobicContact CG-CD1 4.45Å; F679-I887 HydrophobicContact CG-CG1 4.12Å; F679-I887 HydrophobicContact CZ-CB 4.4Å; F679-I887 HydrophobicContact CZ-CG1 4.21Å; F679-I887 HydrophobicContact CZ-CG2 4.15Å; F679-Q890 HydrophobicContact CE1-CB 4.1Å; F679-Q890 HydrophobicContact CE1-CG 4.04Å; F679-Q890 HydrophobicContact CZ-CB 3.91Å; F679-Q890 HydrophobicContact CZ-CG 4.37Å
680M97.1Very high90.8Very high0 Ų022.4 Ų22.40%013%0.127CC..EExtended strand (participates in β ladder)trans-100.4130.3174.6-62.1163.3-71.600108.4S578 F678 I685 A730 Y731 N732 L733 I744 W846S578-M680 WeakPolarHBondContact OG-CA 3.21Å; S578-M680 WeakPolarHBondContact OG-CB 3.19Å; F678-M680 HydrophobicContact CD1-CG 4.17Å; F678-M680 HydrophobicContact CD1-SD 4.23Å; F678-M680 HydrophobicContact CD2-CG 4.41Å; F678-M680 HydrophobicContact CE1-CE 4.43Å; F678-M680 HydrophobicContact CE1-CG 3.56Å; F678-M680 HydrophobicContact CE1-SD 3.57Å; F678-M680 VanDerWaalsContact CE1-SD 3.57Å; F678-M680 HydrophobicContact CE2-CG 3.84Å; F678-M680 HydrophobicContact CZ-CG 3.37Å; F678-M680 HydrophobicContact CZ-SD 3.95Å; M680-I685 HydrophobicContact SD-CG2 3.99Å; M680-A730 HydrophobicContact CE-CB 4.28Å; M680-Y731 WeakPolarHBondContact CE-O 3.4Å; M680-Y731 PolarHBondContact N-O 3.18Å; M680-N732 HydrophobicContact CE-CB 4.04Å; M680-L733 PolarHBondContact O-N 3.28Å; M680-I744 HydrophobicContact CE-CD1 3.82Å; M680-I744 HydrophobicContact SD-CD1 4.26Å; M680-W846 HydrophobicContact CE-CE3 4.48Å; M680-W846 HydrophobicContact CE-CZ3 4.1Å
681L95.1Very high91Very high1 Ų121.5 Ų21.51%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-117.9118.5-175.3-50.4176.4000110.1V572 A573 D574 S575 S683 L733 Y877 W878 V883V572-L681 HydrophobicContact CG1-CD1 3.55Å; V572-L681 HydrophobicContact CG1-CG 4.17Å; A573-L681 WeakPolarHBondContact O-CB 3.26Å; A573-L681 WeakPolarHBondContact O-CG 3.2Å; A573-L681 PolarHBondContact O-N 2.82Å; D574-L681 CarbonylContact C-O 3.59Å; D574-L681 VanDerWaalsContact C-O 3.27Å; S575-L681 PolarHBondContact N-O 2.8Å; S575-L681 VanDerWaalsContact N-O 3.12Å; L681-S683 VanDerWaalsContact C-N 3.35Å; L681-S683 PolarHBondContact O-N 3.44Å; L681-L733 WeakPolarHBondContact CA-O 3.43Å; L681-L733 HydrophobicContact CD2-CB 3.93Å; L681-L733 HydrophobicContact CD2-CD2 4.02Å; L681-L733 HydrophobicContact CD2-CG 4.42Å; L681-Y877 HydrophobicContact CB-CD2 3.97Å; L681-Y877 HydrophobicContact CB-CE2 4.44Å; L681-Y877 HydrophobicContact CB-CG 4.07Å; L681-W878 HydrophobicContact CD1-CE3 4.37Å; L681-W878 HydrophobicContact CD1-CH2 4.24Å; L681-W878 HydrophobicContact CD1-CZ3 3.87Å; L681-V883 HydrophobicContact CD2-CG1 4.22Å
682G90.8Very high90.6Very high2 Ų223.6 Ų23.62%0.02112%0.118CC..SBendtrans59.141.4179.500000113.5S575 L733 Y877S575-G682 WeakPolarHBondContact CA-O 3.44Å; S575-G682 VanDerWaalsContact CB-O 3.23Å; S575-G682 WeakPolarHBondContact CB-O 3.42Å; S575-G682 PolarHBondContact OG-O 3.16Å; G682-L733 PolarHBondContact N-O 2.9Å; G682-Y877 WeakPolarHBondContact CA-OH 3.42Å
683S90.7Very high89.7Confident0 Ų020.8 Ų20.80%010%0.099CC..  trans-92.1134.5-166.1-171.60000114.2S578 L681 I685 C740 F742S578-S683 WeakPolarHBondContact CB-OG 3.48Å; L681-S683 VanDerWaalsContact C-N 3.35Å; L681-S683 PolarHBondContact O-N 3.44Å; S683-I685 PolarHBondContact O-N 2.86Å; S683-I685 WeakPolarHBondContact OG-CB 3.14Å; S683-I685 WeakPolarHBondContact OG-CG2 3.18Å; S683-I685 PolarHBondContact OG-N 3.47Å; S683-C740 CarbonylContact C-O 3.57Å; S683-F742 PolarHBondContact O-N 3.33Å; S683-F742 VanDerWaalsContact O-N 3.15Å
684P90.7Very high88.7Confident3 Ų323.9 Ų23.92%0.01911%0.114CC..THydrogen-bonded Turntrans-82.212.2172.336.5-37000112.9I447 P529 S575 I579 G686 L687 I688 C740 F742I447-P684 HydrophobicContact CD1-CG 4.23Å; P529-P684 HydrophobicContact CB-CB 4.11Å; P529-P684 HydrophobicContact CB-CG 3.91Å; P529-P684 HydrophobicContact CG-CB 3.97Å; P529-P684 HydrophobicContact CG-CG 4.25Å; S575-P684 WeakPolarHBondContact O-CD 3.24Å; I579-P684 HydrophobicContact CD1-CG 3.71Å; I579-P684 HydrophobicContact CG1-CG 3.99Å; P684-G686 PolarHBondContact O-N 2.86Å; P684-L687 WeakPolarHBondContact O-CB 3.44Å; P684-L687 PolarHBondContact O-N 3.28Å; P684-I688 PolarHBondContact O-N 3.27Å; P684-C740 VanDerWaalsContact CA-O 3.3Å; P684-C740 WeakPolarHBondContact CA-O 3.5Å; P684-F742 HydrophobicContact CB-CD2 4.47Å
685I91.3Very high87.6Confident0 Ų022.3 Ų22.30%011%0.105CC..Hα-helixtrans-60.2-32-175.2-169.259.8000112.9H582 M680 S683 L687 I688 L689 I744H582-I685 HydrophobicContact CB-CD1 3.85Å; H582-I685 HydrophobicContact CB-CG1 4.18Å; H582-I685 VanDerWaalsContact CG-CD1 3.48Å; M680-I685 HydrophobicContact SD-CG2 3.99Å; S683-I685 PolarHBondContact O-N 2.86Å; S683-I685 WeakPolarHBondContact OG-CB 3.14Å; S683-I685 WeakPolarHBondContact OG-CG2 3.18Å; S683-I685 PolarHBondContact OG-N 3.47Å; I685-L687 VanDerWaalsContact C-N 3.33Å; I685-L687 PolarHBondContact O-N 2.98Å; I685-I688 HydrophobicContact CD1-CB 4.17Å; I685-I688 HydrophobicContact CD1-CD1 4.31Å; I685-I688 HydrophobicContact CD1-CG2 4.1Å; I685-I688 WeakPolarHBondContact O-CB 3.4Å; I685-I688 PolarHBondContact O-N 2.97Å; I685-L689 HydrophobicContact CG1-CD1 4.24Å; I685-L689 HydrophobicContact CG1-CG 4.36Å; I685-L689 WeakPolarHBondContact O-CB 3.4Å; I685-L689 VanDerWaalsContact O-CG 3.27Å; I685-L689 WeakPolarHBondContact O-CG 3.39Å; I685-L689 PolarHBondContact O-N 3.08Å; I685-I744 HydrophobicContact CG2-CD1 3.41Å; I685-I744 VanDerWaalsContact CG2-CD1 3.41Å; I685-I744 HydrophobicContact CG2-CG1 3.98Å
686G88.8Confident86.3Confident3 Ų326.1 Ų26.13%0.03112%0.122CC..Hα-helixtrans-59.4-40.1172.200000113P684 L689 A690 R743 L747P684-G686 PolarHBondContact O-N 2.86Å; G686-L689 PolarHBondContact O-N 3.25Å; G686-A690 WeakPolarHBondContact O-CB 3.43Å; G686-A690 PolarHBondContact O-N 3.14Å; G686-R743 WeakPolarHBondContact CA-O 3.4Å; G686-L747 WeakPolarHBondContact O-CD1 3.38Å
687L88.6Confident84.7Confident38 Ų3828.9 Ų28.920%0.19914%0.135CC..Hα-helixtrans-65.9-40.9175179.563.8000111.8G526 P529 L530 P684 I685 A690 Y691 F742G526-L687 VanDerWaalsContact CA-CD2 3.4Å; G526-L687 WeakPolarHBondContact O-CD2 3.39Å; P529-L687 HydrophobicContact CG-CD2 4.28Å; L530-L687 HydrophobicContact CD1-CD2 4.45Å; L530-L687 HydrophobicContact CD1-CG 4.44Å; P684-L687 WeakPolarHBondContact O-CB 3.44Å; P684-L687 PolarHBondContact O-N 3.28Å; I685-L687 VanDerWaalsContact C-N 3.33Å; I685-L687 PolarHBondContact O-N 2.98Å; L687-A690 PolarHBondContact O-N 3.06Å; L687-Y691 WeakPolarHBondContact O-CB 3.46Å; L687-Y691 PolarHBondContact O-N 3.1Å; L687-F742 HydrophobicContact CB-CD1 4.01Å; L687-F742 HydrophobicContact CB-CD2 4.03Å; L687-F742 HydrophobicContact CB-CE1 4.08Å; L687-F742 HydrophobicContact CB-CE2 4.1Å; L687-F742 HydrophobicContact CB-CG 3.99Å; L687-F742 HydrophobicContact CB-CZ 4.13Å; L687-F742 HydrophobicContact CD1-CE1 4.26Å; L687-F742 HydrophobicContact CD1-CZ 4.46Å; L687-F742 HydrophobicContact CD2-CE2 4.24Å; L687-F742 HydrophobicContact CD2-CZ 4.09Å; L687-F742 HydrophobicContact CG-CZ 4.46Å
688I87.4Confident82.9Confident0 Ų034.3 Ų34.30%016%0.163CC..Hα-helixtrans-63.3-42.9177.2-68.7170.3000111.1P529 L530 I533 I579 P684 I685 Y691 R692P529-I688 HydrophobicContact CB-CD1 4.16Å; P529-I688 HydrophobicContact CB-CG1 4.36Å; L530-I688 HydrophobicContact CD2-CG1 4.38Å; I533-I688 HydrophobicContact CD1-CB 4.44Å; I533-I688 HydrophobicContact CD1-CG1 4.21Å; I533-I688 HydrophobicContact CD1-CG2 3.8Å; I533-I688 HydrophobicContact CG2-CD1 3.85Å; I533-I688 HydrophobicContact CG2-CG1 4.36Å; I533-I688 HydrophobicContact CG2-CG2 4.38Å; I579-I688 HydrophobicContact CB-CD1 4.26Å; I579-I688 HydrophobicContact CD1-CD1 4.08Å; I579-I688 HydrophobicContact CG1-CD1 3.76Å; I579-I688 HydrophobicContact CG2-CD1 3.64Å; P684-I688 PolarHBondContact O-N 3.27Å; I685-I688 HydrophobicContact CD1-CB 4.17Å; I685-I688 HydrophobicContact CD1-CD1 4.31Å; I685-I688 HydrophobicContact CD1-CG2 4.1Å; I685-I688 WeakPolarHBondContact O-CB 3.4Å; I685-I688 PolarHBondContact O-N 2.97Å; I688-Y691 PolarHBondContact O-N 2.81Å; I688-R692 WeakPolarHBondContact O-CB 3.42Å; I688-R692 VanDerWaalsContact O-CG 3.32Å; I688-R692 WeakPolarHBondContact O-CG 3.49Å; I688-R692 PolarHBondContact O-N 3.37Å
689L86.3Confident81.1Confident6 Ų637.2 Ų37.23%0.03119%0.187CC..Hα-helixtrans-65.9-42.4176.4-69.2169.7000111.7I685 G686 R692 Y693 I723 I744 L747 W846I685-L689 HydrophobicContact CG1-CD1 4.24Å; I685-L689 HydrophobicContact CG1-CG 4.36Å; I685-L689 WeakPolarHBondContact O-CB 3.4Å; I685-L689 VanDerWaalsContact O-CG 3.27Å; I685-L689 WeakPolarHBondContact O-CG 3.39Å; I685-L689 PolarHBondContact O-N 3.08Å; G686-L689 PolarHBondContact O-N 3.25Å; L689-R692 PolarHBondContact O-N 3.03Å; L689-Y693 WeakPolarHBondContact O-CB 3.35Å; L689-Y693 PolarHBondContact O-N 3.06Å; L689-I723 HydrophobicContact CD2-CD1 3.54Å; L689-I723 HydrophobicContact CD2-CG2 4.12Å; L689-I744 HydrophobicContact CD1-CG2 3.99Å; L689-L747 HydrophobicContact CB-CD1 3.72Å; L689-W846 HydrophobicContact CD1-CH2 3.94Å; L689-W846 HydrophobicContact CD1-CZ2 4.36Å
690A83.6Confident79Confident36 Ų3640.5 Ų40.530%0.29821%0.211SC..Hα-helixtrans-63.4-40.8175.200000112.5G686 L687 Y693 Q694 L747G686-A690 WeakPolarHBondContact O-CB 3.43Å; G686-A690 PolarHBondContact O-N 3.14Å; L687-A690 PolarHBondContact O-N 3.06Å; A690-Y693 WeakPolarHBondContact O-CB 3.44Å; A690-Y693 PolarHBondContact O-N 3.08Å; A690-Q694 PolarHBondContact O-N 2.9Å; A690-L747 HydrophobicContact CB-CD1 4.34Å; A690-L747 HydrophobicContact CB-CD2 4.24Å
691Y80.9Confident76.8Confident57 Ų5745.2 Ų45.222%0.22424%0.243CC..Hα-helixtrans-63-46.1173.3169.7-105.2000112.2L530 I533 L687 I688 Y693 Q694 K695L530-Y691 HydrophobicContact CD2-CD1 3.79Å; L530-Y691 HydrophobicContact CD2-CD2 4.37Å; L530-Y691 HydrophobicContact CD2-CG 3.66Å; I533-Y691 HydrophobicContact CD1-CD1 4.13Å; I533-Y691 HydrophobicContact CD1-CE1 4.38Å; L687-Y691 WeakPolarHBondContact O-CB 3.46Å; L687-Y691 PolarHBondContact O-N 3.1Å; I688-Y691 PolarHBondContact O-N 2.81Å; Y691-Y693 VanDerWaalsContact C-N 3.29Å; Y691-Y693 PolarHBondContact O-N 2.82Å; Y691-Q694 PolarHBondContact O-N 2.95Å; Y691-K695 PolarHBondContact O-N 3Å
692R78.8Confident74.6Confident76 Ų7650.7 Ų50.729%0.28728%0.277SS..Hα-helixtrans-59.2-40.3175.7-74.5173.5177.9170.71.8111.6D583 I688 L689 H696D583-R692 IonicContact OD1-CZ 2.87Å; D583-R692 IonicContact OD1-NH1 3.53Å; D583-R692 PolarHBondContact OD1-NH1 2.79Å; D583-R692 IonicContact OD1-NH2 3.47Å; D583-R692 PolarHBondContact OD1-NH2 2.85Å; D583-R692 IonicContact OD2-CZ 3.64Å; D583-R692 IonicContact OD2-NH1 3.63Å; D583-R692 IonicContact OD2-NH2 4Å; D583-R692 PolarHBondContact OD2-NH2 2.68Å; I688-R692 WeakPolarHBondContact O-CB 3.42Å; I688-R692 VanDerWaalsContact O-CG 3.32Å; I688-R692 WeakPolarHBondContact O-CG 3.49Å; I688-R692 PolarHBondContact O-N 3.37Å; L689-R692 PolarHBondContact O-N 3.03Å; R692-H696 PolarHBondContact O-N 2.79Å; R692-H696 VanDerWaalsContact O-N 3.1Å
693Y70.9Confident72.5Confident56 Ų5657.8 Ų57.822%0.2231%0.307CS..Hα-helixtrans-60.4-50.4174.5-176-146.3000112.9L689 A690 Y691 K695 H696 Q697 M715 L719L689-Y693 WeakPolarHBondContact O-CB 3.35Å; L689-Y693 PolarHBondContact O-N 3.06Å; A690-Y693 WeakPolarHBondContact O-CB 3.44Å; A690-Y693 PolarHBondContact O-N 3.08Å; Y691-Y693 VanDerWaalsContact C-N 3.29Å; Y691-Y693 PolarHBondContact O-N 2.82Å; Y693-K695 PolarHBondContact O-N 2.76Å; Y693-H696 PolarHBondContact O-N 3.16Å; Y693-Q697 HydrophobicContact CD2-CG 4.32Å; Y693-Q697 VanDerWaalsContact CE1-NE2 3.31Å; Y693-Q697 HydrophobicContact CE2-CG 4.07Å; Y693-Q697 PolarHBondContact O-N 2.63Å; Y693-M715 PolarHBondContact OH-O 3.42Å; Y693-L719 HydrophobicContact CD1-CD1 4.11Å; Y693-L719 HydrophobicContact CD2-CD1 3.67Å; Y693-L719 HydrophobicContact CD2-CD2 4.24Å; Y693-L719 HydrophobicContact CD2-CG 3.57Å; Y693-L719 HydrophobicContact CE2-CD1 4.24Å; Y693-L719 HydrophobicContact CE2-CG 4.26Å; Y693-L719 HydrophobicContact CG-CD1 3.58Å; Y693-L719 HydrophobicContact CG-CD2 4.34Å; Y693-L719 HydrophobicContact CG-CG 3.91Å
694Q69.9Low69.9Low85 Ų8563.3 Ų63.340%0.39734%0.341SS..Hα-helixtrans-62-44.8-178.9-171.4179.34.800110.8A690 Y691 H696 Q697 L698A690-Q694 PolarHBondContact O-N 2.9Å; Y691-Q694 PolarHBondContact O-N 2.95Å; Q694-H696 VanDerWaalsContact C-N 3.3Å; Q694-H696 PolarHBondContact O-N 3.09Å; Q694-Q697 PolarHBondContact O-N 2.57Å; Q694-L698 HydrophobicContact CG-CD1 4.1Å; Q694-L698 PolarHBondContact O-N 3.22Å
695K68.5Low67.2Low92 Ų9269.2 Ų69.240%0.438%0.377SS..Hα-helixtrans-59.2-39.2176-170.5174.5179-178.90112.1S602 Y691 Y693 L698 A699S602-K695 PolarHBondContact O-NZ 2.76Å; Y691-K695 PolarHBondContact O-N 3Å; Y693-K695 PolarHBondContact O-N 2.76Å; K695-L698 PolarHBondContact O-N 2.91Å; K695-A699 WeakPolarHBondContact O-CB 3.31Å; K695-A699 PolarHBondContact O-N 2.86Å
696H66.9Low64.4Low82 Ų8276.3 Ų76.338%0.3842%0.416SS..Hα-helixtrans-69.3-35.2177.7-164.1-98.2000113.4R692 Y693 Q694 A699 S700R692-H696 PolarHBondContact O-N 2.79Å; R692-H696 VanDerWaalsContact O-N 3.1Å; Y693-H696 PolarHBondContact O-N 3.16Å; Q694-H696 VanDerWaalsContact C-N 3.3Å; Q694-H696 PolarHBondContact O-N 3.09Å; H696-A699 PolarHBondContact O-N 3.45Å; H696-S700 PolarHBondContact O-N 3.22Å; H696-S700 VanDerWaalsContact O-N 3.15Å; H696-S700 PolarHBondContact O-OG 2.87Å
697Q62.4Low61.7Low67 Ų6783.2 Ų83.231%0.31345%0.451SS..Hα-helixtrans-66.1-42.6173-73.4-176.977.300111.8Y693 Q694 A699 S700 S701Y693-Q697 HydrophobicContact CD2-CG 4.32Å; Y693-Q697 VanDerWaalsContact CE1-NE2 3.31Å; Y693-Q697 HydrophobicContact CE2-CG 4.07Å; Y693-Q697 PolarHBondContact O-N 2.63Å; Q694-Q697 PolarHBondContact O-N 2.57Å; Q697-A699 PolarHBondContact O-N 2.85Å; Q697-S700 PolarHBondContact O-N 2.78Å; Q697-S700 PolarHBondContact O-OG 3.22Å; Q697-S700 VanDerWaalsContact O-OG 3.12Å; Q697-S701 PolarHBondContact O-N 2.9Å; Q697-S701 VanDerWaalsContact O-N 3.16Å
698L57.9Low59Low116 Ų11689.8 Ų89.861%0.60748%0.484SS*.Hα-helixtrans-62-43.2174.7-86.2140.8000111.9Q694 K695 S700 S701Q694-L698 HydrophobicContact CG-CD1 4.1Å; Q694-L698 PolarHBondContact O-N 3.22Å; K695-L698 PolarHBondContact O-N 2.91Å; L698-S700 VanDerWaalsContact C-N 3.29Å; L698-S700 PolarHBondContact O-N 3.4Å; L698-S701 PolarHBondContact O-N 3.05Å
699A59.5Low56.5Low61 Ų6194.5 Ų94.550%0.50451%0.513SS..Hα-helixtrans-68.4-21.3179.300000114.8K695 H696 Q697 T702K695-A699 WeakPolarHBondContact O-CB 3.31Å; K695-A699 PolarHBondContact O-N 2.86Å; H696-A699 PolarHBondContact O-N 3.45Å; Q697-A699 PolarHBondContact O-N 2.85Å; A699-T702 PolarHBondContact O-OG1 2.98Å
700S53.9Low53.8Low70 Ų70102.2 Ų102.249%0.4956%0.555SS.*Hα-helixtrans-93.9-23.1177.845.30000113.6H696 Q697 L698 T702H696-S700 PolarHBondContact O-N 3.22Å; H696-S700 VanDerWaalsContact O-N 3.15Å; H696-S700 PolarHBondContact O-OG 2.87Å; Q697-S700 PolarHBondContact O-N 2.78Å; Q697-S700 PolarHBondContact O-OG 3.22Å; Q697-S700 VanDerWaalsContact O-OG 3.12Å; L698-S700 VanDerWaalsContact C-N 3.29Å; L698-S700 PolarHBondContact O-N 3.4Å; S700-T702 VanDerWaalsContact C-N 3.31Å; S700-T702 PolarHBondContact O-N 3.08Å
701S49.4Very low51.1Low98 Ų98105.8 Ų105.869%0.68558%0.577SS**Hα-helixtrans-66.8-27.2178.5-169.80000114Q697 L698 K703Q697-S701 PolarHBondContact O-N 2.9Å; Q697-S701 VanDerWaalsContact O-N 3.16Å; L698-S701 PolarHBondContact O-N 3.05Å; S701-K703 VanDerWaalsContact C-N 3.35Å; S701-K703 PolarHBondContact O-N 3.3Å
702T48.6Very low48.7Very low116 Ų116108 Ų10871%0.71260%0.601SS**THydrogen-bonded Turntrans-78.6-4.8-172.350.80000115.8A699 S700A699-T702 PolarHBondContact O-OG1 2.98Å; S700-T702 VanDerWaalsContact C-N 3.31Å; S700-T702 PolarHBondContact O-N 3.08Å
703K47.9Very low46.6Very low151 Ų151115.3 Ų115.366%0.65763%0.63SS**THydrogen-bonded Turntrans-107.3-2-172.1-75.9-173.2174178.70117S701S701-K703 VanDerWaalsContact C-N 3.35Å; S701-K703 PolarHBondContact O-N 3.3Å
704T36.6Very low45Very low117 Ų117119.1 Ų119.172%0.71865%0.654SS**  trans-138.683.7-179.3-43.10000113.9
705T32.6Very low43.5Very low126 Ų126121.2 Ų121.277%0.77367%0.666SS**  trans-72.5147.1158.146.60000110.9
706N32.9Very low42.4Very low150 Ų150119.8 Ų119.880%0.80267%0.665SS**SBendtrans69.478.7174.7-52.5-34.1000116.9
707L32.7Very low41.1Very low147 Ų147121.3 Ų121.377%0.7767%0.668SS**  trans-174.867.8141.3-103.6164.8000111.4T709L707-T709 PolarHBondContact O-N 2.85Å
708I32.5Very low40.4Very low176 Ų176123.5 Ų123.590%0.90368%0.678SS**  trans-8883.5176.4-55.8-179.7000109.5
709T34.2Very low40.1Very low99 Ų99119.1 Ų119.161%0.60766%0.655SS**SBendtrans-139.390.3173.253.40000111.5L707 S711L707-T709 PolarHBondContact O-N 2.85Å; T709-S711 PolarHBondContact O-N 3.43Å
710N28.3Very low39.6Very low169 Ų169117 Ų11790%0.90464%0.637SS**SBendtrans44.962.5156.1-60.5-1.8000119
711S28.8Very low39.5Very low110 Ų110120 Ų12077%0.76964%0.641SS**  trans-159.378.4162.355.10000114.6T709T709-S711 PolarHBondContact O-N 3.43Å
712S30.6Very low39.9Very low104 Ų104119.6 Ų119.673%0.72763%0.629SS**  trans-131.548.9-169.6-52.30000115.4
713Y34.1Very low40.8Very low229 Ų229115.4 Ų115.490%0.89860%0.601SS**  trans-120.36.9-178.1-70.7-70.4000116.1
714N36.2Very low42.1Very low136 Ų136112.6 Ų112.673%0.72759%0.589SS**  trans-99.518.6-178-85.6-26.6000114.7T716N714-T716 VanDerWaalsContact C-N 3.28Å; N714-T716 PolarHBondContact O-N 2.91Å; N714-T716 VanDerWaalsContact O-N 3.11Å
715M39.7Very low44.4Very low129 Ų129107.5 Ų107.564%0.63556%0.557SS**THydrogen-bonded Turntrans-70.2-13.9-159.2-150.2160.880.900116Y693Y693-M715 PolarHBondContact OH-O 3.42Å
716T44.2Very low47.1Very low63 Ų63103.6 Ų103.639%0.38754%0.536SS..THydrogen-bonded Turntrans-87.4-11-169.6-22.90000115.6N714 H718 N750N714-T716 VanDerWaalsContact C-N 3.28Å; N714-T716 PolarHBondContact O-N 2.91Å; N714-T716 VanDerWaalsContact O-N 3.11Å; T716-H718 PolarHBondContact O-N 3.5Å; T716-N750 HydrophobicContact CG2-CB 3.68Å
717Y40.3Very low49.8Very low113 Ų11397.5 Ų97.544%0.44350%0.503SS..SBendtrans-89.35.1-160.5-77.4-74000117.2
718H48.4Very low52.6Low113 Ų11393.9 Ų93.952%0.52349%0.485SS..SBendtrans-93-57.8-170.6-117.3-77.4000115.7T716 S720 K721 E722T716-H718 PolarHBondContact O-N 3.5Å; H718-S720 PolarHBondContact O-N 3.33Å; H718-K721 PolarHBondContact O-N 3.14Å; H718-E722 IonicContact CE1-OE1 3.43Å; H718-E722 IonicContact CG-OE1 2.83Å; H718-E722 IonicContact ND1-OE1 2.71Å; H718-E722 PolarHBondContact ND1-OE1 2.86Å
719L51.4Low55.5Low24 Ų2485.8 Ų85.813%0.12644%0.443CS..Hα-helixtrans-39.5-46174.9-85.1173.3000112.8Y693 K721 E722 I723Y693-L719 HydrophobicContact CD1-CD1 4.11Å; Y693-L719 HydrophobicContact CD2-CD1 3.67Å; Y693-L719 HydrophobicContact CD2-CD2 4.24Å; Y693-L719 HydrophobicContact CD2-CG 3.57Å; Y693-L719 HydrophobicContact CE2-CD1 4.24Å; Y693-L719 HydrophobicContact CE2-CG 4.26Å; Y693-L719 HydrophobicContact CG-CD1 3.58Å; Y693-L719 HydrophobicContact CG-CD2 4.34Å; Y693-L719 HydrophobicContact CG-CG 3.91Å; L719-K721 PolarHBondContact O-N 3.32Å; L719-E722 PolarHBondContact O-N 3.46Å; L719-I723 HydrophobicContact CD2-CD1 4.09Å; L719-I723 PolarHBondContact O-N 3.09Å
720S49.1Very low58.4Low18 Ų1881.1 Ų81.113%0.12641%0.414CS..Hα-helixtrans-72-16.6-162.278.30000112.3H718 S844H718-S720 PolarHBondContact O-N 3.33Å; S720-S844 WeakPolarHBondContact O-CA 3.37Å; S720-S844 WeakPolarHBondContact O-CB 3.38Å
721K51.8Low61.7Low133 Ų13373.1 Ų73.158%0.57837%0.372SS*.Hα-helixtrans-91.2-18.2173.1-69.1-178.6176.81770114.1H718 L719H718-K721 PolarHBondContact O-N 3.14Å; L719-K721 PolarHBondContact O-N 3.32Å
722E56.9Low64.9Low89 Ų8967.9 Ų67.942%0.41634%0.335SS..Hα-helixtrans-101.8-26.7-168.4-67.6166.7-146.900112.3H718 L719H718-E722 IonicContact CE1-OE1 3.43Å; H718-E722 IonicContact CG-OE1 2.83Å; H718-E722 IonicContact ND1-OE1 2.71Å; H718-E722 PolarHBondContact ND1-OE1 2.86Å; L719-E722 PolarHBondContact O-N 3.46Å
723I67.6Low68.1Low27 Ų2762.9 Ų62.914%0.13830%0.3CS..  trans-111.286.4-175.1-49.8-179.5000111.4T586 L689 L719 W846T586-I723 HydrophobicContact CG2-CG2 4.33Å; L689-I723 HydrophobicContact CD2-CD1 3.54Å; L689-I723 HydrophobicContact CD2-CG2 4.12Å; L719-I723 HydrophobicContact CD2-CD1 4.09Å; L719-I723 PolarHBondContact O-N 3.09Å; I723-W846 HydrophobicContact CG2-CZ2 4.19Å; I723-W846 PolarHBondContact O-NE1 3.35Å
724K75.3Confident70.9Confident93 Ų9352.2 Ų52.240%0.40426%0.258SS..  trans-117.5121.9175.7-173.5160.2-168.9148.20112.3K587K587-K724 PolarHBondContact N-O 2.99Å
725L85.6Confident73.5Confident9 Ų946.1 Ų46.15%0.04723%0.226CC..BIsolated β-bridgetrans-77.3151.5178.6-60.1-177.3000113.1H582 L585 T586 F678 V727 A730 W846H582-L725 WeakPolarHBondContact O-CD2 3.41Å; L585-L725 HydrophobicContact CB-CD2 4.1Å; L585-L725 CarbonylContact O-C 3.41Å; T586-L725 WeakPolarHBondContact OG1-CD2 3.45Å; F678-L725 HydrophobicContact CD1-CD1 4.15Å; F678-L725 HydrophobicContact CE1-CD1 4.4Å; L725-V727 HydrophobicContact CB-CG2 3.95Å; L725-V727 PolarHBondContact O-N 3.29Å; L725-A730 HydrophobicContact CD1-CB 4.15Å; L725-W846 HydrophobicContact CD1-CD2 3.65Å; L725-W846 HydrophobicContact CD1-CE3 3.55Å; L725-W846 HydrophobicContact CD1-CG 4.25Å; L725-W846 HydrophobicContact CD1-CH2 4.03Å; L725-W846 HydrophobicContact CD1-CZ2 4.15Å; L725-W846 HydrophobicContact CD1-CZ3 3.73Å; L725-W846 HydrophobicContact CG-CD2 4.07Å; L725-W846 HydrophobicContact CG-CE3 4.43Å; L725-W846 HydrophobicContact CG-CG 4.45Å; L725-W846 HydrophobicContact CG-CZ2 4.2Å
726S87.6Confident75.8Confident45 Ų4545.4 Ų45.432%0.31522%0.224SC..SBendtrans-86.748.6177.1-57.50000112.6L585 K587L585-S726 VanDerWaalsContact O-CB 3.22Å; L585-S726 WeakPolarHBondContact O-CB 3.32Å; L585-S726 PolarHBondContact O-N 3.47Å; L585-S726 PolarHBondContact O-OG 2.82Å; K587-S726 WeakPolarHBondContact CE-OG 3.46Å; K587-S726 WeakPolarHBondContact CG-OG 3.48Å
727V91Very high77.6Confident21 Ų2143.8 Ų43.813%0.12721%0.214CC..EExtended strand (participates in β ladder)trans-133.1158.5-176.9-53.50000110.8L585 V675 F678 L725 A730L585-V727 HydrophobicContact CD1-CG1 3.85Å; L585-V727 HydrophobicContact CD2-CG1 4.07Å; L585-V727 HydrophobicContact CG-CG1 4.46Å; V675-V727 HydrophobicContact CB-CG1 4.14Å; V675-V727 HydrophobicContact CG1-CG1 3.84Å; V675-V727 WeakPolarHBondContact O-CA 3.45Å; F678-V727 HydrophobicContact CB-CG1 3.9Å; L725-V727 HydrophobicContact CB-CG2 3.95Å; L725-V727 PolarHBondContact O-N 3.29Å; V727-A730 HydrophobicContact CG2-CB 4.18Å
728D91.3Very high79.7Confident72 Ų7238.9 Ų38.939%0.38520%0.195SC..EExtended strand (participates in β ladder)trans-80.1-33.4175.7-55-16000110.8Q674 Q676 G847Q674-D728 PolarHBondContact NE2-OD1 2.86Å; Q674-D728 PolarHBondContact NE2-OD2 3.42Å; Q676-D728 WeakPolarHBondContact CG-OD2 3.39Å; Q676-D728 WeakPolarHBondContact O-CA 3.4Å; Q676-D728 WeakPolarHBondContact O-CB 3.4Å; Q676-D728 PolarHBondContact O-N 2.83Å; D728-G847 WeakPolarHBondContact O-CA 3.47Å
729Q94.1Very high81.3Confident6 Ų635.7 Ų35.73%0.02819%0.185CC..EExtended strand (participates in β ladder)trans-151.5143168.1178.869.54700112.1Q676 N677 F678 Y731 W846 K849 R850Q676-Q729 PolarHBondContact O-N 3.08Å; N677-Q729 WeakPolarHBondContact CA-O 3.49Å; F678-Q729 PolarHBondContact N-O 3.02Å; Q729-Y731 HydrophobicContact CB-CE2 4Å; Q729-Y731 HydrophobicContact CG-CD1 4.38Å; Q729-Y731 HydrophobicContact CG-CD2 4.08Å; Q729-Y731 HydrophobicContact CG-CE1 3.81Å; Q729-Y731 HydrophobicContact CG-CE2 3.44Å; Q729-Y731 VanDerWaalsContact CG-CE2 3.44Å; Q729-Y731 WeakPolarHBondContact CG-OH 3.44Å; Q729-W846 CarbonylContact C-O 3.17Å; Q729-W846 WeakPolarHBondContact CA-O 3.5Å; Q729-W846 PolarHBondContact NE2-O 3.36Å; Q729-K849 HydrophobicContact CG-CB 4.48Å; Q729-K849 PolarHBondContact NE2-O 2.64Å; Q729-K849 VanDerWaalsContact NE2-O 3.11Å; Q729-R850 PolarHBondContact NE2-O 2.6Å
730A94.8Very high82.8Confident0 Ų034.9 Ų34.90%018%0.181CC..EExtended strand (participates in β ladder)trans-110.2148.4167.600000112.2F678 M680 L725 V727 W846F678-A730 CarbonylContact O-C 3.48Å; F678-A730 WeakPolarHBondContact O-CA 3.48Å; M680-A730 HydrophobicContact CE-CB 4.28Å; L725-A730 HydrophobicContact CD1-CB 4.15Å; V727-A730 HydrophobicContact CG2-CB 4.18Å; A730-W846 HydrophobicContact CB-CB 3.76Å; A730-W846 HydrophobicContact CB-CD2 4.4Å; A730-W846 HydrophobicContact CB-CE3 3.78Å; A730-W846 HydrophobicContact CB-CG 4.46Å; A730-W846 PolarHBondContact N-O 2.79Å
731Y97.3Very high84.6Confident1 Ų134.7 Ų34.70%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-134.6130.5176.8-49.4-100000109.4N677 F678 F679 M680 Q729 K849 Y853 F886 Q890N677-Y731 HydrophobicContact CB-CE2 3.94Å; N677-Y731 VanDerWaalsContact OD1-CE2 3.29Å; N677-Y731 WeakPolarHBondContact OD1-CE2 3.26Å; N677-Y731 PolarHBondContact OD1-OH 2.87Å; F678-Y731 PolarHBondContact O-N 3.13Å; F679-Y731 WeakPolarHBondContact CA-O 3.39Å; F679-Y731 AromaticContact CD1-CD2 3.52Å; F679-Y731 HydrophobicContact CD1-CD2 3.52Å; F679-Y731 HydrophobicContact CD1-CE2 4.25Å; F679-Y731 AromaticContact CD1-CG 3.79Å; F679-Y731 HydrophobicContact CD1-CG 3.79Å; F679-Y731 HydrophobicContact CE1-CD1 4.4Å; F679-Y731 AromaticContact CE1-CD2 3.35Å; F679-Y731 HydrophobicContact CE1-CD2 3.35Å; F679-Y731 AromaticContact CE1-CE2 3.62Å; F679-Y731 HydrophobicContact CE1-CE2 3.62Å; F679-Y731 AromaticContact CE1-CG 3.79Å; F679-Y731 HydrophobicContact CE1-CG 3.79Å; F679-Y731 HydrophobicContact CG-CD2 4.26Å; F679-Y731 AromaticContact CZ-CD2 3.99Å; F679-Y731 HydrophobicContact CZ-CD2 3.99Å; F679-Y731 AromaticContact CZ-CE2 3.9Å; F679-Y731 HydrophobicContact CZ-CE2 3.9Å; M680-Y731 WeakPolarHBondContact CE-O 3.4Å; M680-Y731 PolarHBondContact N-O 3.18Å; Q729-Y731 HydrophobicContact CB-CE2 4Å; Q729-Y731 HydrophobicContact CG-CD1 4.38Å; Q729-Y731 HydrophobicContact CG-CD2 4.08Å; Q729-Y731 HydrophobicContact CG-CE1 3.81Å; Q729-Y731 HydrophobicContact CG-CE2 3.44Å; Q729-Y731 VanDerWaalsContact CG-CE2 3.44Å; Q729-Y731 WeakPolarHBondContact CG-OH 3.44Å; Y731-K849 HydrophobicContact CE1-CD 4.2Å; Y731-Y853 HydrophobicContact CD1-CD2 4.29Å; Y731-Y853 AromaticContact CD1-CE2 3.57Å; Y731-Y853 HydrophobicContact CD1-CE2 3.57Å; Y731-Y853 AromaticContact CD1-CZ 3.92Å; Y731-Y853 HydrophobicContact CE1-CE2 4.5Å; Y731-Y853 HydrophobicContact CG-CE2 4.35Å; Y731-F886 AromaticContact CD1-CE1 3.81Å; Y731-F886 HydrophobicContact CD1-CE1 3.81Å; Y731-F886 AromaticContact CD1-CZ 3.74Å; Y731-F886 HydrophobicContact CD1-CZ 3.74Å; Y731-F886 HydrophobicContact CE1-CE1 4.31Å; Y731-F886 HydrophobicContact CE1-CZ 4.11Å; Y731-F886 HydrophobicContact CG-CE1 4.26Å; Y731-Q890 HydrophobicContact CD1-CG 4.36Å; Y731-Q890 HydrophobicContact CE1-CB 4.35Å; Y731-Q890 HydrophobicContact CE1-CG 3.63Å; Y731-Q890 HydrophobicContact CE2-CB 4.41Å; Y731-Q890 HydrophobicContact CE2-CG 4.41Å; Y731-Q890 PolarHBondContact OH-OE1 3.33Å
732N96.4Very high86.4Confident0 Ų031.7 Ų31.70%017%0.169CC..EExtended strand (participates in β ladder)trans-107.7107.1176.3-179.335.5000109.1M680 F734 F742 I744 V851 D852 Y853M680-N732 HydrophobicContact CE-CB 4.04Å; N732-F734 WeakPolarHBondContact ND2-CD1 3.33Å; N732-F742 PolarHBondContact ND2-O 3.05Å; N732-I744 HydrophobicContact CB-CD1 3.73Å; N732-I744 HydrophobicContact CB-CG1 4.33Å; N732-V851 HydrophobicContact CB-CG1 4.14Å; N732-V851 WeakPolarHBondContact CB-O 3.19Å; N732-V851 PolarHBondContact N-O 3.1Å; N732-D852 PolarHBondContact ND2-OD1 3.27Å; N732-Y853 PolarHBondContact O-N 3.22Å
733L96.9Very high88Confident0 Ų030 Ų300%016%0.159CC..EExtended strand (participates in β ladder)trans-107.4117.4-177.2-71.172.6000109.1F679 M680 L681 G682 I760 Y853 V855 V883 F886F679-L733 HydrophobicContact CD1-CD1 4.2Å; M680-L733 PolarHBondContact O-N 3.28Å; L681-L733 WeakPolarHBondContact CA-O 3.43Å; L681-L733 HydrophobicContact CD2-CB 3.93Å; L681-L733 HydrophobicContact CD2-CD2 4.02Å; L681-L733 HydrophobicContact CD2-CG 4.42Å; G682-L733 PolarHBondContact N-O 2.9Å; L733-I760 HydrophobicContact CD2-CD1 3.61Å; L733-I760 HydrophobicContact CG-CD1 3.91Å; L733-Y853 WeakPolarHBondContact CA-O 3.37Å; L733-V855 HydrophobicContact CB-CG2 4.1Å; L733-V883 HydrophobicContact CD2-CG1 4Å; L733-V883 HydrophobicContact CD2-CG2 4.4Å; L733-F886 HydrophobicContact CD1-CE1 4.3Å; L733-F886 HydrophobicContact CD2-CD1 4.07Å; L733-F886 HydrophobicContact CD2-CE1 4.44Å
734F93.9Very high89.1Confident4 Ų428.8 Ų28.82%0.01815%0.152CC..EExtended strand (participates in β ladder)trans-141.9155.9-179.456.9-84.7000110.8N732 L736 R743 P757 D852 Y853 N854 V855N732-F734 WeakPolarHBondContact ND2-CD1 3.33Å; F734-L736 HydrophobicContact CE2-CD2 4.08Å; F734-R743 HydrophobicContact CE1-CG 4.35Å; F734-R743 HydrophobicContact CE2-CG 4.3Å; F734-R743 HydrophobicContact CZ-CG 3.69Å; F734-P757 HydrophobicContact CE2-CG 4.45Å; F734-P757 HydrophobicContact CZ-CB 4.09Å; F734-P757 HydrophobicContact CZ-CG 3.83Å; F734-D852 HydrophobicContact CE1-CB 3.9Å; F734-D852 HydrophobicContact CZ-CB 4.2Å; F734-Y853 PolarHBondContact N-O 3.08Å; F734-Y853 VanDerWaalsContact N-O 3.09Å; F734-N854 CarbonylContact O-C 3.51Å; F734-N854 WeakPolarHBondContact O-CA 3.39Å; F734-V855 PolarHBondContact O-N 2.98Å
735H90.5Very high89.9Confident9 Ų924.3 Ų24.34%0.04213%0.133CC..  trans-85.9136.4163.8-66-79.2000109.5T737 D738 V855 H856 C857 L873 Y877H735-T737 PolarHBondContact O-N 3Å; H735-D738 HydrophobicContact CB-CB 4.18Å; H735-D738 WeakPolarHBondContact O-CB 3.49Å; H735-D738 PolarHBondContact O-N 3.09Å; H735-V855 PolarHBondContact CE1-O 2.67Å; H735-V855 PolarHBondContact ND1-O 2.98Å; H735-V855 WeakPolarHBondContact NE2-CG1 3.5Å; H735-H856 PolarHBondContact CE1-O 2.83Å; H735-H856 VanDerWaalsContact CE1-O 3.28Å; H735-H856 PolarHBondContact NE2-O 2.95Å; H735-C857 HydrophobicContact CB-CB 4.21Å; H735-C857 WeakPolarHBondContact CE1-CA 3.36Å; H735-C857 WeakPolarHBondContact CE1-CB 3.45Å; H735-C857 PolarHBondContact CE1-N 3.35Å; H735-L873 HydrophobicContact CB-CD1 4.18Å; H735-Y877 AromaticContact CD2-CE1 3.5Å; H735-Y877 VanDerWaalsContact CD2-CE1 3.5Å; H735-Y877 WeakPolarHBondContact CD2-CE1 3.12Å; H735-Y877 AromaticContact CD2-CZ 3.57Å; H735-Y877 PolarHBondContact CD2-OH 2.85Å; H735-Y877 PolarHBondContact N-OH 3.36Å
736L86.6Confident90.1Very high114 Ų11425.3 Ų25.360%0.59714%0.14SC*.THydrogen-bonded Turntrans-58.5-14.4175.1-80.4171000115F734 N854F734-L736 HydrophobicContact CE2-CD2 4.08Å; L736-N854 WeakPolarHBondContact CD1-ND2 3.28Å; L736-N854 WeakPolarHBondContact CG-OD1 3.48Å; L736-N854 PolarHBondContact N-OD1 2.95Å
737T83.6Confident89.9Confident28 Ų2825.2 Ų25.217%0.17214%0.136CC..THydrogen-bonded Turntrans-105.34.6178.951.10000114.1H735 P739 C857 Q862 R869H735-T737 PolarHBondContact O-N 3Å; T737-P739 WeakPolarHBondContact O-CD 3.39Å; T737-C857 PolarHBondContact OG1-SG 2.88Å; T737-Q862 HydrophobicContact CG2-CB 4.17Å; T737-Q862 HydrophobicContact CG2-CG 3.86Å; T737-R869 WeakPolarHBondContact O-CD 3.37Å; T737-R869 PolarHBondContact O-NH1 3.4Å
738D84.7Confident89.7Confident10 Ų1024.9 Ų24.95%0.05313%0.133CC..  trans-84.2112.4172.81803.9000110.2H735 C740 G741 L873 Y877H735-D738 HydrophobicContact CB-CB 4.18Å; H735-D738 WeakPolarHBondContact O-CB 3.49Å; H735-D738 PolarHBondContact O-N 3.09Å; D738-C740 PolarHBondContact O-N 3.32Å; D738-C740 VanDerWaalsContact O-N 3.12Å; D738-C740 WeakPolarHBondContact OD1-CB 3.33Å; D738-C740 PolarHBondContact OD1-N 2.97Å; D738-G741 PolarHBondContact O-N 3.5Å; D738-G741 VanDerWaalsContact O-N 3.1Å; D738-L873 HydrophobicContact CB-CD1 3.72Å; D738-Y877 PolarHBondContact OD2-OH 3.46Å
739P81Confident89.4Confident47 Ų4722.4 Ų22.431%0.30512%0.12SC..THydrogen-bonded Turntrans-70.7-3.5179.532.1-36.3000113.6L525 T737 F742 P870L525-P739 HydrophobicContact CD1-CB 4.05Å; L525-P739 HydrophobicContact CD1-CG 3.66Å; T737-P739 WeakPolarHBondContact O-CD 3.39Å; P739-F742 WeakPolarHBondContact O-CE2 3.49Å; P739-P870 HydrophobicContact CG-CG 3.8Å
740C82.3Confident88.7Confident6 Ų626.4 Ų26.44%0.04114%0.142CC..THydrogen-bonded Turntrans-101.1-8.3172.2-64.60000113.4I447 S683 P684 D738 F742I447-C740 VanDerWaalsContact CG2-SG 3.56Å; S683-C740 CarbonylContact C-O 3.57Å; P684-C740 VanDerWaalsContact CA-O 3.3Å; P684-C740 WeakPolarHBondContact CA-O 3.5Å; D738-C740 PolarHBondContact O-N 3.32Å; D738-C740 VanDerWaalsContact O-N 3.12Å; D738-C740 WeakPolarHBondContact OD1-CB 3.33Å; D738-C740 PolarHBondContact OD1-N 2.97Å; C740-F742 WeakPolarHBondContact O-CD2 3.48Å
741G86.8Confident88.3Confident15 Ų1529.5 Ų29.516%0.15515%0.153CC..  trans-94.3107.9-178.200000112.7D738D738-G741 PolarHBondContact O-N 3.5Å; D738-G741 VanDerWaalsContact O-N 3.1Å
742F89.6Confident87.8Confident69 Ų6929.5 Ų29.530%0.30315%0.153SC..  trans-110141.9-176.5-72-101.4000112.5S683 P684 L687 N732 P739 C740S683-F742 PolarHBondContact O-N 3.33Å; S683-F742 VanDerWaalsContact O-N 3.15Å; P684-F742 HydrophobicContact CB-CD2 4.47Å; L687-F742 HydrophobicContact CB-CD1 4.01Å; L687-F742 HydrophobicContact CB-CD2 4.03Å; L687-F742 HydrophobicContact CB-CE1 4.08Å; L687-F742 HydrophobicContact CB-CE2 4.1Å; L687-F742 HydrophobicContact CB-CG 3.99Å; L687-F742 HydrophobicContact CB-CZ 4.13Å; L687-F742 HydrophobicContact CD1-CE1 4.26Å; L687-F742 HydrophobicContact CD1-CZ 4.46Å; L687-F742 HydrophobicContact CD2-CE2 4.24Å; L687-F742 HydrophobicContact CD2-CZ 4.09Å; L687-F742 HydrophobicContact CG-CZ 4.46Å; N732-F742 PolarHBondContact ND2-O 3.05Å; P739-F742 WeakPolarHBondContact O-CE2 3.49Å; C740-F742 WeakPolarHBondContact O-CD2 3.48Å
743R91.5Very high87.3Confident55 Ų5532.4 Ų32.421%0.20817%0.174CC..  trans-65.3149.1171.6-77.3-163.572177.97.8112.3G686 F734 E745 P746 F752 I755 P757 D852G686-R743 WeakPolarHBondContact CA-O 3.4Å; F734-R743 HydrophobicContact CE1-CG 4.35Å; F734-R743 HydrophobicContact CE2-CG 4.3Å; F734-R743 HydrophobicContact CZ-CG 3.69Å; R743-E745 IonicContact NH2-OE2 3.47Å; R743-E745 PolarHBondContact NH2-OE2 3.31Å; R743-P746 HydrophobicContact CB-CG 4.39Å; R743-F752 PolarHBondContact NH1-O 3.21Å; R743-F752 VanDerWaalsContact NH1-O 3.09Å; R743-F752 PolarHBondContact NH2-O 3.02Å; R743-I755 VanDerWaalsContact CZ-O 3.28Å; R743-I755 PolarHBondContact NH1-O 3.17Å; R743-I755 PolarHBondContact NH2-O 3.11Å; R743-P757 HydrophobicContact CG-CG 4.37Å; R743-D852 VanDerWaalsContact CB-OD2 3.31Å; R743-D852 WeakPolarHBondContact CB-OD2 3.41Å; R743-D852 WeakPolarHBondContact CG-OD2 3.3Å; R743-D852 IonicContact CZ-OD2 3.95Å; R743-D852 IonicContact NE-OD2 3.68Å; R743-D852 PolarHBondContact NE-OD2 2.75Å; R743-D852 IonicContact NH2-OD2 3Å
744I91.5Very high86.7Confident0 Ų035.9 Ų35.90%020%0.197CC..  trans-113.1-35.7177.4-58.2176.4000111.4M680 I685 L689 N732 P746 L747 L748 W846 V851 D852M680-I744 HydrophobicContact CE-CD1 3.82Å; M680-I744 HydrophobicContact SD-CD1 4.26Å; I685-I744 HydrophobicContact CG2-CD1 3.41Å; I685-I744 VanDerWaalsContact CG2-CD1 3.41Å; I685-I744 HydrophobicContact CG2-CG1 3.98Å; L689-I744 HydrophobicContact CD1-CG2 3.99Å; N732-I744 HydrophobicContact CB-CD1 3.73Å; N732-I744 HydrophobicContact CB-CG1 4.33Å; I744-P746 VanDerWaalsContact C-CD 3.49Å; I744-L747 WeakPolarHBondContact O-CA 3.47Å; I744-L747 WeakPolarHBondContact O-CB 3.07Å; I744-L747 PolarHBondContact O-N 3.27Å; I744-L748 HydrophobicContact CG2-CD1 4.1Å; I744-L748 HydrophobicContact CG2-CD2 4.46Å; I744-L748 HydrophobicContact CG2-CG 4.09Å; I744-L748 PolarHBondContact O-N 2.75Å; I744-W846 HydrophobicContact CD1-CH2 4.32Å; I744-W846 HydrophobicContact CD1-CZ3 3.71Å; I744-W846 HydrophobicContact CG2-CE3 4.33Å; I744-W846 HydrophobicContact CG2-CH2 3.92Å; I744-W846 HydrophobicContact CG2-CZ2 4.49Å; I744-W846 HydrophobicContact CG2-CZ3 3.84Å; I744-V851 HydrophobicContact CB-CG1 4.31Å; I744-V851 HydrophobicContact CD1-CG1 4.39Å; I744-V851 HydrophobicContact CG2-CG1 4.46Å; I744-D852 PolarHBondContact N-OD1 3.1Å; I744-D852 PolarHBondContact N-OD2 2.9Å; I744-D852 VanDerWaalsContact N-OD2 3.16Å
745E91.4Very high86.3Confident0 Ų036.1 Ų36.10%020%0.199CC..Hα-helixtrans-57.4-41.2-171.7-65.8179.8149.900115R743 L747 L748 D749 F752 W845 R850 V851 D852R743-E745 IonicContact NH2-OE2 3.47Å; R743-E745 PolarHBondContact NH2-OE2 3.31Å; E745-L747 PolarHBondContact O-N 3.37Å; E745-L747 VanDerWaalsContact O-N 3.16Å; E745-L748 PolarHBondContact O-N 3.09Å; E745-D749 PolarHBondContact O-N 2.85Å; E745-F752 HydrophobicContact CB-CB 3.77Å; E745-F752 HydrophobicContact CB-CD1 4.31Å; E745-F752 HydrophobicContact CB-CG 4.2Å; E745-W845 HydrophobicContact CB-CH2 3.74Å; E745-W845 HydrophobicContact CB-CZ2 4.41Å; E745-W845 HydrophobicContact CB-CZ3 4.45Å; E745-W845 HydrophobicContact CG-CH2 3.59Å; E745-W845 HydrophobicContact CG-CZ2 3.75Å; E745-W845 WeakPolarHBondContact OE1-CZ2 3.24Å; E745-R850 WeakPolarHBondContact OE1-CB 3.33Å; E745-R850 IonicContact OE1-CZ 2.7Å; E745-R850 IonicContact OE1-NE 2.65Å; E745-R850 PolarHBondContact OE1-NE 2.8Å; E745-R850 IonicContact OE1-NH2 3.83Å; E745-R850 IonicContact OE2-CZ 3.76Å; E745-R850 IonicContact OE2-NE 3.62Å; E745-R850 PolarHBondContact OE2-NE 2.62Å; E745-R850 IonicContact OE2-NH2 2.86Å; E745-R850 PolarHBondContact OE2-NH2 2.68Å; E745-V851 HydrophobicContact CG-CB 3.93Å; E745-V851 PolarHBondContact OE1-N 3.25Å; E745-D852 WeakPolarHBondContact CB-OD2 3.32Å; E745-D852 HydrophobicContact CG-CB 3.96Å; E745-D852 WeakPolarHBondContact CG-OD2 3.46Å; E745-D852 PolarHBondContact N-OD2 2.98Å; E745-D852 PolarHBondContact OE1-N 3.05Å
746P88.8Confident86.2Confident29 Ų2940.1 Ų40.119%0.18823%0.227CC..Hα-helixtrans-63-20.3176.5-21.334.3000113.8R743 I744 D749 N750R743-P746 HydrophobicContact CB-CG 4.39Å; I744-P746 VanDerWaalsContact C-CD 3.49Å; P746-D749 CarbonylContact O-C 3.57Å; P746-N750 WeakPolarHBondContact O-CA 3.34Å; P746-N750 PolarHBondContact O-N 2.85Å
747L84.8Confident86.4Confident43 Ų4336 Ų3623%0.22521%0.208CC..Hα-helixtrans-87.4-18.7177.3-52.3173.9000112.2G686 L689 A690 I744 E745G686-L747 WeakPolarHBondContact O-CD1 3.38Å; L689-L747 HydrophobicContact CB-CD1 3.72Å; A690-L747 HydrophobicContact CB-CD1 4.34Å; A690-L747 HydrophobicContact CB-CD2 4.24Å; I744-L747 WeakPolarHBondContact O-CA 3.47Å; I744-L747 WeakPolarHBondContact O-CB 3.07Å; I744-L747 PolarHBondContact O-N 3.27Å; E745-L747 PolarHBondContact O-N 3.37Å; E745-L747 VanDerWaalsContact O-N 3.16Å
748L85.4Confident86.8Confident15 Ų1536 Ų368%0.07921%0.206CC..Hα-helixtrans-85.6-38.2173.1-59.3178.2000111.7I744 E745 W845 W846 V851I744-L748 HydrophobicContact CG2-CD1 4.1Å; I744-L748 HydrophobicContact CG2-CD2 4.46Å; I744-L748 HydrophobicContact CG2-CG 4.09Å; I744-L748 PolarHBondContact O-N 2.75Å; E745-L748 PolarHBondContact O-N 3.09Å; L748-W845 HydrophobicContact CB-CE3 3.75Å; L748-W845 HydrophobicContact CB-CZ3 3.83Å; L748-W845 HydrophobicContact CD1-CD2 4.11Å; L748-W845 HydrophobicContact CD1-CE3 3.88Å; L748-W845 HydrophobicContact CD1-CZ3 4.21Å; L748-W845 HydrophobicContact CG-CE3 4.49Å; L748-W846 HydrophobicContact CD2-CZ2 4.36Å; L748-V851 HydrophobicContact CD1-CG2 4.32Å
749D84.8Confident87.1Confident19 Ų1939.6 Ų39.610%0.10223%0.225CC..  trans-154121.6167.5-174.7-51000109.9E745 P746 R751 F752 V841E745-D749 PolarHBondContact O-N 2.85Å; P746-D749 CarbonylContact O-C 3.57Å; D749-R751 PolarHBondContact O-N 2.77Å; D749-R751 WeakPolarHBondContact OD1-CB 3.43Å; D749-R751 IonicContact OD1-CZ 3.72Å; D749-R751 PolarHBondContact OD1-N 2.85Å; D749-R751 IonicContact OD1-NE 3Å; D749-R751 PolarHBondContact OD1-NE 3.17Å; D749-R751 IonicContact OD1-NH2 3.52Å; D749-R751 IonicContact OD2-CZ 3.2Å; D749-R751 IonicContact OD2-NE 3.68Å; D749-R751 PolarHBondContact OD2-NE 2.76Å; D749-R751 IonicContact OD2-NH2 2.73Å; D749-R751 PolarHBondContact OD2-NH2 2.69Å; D749-F752 HydrophobicContact CB-CD2 4Å; D749-F752 HydrophobicContact CB-CE2 4.36Å; D749-F752 PolarHBondContact O-N 3.3Å; D749-V841 HydrophobicContact CB-CG2 4.45Å
750N81.2Confident87.6Confident91 Ų9137.4 Ų37.449%0.48721%0.211SC..G310 helixtrans-57.2-22.2-173.9-174.762.9000114.2T716 P746 F752 S753T716-N750 HydrophobicContact CG2-CB 3.68Å; P746-N750 WeakPolarHBondContact O-CA 3.34Å; P746-N750 PolarHBondContact O-N 2.85Å; N750-F752 PolarHBondContact O-N 3.14Å; N750-S753 VanDerWaalsContact O-CB 3.29Å; N750-S753 WeakPolarHBondContact O-CB 3.21Å; N750-S753 PolarHBondContact O-N 3.33Å; N750-S753 PolarHBondContact O-OG 3.45Å
751R84.6Confident87.8Confident65 Ų6537.6 Ų37.625%0.24521%0.212CC..G310 helixtrans-64.6-19.3176.1-69.6168.9-75.1-1642113.4D749 S753 C754 L786 F787D749-R751 PolarHBondContact O-N 2.77Å; D749-R751 WeakPolarHBondContact OD1-CB 3.43Å; D749-R751 IonicContact OD1-CZ 3.72Å; D749-R751 PolarHBondContact OD1-N 2.85Å; D749-R751 IonicContact OD1-NE 3Å; D749-R751 PolarHBondContact OD1-NE 3.17Å; D749-R751 IonicContact OD1-NH2 3.52Å; D749-R751 IonicContact OD2-CZ 3.2Å; D749-R751 IonicContact OD2-NE 3.68Å; D749-R751 PolarHBondContact OD2-NE 2.76Å; D749-R751 IonicContact OD2-NH2 2.73Å; D749-R751 PolarHBondContact OD2-NH2 2.69Å; R751-S753 PolarHBondContact O-N 2.97Å; R751-C754 PolarHBondContact O-N 3.01Å; R751-L786 VanDerWaalsContact CD-O 3.28Å; R751-L786 WeakPolarHBondContact CD-O 3.48Å; R751-F787 HydrophobicContact CB-CE1 4.32Å; R751-F787 HydrophobicContact CB-CZ 4.06Å; R751-F787 VanDerWaalsContact CZ-CE1 3.47Å; R751-F787 VanDerWaalsContact NH1-CD1 3.34Å
752F87.3Confident87.8Confident0 Ų038.7 Ų38.70%021%0.213CC..G310 helixtrans-77.1-4.2173.2-72.9-98.7000113.9R743 E745 D749 N750 C754 I755 L776 T779 L780 F787 W845R743-F752 PolarHBondContact NH1-O 3.21Å; R743-F752 VanDerWaalsContact NH1-O 3.09Å; R743-F752 PolarHBondContact NH2-O 3.02Å; E745-F752 HydrophobicContact CB-CB 3.77Å; E745-F752 HydrophobicContact CB-CD1 4.31Å; E745-F752 HydrophobicContact CB-CG 4.2Å; D749-F752 HydrophobicContact CB-CD2 4Å; D749-F752 HydrophobicContact CB-CE2 4.36Å; D749-F752 PolarHBondContact O-N 3.3Å; N750-F752 PolarHBondContact O-N 3.14Å; F752-C754 VanDerWaalsContact C-N 3.28Å; F752-I755 HydrophobicContact CD1-CB 4.08Å; F752-I755 HydrophobicContact CD1-CD1 3.78Å; F752-I755 HydrophobicContact CD1-CG1 4.49Å; F752-I755 HydrophobicContact CD1-CG2 4.23Å; F752-I755 HydrophobicContact CD2-CD1 4.41Å; F752-I755 HydrophobicContact CE1-CD1 3.86Å; F752-I755 HydrophobicContact CE2-CD1 4.48Å; F752-I755 HydrophobicContact CG-CD1 4.07Å; F752-I755 HydrophobicContact CZ-CD1 4.21Å; F752-I755 PolarHBondContact O-N 3Å; F752-L776 HydrophobicContact CE1-CD1 4.06Å; F752-L776 HydrophobicContact CZ-CD1 3.65Å; F752-T779 HydrophobicContact CE1-CG2 4.03Å; F752-L780 HydrophobicContact CE2-CD2 4.41Å; F752-L780 HydrophobicContact CZ-CD2 4.03Å; F752-F787 HydrophobicContact CE2-CE1 4.38Å; F752-F787 AromaticContact CE2-CZ 3.82Å; F752-F787 HydrophobicContact CE2-CZ 3.82Å; F752-F787 HydrophobicContact CZ-CZ 4.26Å; F752-W845 AromaticContact CD1-CH2 3.65Å; F752-W845 HydrophobicContact CD1-CH2 3.65Å; F752-W845 HydrophobicContact CD1-CZ2 4.46Å; F752-W845 HydrophobicContact CD1-CZ3 4.45Å; F752-W845 AromaticContact CD2-CH2 3.87Å; F752-W845 HydrophobicContact CD2-CH2 3.87Å; F752-W845 AromaticContact CD2-CZ3 3.84Å; F752-W845 HydrophobicContact CD2-CZ3 3.84Å; F752-W845 AromaticContact CE1-CH2 3.62Å; F752-W845 HydrophobicContact CE1-CH2 3.62Å; F752-W845 HydrophobicContact CE1-CZ2 4.18Å; F752-W845 HydrophobicContact CE1-CZ3 4.41Å; F752-W845 AromaticContact CE2-CH2 3.84Å; F752-W845 HydrophobicContact CE2-CH2 3.84Å; F752-W845 AromaticContact CE2-CZ3 3.79Å; F752-W845 HydrophobicContact CE2-CZ3 3.79Å; F752-W845 AromaticContact CG-CH2 3.78Å; F752-W845 HydrophobicContact CG-CH2 3.78Å; F752-W845 HydrophobicContact CG-CZ3 4.18Å; F752-W845 AromaticContact CZ-CH2 3.72Å; F752-W845 HydrophobicContact CZ-CH2 3.72Å; F752-W845 HydrophobicContact CZ-CZ2 4.4Å; F752-W845 HydrophobicContact CZ-CZ3 4.1Å
753S85.3Confident87.7Confident62 Ų6236.6 Ų36.643%0.43420%0.203SC..G310 helixtrans-57.8-43.6161.158.60000111.2N750 R751 I755N750-S753 VanDerWaalsContact O-CB 3.29Å; N750-S753 WeakPolarHBondContact O-CB 3.21Å; N750-S753 PolarHBondContact O-N 3.33Å; N750-S753 PolarHBondContact O-OG 3.45Å; R751-S753 PolarHBondContact O-N 2.97Å; S753-I755 PolarHBondContact O-N 3.05Å
754C85.1Confident87.3Confident72 Ų7240 Ų4049%0.48623%0.23SC..G310 helixtrans-77.10.8177.5-52.80000114.3R751 F752 L786R751-C754 PolarHBondContact O-N 3.01Å; F752-C754 VanDerWaalsContact C-N 3.28Å; C754-L786 HydrophobicContact CB-CD1 4.21Å
755I86.1Confident86.6Confident10 Ų1042.6 Ų42.65%0.05124%0.24CC..SBendtrans-122118.8-174.6-55.8171.6000109.3R743 F752 S753 T779 Q783 L786 F787R743-I755 VanDerWaalsContact CZ-O 3.28Å; R743-I755 PolarHBondContact NH1-O 3.17Å; R743-I755 PolarHBondContact NH2-O 3.11Å; F752-I755 HydrophobicContact CD1-CB 4.08Å; F752-I755 HydrophobicContact CD1-CD1 3.78Å; F752-I755 HydrophobicContact CD1-CG1 4.49Å; F752-I755 HydrophobicContact CD1-CG2 4.23Å; F752-I755 HydrophobicContact CD2-CD1 4.41Å; F752-I755 HydrophobicContact CE1-CD1 3.86Å; F752-I755 HydrophobicContact CE2-CD1 4.48Å; F752-I755 HydrophobicContact CG-CD1 4.07Å; F752-I755 HydrophobicContact CZ-CD1 4.21Å; F752-I755 PolarHBondContact O-N 3Å; S753-I755 PolarHBondContact O-N 3.05Å; I755-T779 HydrophobicContact CD1-CG2 4.35Å; I755-T779 HydrophobicContact CG2-CG2 3.98Å; I755-Q783 HydrophobicContact CD1-CB 4.13Å; I755-Q783 HydrophobicContact CD1-CG 3.92Å; I755-Q783 HydrophobicContact CG1-CG 4.15Å; I755-L786 HydrophobicContact CD1-CD1 4.35Å; I755-L786 HydrophobicContact CG1-CD1 4.17Å; I755-F787 HydrophobicContact CD1-CE2 4.29Å; I755-F787 HydrophobicContact CD1-CZ 4.45Å
756S88.4Confident86.1Confident92 Ų9245.6 Ų45.664%0.64325%0.251SS*.PPolyproline II helixtrans-59.4148-178.9-49.60000113.5R850S756-R850 PolarHBondContact O-NH2 2.97Å
757P90.3Very high85.5Confident28 Ų2845.9 Ų45.918%0.18225%0.253CS..PPolyproline II helixtrans-54.9154.1163.1-22.934000111.9F734 R743 L759 D852 N854F734-P757 HydrophobicContact CE2-CG 4.45Å; F734-P757 HydrophobicContact CZ-CB 4.09Å; F734-P757 HydrophobicContact CZ-CG 3.83Å; R743-P757 HydrophobicContact CG-CG 4.37Å; P757-L759 PolarHBondContact O-N 3.36Å; P757-D852 WeakPolarHBondContact CA-O 3.3Å; P757-D852 HydrophobicContact CB-CB 4.01Å; P757-D852 HydrophobicContact CG-CB 4.31Å; P757-N854 HydrophobicContact CB-CB 4.27Å
758I91.3Very high85.3Confident29 Ų2947.7 Ų47.715%0.14926%0.263CS..EExtended strand (participates in β ladder)trans-74.4126.8172.4-65.5-171.6000109.4I760 T774 R850 D852 Y853 N854I758-I760 PolarHBondContact O-N 3.33Å; I758-T774 HydrophobicContact CD1-CG2 3.92Å; I758-R850 HydrophobicContact CD1-CB 3.71Å; I758-R850 HydrophobicContact CD1-CG 3.84Å; I758-R850 HydrophobicContact CG1-CB 4.25Å; I758-R850 HydrophobicContact CG1-CG 4.42Å; I758-D852 PolarHBondContact N-O 3.45Å; I758-Y853 HydrophobicContact CB-CD1 3.67Å; I758-Y853 HydrophobicContact CB-CE1 3.76Å; I758-Y853 HydrophobicContact CD1-CE1 3.98Å; I758-Y853 HydrophobicContact CG1-CE1 4.34Å; I758-Y853 HydrophobicContact CG2-CD1 3.8Å; I758-Y853 HydrophobicContact CG2-CE1 3.85Å; I758-Y853 CarbonylContact O-C 3.52Å; I758-Y853 VanDerWaalsContact O-CA 3.22Å; I758-Y853 WeakPolarHBondContact O-CA 3.43Å; I758-N854 PolarHBondContact O-N 3.37Å
759L91.9Very high84.9Confident84 Ų8447.8 Ų47.844%0.4427%0.267SS..EExtended strand (participates in β ladder)trans-69.8129.3171.2-179.565.8000110P757 P761P757-L759 PolarHBondContact O-N 3.36Å; L759-P761 WeakPolarHBondContact O-CD 3.46Å
760I92.1Very high84.7Confident1 Ų149 Ų491%0.00527%0.273CS..PPolyproline II helixtrans-72.1124.9170.5-61.5-167.2000109.2L733 I758 Q762 Y853 N854 V855 D882 F886L733-I760 HydrophobicContact CD2-CD1 3.61Å; L733-I760 HydrophobicContact CG-CD1 3.91Å; I758-I760 PolarHBondContact O-N 3.33Å; I760-Q762 PolarHBondContact O-N 2.66Å; I760-Y853 HydrophobicContact CG1-CD1 4.47Å; I760-N854 PolarHBondContact N-O 3.2Å; I760-V855 HydrophobicContact CD1-CG2 4.09Å; I760-D882 HydrophobicContact CG2-CB 4.22Å; I760-F886 HydrophobicContact CD1-CB 4.18Å; I760-F886 HydrophobicContact CD1-CD1 4.22Å; I760-F886 HydrophobicContact CD1-CD2 4.21Å; I760-F886 HydrophobicContact CD1-CG 3.94Å; I760-F886 HydrophobicContact CG1-CD2 4.25Å; I760-F886 HydrophobicContact CG1-CG 4.46Å; I760-F886 HydrophobicContact CG2-CB 3.94Å; I760-F886 HydrophobicContact CG2-CD2 4.37Å; I760-F886 HydrophobicContact CG2-CG 4.41Å
761P85.8Confident84.3Confident10 Ų1048.2 Ų48.27%0.06529%0.287CS..PPolyproline II helixtrans-62.2129.9176.5-23.834.6000111.9L759 Y763 Y766 D770L759-P761 WeakPolarHBondContact O-CD 3.46Å; P761-Y763 PolarHBondContact O-N 3.32Å; P761-Y766 HydrophobicContact CB-CD2 3.77Å; P761-Y766 HydrophobicContact CB-CG 4.01Å; P761-D770 HydrophobicContact CB-CB 4.1Å; P761-D770 HydrophobicContact CG-CB 3.92Å; P761-D770 VanDerWaalsContact CG-OD1 3.3Å; P761-D770 WeakPolarHBondContact CG-OD1 3.45Å
762Q87.6Confident83.8Confident39 Ų3950.2 Ų50.218%0.18230%0.299CS..PPolyproline II helixtrans-62.4122.6176.5-66.8-17911.800110.5I760 V764 R765 Y766 H856 D882I760-Q762 PolarHBondContact O-N 2.66Å; Q762-V764 PolarHBondContact O-N 3.13Å; Q762-R765 HydrophobicContact CB-CG 3.93Å; Q762-R765 VanDerWaalsContact CD-NE 3.33Å; Q762-R765 PolarHBondContact O-N 2.72Å; Q762-Y766 PolarHBondContact O-N 3.11Å; Q762-H856 HydrophobicContact CG-CB 4.15Å; Q762-H856 PolarHBondContact NE2-CD2 3.49Å; Q762-H856 PolarHBondContact NE2-CE1 2.7Å; Q762-H856 PolarHBondContact NE2-ND1 2.82Å; Q762-H856 PolarHBondContact NE2-NE2 3.27Å; Q762-D882 WeakPolarHBondContact CA-OD2 3.4Å
763Y87.3Confident83.1Confident25 Ų2552.6 Ų52.610%0.09832%0.316CS..THydrogen-bonded Turntrans-58.6-34-176.3168.6-98.9000112.7V471 H475 P761 R765 P767 K881 D882V471-Y763 HydrophobicContact CB-CE2 4.41Å; V471-Y763 HydrophobicContact CG1-CD2 4.34Å; V471-Y763 HydrophobicContact CG1-CE2 3.77Å; V471-Y763 HydrophobicContact CG2-CD2 4.5Å; V471-Y763 HydrophobicContact CG2-CE2 4.01Å; H475-Y763 AromaticContact CE1-CZ 3.77Å; H475-Y763 PolarHBondContact CE1-OH 3.09Å; H475-Y763 VanDerWaalsContact CE1-OH 3.28Å; H475-Y763 AromaticContact ND1-CE2 3.51Å; H475-Y763 AromaticContact ND1-CZ 3.47Å; H475-Y763 PolarHBondContact ND1-OH 2.8Å; P761-Y763 PolarHBondContact O-N 3.32Å; Y763-R765 PolarHBondContact O-N 2.72Å; Y763-P767 HydrophobicContact CD2-CB 3.93Å; Y763-P767 HydrophobicContact CE2-CB 3.8Å; Y763-P767 WeakPolarHBondContact O-CA 3.21Å; Y763-P767 WeakPolarHBondContact O-CD 3.4Å; Y763-K881 HydrophobicContact CD1-CB 3.49Å; Y763-K881 VanDerWaalsContact CD1-CB 3.49Å; Y763-K881 HydrophobicContact CD1-CD 3.85Å; Y763-K881 HydrophobicContact CD1-CG 4.23Å; Y763-K881 HydrophobicContact CE1-CB 4.09Å; Y763-K881 HydrophobicContact CE1-CD 3.83Å; Y763-K881 HydrophobicContact CE1-CG 4.42Å; Y763-K881 HydrophobicContact CG-CB 3.73Å; Y763-D882 WeakPolarHBondContact CB-OD1 3.37Å; Y763-D882 PolarHBondContact N-OD1 2.92Å
764V82.4Confident83.1Confident126 Ų12650.7 Ų50.776%0.76430%0.302SS*.THydrogen-bonded Turntrans-60.1-30.4175.5179.60000111.9Q762Q762-V764 PolarHBondContact O-N 3.13Å
765R75.7Confident83.1Confident55 Ų5550 Ų5021%0.20829%0.293CS..THydrogen-bonded Turntrans-101.8-29.9-178.5-41.1178.9-171-153.1-8.7114Q762 Y763 A1154 N1155 N1157Q762-R765 HydrophobicContact CB-CG 3.93Å; Q762-R765 VanDerWaalsContact CD-NE 3.33Å; Q762-R765 PolarHBondContact O-N 2.72Å; Y763-R765 PolarHBondContact O-N 2.72Å; R765-A1154 PolarHBondContact NH1-O 2.88Å; R765-N1155 WeakPolarHBondContact CD-O 3.32Å; R765-N1155 WeakPolarHBondContact CG-O 3.35Å; R765-N1155 PolarHBondContact NE-O 2.88Å; R765-N1155 PolarHBondContact NH2-OD1 2.97Å; R765-N1157 VanDerWaalsContact CB-ND2 3.26Å; R765-N1157 WeakPolarHBondContact CB-ND2 3.28Å; R765-N1157 WeakPolarHBondContact CD-OD1 3.46Å; R765-N1157 PolarHBondContact NH1-OD1 3.25Å
766Y81.3Confident83.3Confident62 Ų6249.6 Ų49.624%0.24329%0.291CS..  trans-140.462.7-167.9-69.6-65.3000110.2P761 Q762 L768 G769 D770 N1157P761-Y766 HydrophobicContact CB-CD2 3.77Å; P761-Y766 HydrophobicContact CB-CG 4.01Å; Q762-Y766 PolarHBondContact O-N 3.11Å; Y766-L768 PolarHBondContact O-N 3.29Å; Y766-L768 VanDerWaalsContact O-N 3.16Å; Y766-G769 PolarHBondContact O-N 3.14Å; Y766-D770 HydrophobicContact CD1-CB 3.56Å; Y766-D770 HydrophobicContact CD2-CB 3.98Å; Y766-D770 HydrophobicContact CE1-CB 3.47Å; Y766-D770 VanDerWaalsContact CE1-CB 3.47Å; Y766-D770 HydrophobicContact CE2-CB 3.89Å; Y766-D770 HydrophobicContact CG-CB 3.79Å; Y766-N1157 WeakPolarHBondContact CD2-ND2 3.43Å; Y766-N1157 HydrophobicContact CE1-CB 4.49Å; Y766-N1157 WeakPolarHBondContact CE1-ND2 3.48Å; Y766-N1157 VanDerWaalsContact CE2-CG 3.47Å; Y766-N1157 WeakPolarHBondContact CE2-ND2 3.19Å; Y766-N1157 VanDerWaalsContact OH-CG 3.32Å; Y766-N1157 PolarHBondContact OH-ND2 3.14Å
767P77Confident83.1Confident36 Ų3647.5 Ų47.523%0.23427%0.272CS..THydrogen-bonded Turntrans-64-25.4-171.324.5-34.2000113.9Y476 Y763Y476-P767 PolarHBondContact OH-O 2.87Å; Y763-P767 HydrophobicContact CD2-CB 3.93Å; Y763-P767 HydrophobicContact CE2-CB 3.8Å; Y763-P767 WeakPolarHBondContact O-CA 3.21Å; Y763-P767 WeakPolarHBondContact O-CD 3.4Å
768L81.5Confident82.8Confident81 Ų8148.3 Ų48.342%0.42427%0.273SS..THydrogen-bonded Turntrans-100.97.8174.7-58-178.7000113.1H475 Y476 Y766 R889 V899H475-L768 HydrophobicContact CB-CD2 3.9Å; Y476-L768 HydrophobicContact CD1-CD2 4.32Å; Y476-L768 HydrophobicContact CE1-CD2 3.78Å; Y476-L768 WeakPolarHBondContact OH-CA 3.46Å; Y766-L768 PolarHBondContact O-N 3.29Å; Y766-L768 VanDerWaalsContact O-N 3.16Å; L768-R889 VanDerWaalsContact O-CD 3.28Å; L768-R889 WeakPolarHBondContact O-CD 3.41Å; L768-V899 HydrophobicContact CD1-CG1 4.16Å; L768-V899 HydrophobicContact CD2-CG1 3.94Å
769G76.1Confident82.4Confident16 Ų1647.2 Ų47.217%0.16527%0.268CS..  trans91175.4-167.300000113.4Y766Y766-G769 PolarHBondContact O-N 3.14Å
770D79.7Confident82.1Confident44 Ų4443.2 Ų43.224%0.23525%0.247CC..  trans-105.1-2.5-176.565-19.1000113.7P761 Y766 Q772P761-D770 HydrophobicContact CB-CB 4.1Å; P761-D770 HydrophobicContact CG-CB 3.92Å; P761-D770 VanDerWaalsContact CG-OD1 3.3Å; P761-D770 WeakPolarHBondContact CG-OD1 3.45Å; Y766-D770 HydrophobicContact CD1-CB 3.56Å; Y766-D770 HydrophobicContact CD2-CB 3.98Å; Y766-D770 HydrophobicContact CE1-CB 3.47Å; Y766-D770 VanDerWaalsContact CE1-CB 3.47Å; Y766-D770 HydrophobicContact CE2-CB 3.89Å; Y766-D770 HydrophobicContact CG-CB 3.79Å; D770-Q772 VanDerWaalsContact C-N 3.32Å; D770-Q772 PolarHBondContact OD1-N 2.96Å; D770-Q772 VanDerWaalsContact OD1-N 3.13Å; D770-Q772 WeakPolarHBondContact OD2-CG 3.38Å; D770-Q772 PolarHBondContact OD2-NE2 3.45Å
771G73.2Confident81.5Confident75 Ų7545 Ų4577%0.77326%0.257SS*.  trans80.33.3-17700000114.9
772Q73.9Confident81.2Confident107 Ų10747.5 Ų47.550%0.527%0.267SS..  trans-70.8134.2174.9-66.8-165.455.600111.1D770 F1289D770-Q772 VanDerWaalsContact C-N 3.32Å; D770-Q772 PolarHBondContact OD1-N 2.96Å; D770-Q772 VanDerWaalsContact OD1-N 3.13Å; D770-Q772 WeakPolarHBondContact OD2-CG 3.38Å; D770-Q772 PolarHBondContact OD2-NE2 3.45Å; Q772-F1289 HydrophobicContact CG-CE1 3.87Å; Q772-F1289 HydrophobicContact CG-CZ 3.94Å
773S73.4Confident81.1Confident50 Ų5048.1 Ų48.135%0.3527%0.27SS..  trans-72.9136.3177-175.50000111.2N775 E778S773-N775 WeakPolarHBondContact OG-CB 3.39Å; S773-N775 PolarHBondContact OG-N 3.08Å; S773-N775 PolarHBondContact OG-ND2 3.34Å; S773-E778 VanDerWaalsContact CB-OE1 3.29Å; S773-E778 WeakPolarHBondContact CB-OE1 3.31Å; S773-E778 PolarHBondContact OG-OE1 3.27Å
774T85.2Confident80.8Confident23 Ų2347 Ų4714%0.14127%0.266CS..  trans-98.80.3174.552.30000112.6I758 K849 R850 Y853I758-T774 HydrophobicContact CD1-CG2 3.92Å; T774-K849 CarbonylContact O-C 3.41Å; T774-K849 VanDerWaalsContact O-CA 3.29Å; T774-K849 WeakPolarHBondContact O-CA 3.35Å; T774-K849 VanDerWaalsContact O-CB 3.3Å; T774-K849 WeakPolarHBondContact O-CB 3.44Å; T774-K849 WeakPolarHBondContact OG1-CD 3.21Å; T774-R850 PolarHBondContact O-N 3.15Å; T774-Y853 HydrophobicContact CG2-CE1 3.94Å
775N86.1Confident80.8Confident57 Ų5743 Ų4331%0.30524%0.239SC..BIsolated β-bridgetrans-69132.7-175.1-66.7-37.8000112.1S773 I777 E778 T779S773-N775 WeakPolarHBondContact OG-CB 3.39Å; S773-N775 PolarHBondContact OG-N 3.08Å; S773-N775 PolarHBondContact OG-ND2 3.34Å; N775-I777 VanDerWaalsContact C-N 3.33Å; N775-I777 HydrophobicContact CB-CG2 4.3Å; N775-I777 PolarHBondContact O-N 3.23Å; N775-E778 HydrophobicContact CB-CB 4.39Å; N775-E778 HydrophobicContact CB-CG 4.23Å; N775-E778 PolarHBondContact ND2-OE1 3.19Å; N775-E778 PolarHBondContact O-N 2.86Å; N775-T779 PolarHBondContact O-N 2.9Å
776L89Confident81.1Confident2 Ų242.8 Ų42.81%0.0124%0.241CC..Hα-helixtrans-59-44.3178.7177.964.2000111.6F752 E778 T779 L780 L838 V841 W845 P848F752-L776 HydrophobicContact CE1-CD1 4.06Å; F752-L776 HydrophobicContact CZ-CD1 3.65Å; L776-E778 PolarHBondContact O-N 3.37Å; L776-T779 WeakPolarHBondContact O-CB 3.32Å; L776-T779 PolarHBondContact O-N 3.18Å; L776-T779 VanDerWaalsContact O-N 3.15Å; L776-L780 HydrophobicContact CD1-CD1 4.49Å; L776-L780 HydrophobicContact CD1-CG 4.33Å; L776-L780 HydrophobicContact CD2-CD1 4.46Å; L776-L780 HydrophobicContact CG-CD1 4.01Å; L776-L780 HydrophobicContact CG-CG 4.26Å; L776-L780 WeakPolarHBondContact O-CG 3.42Å; L776-L780 PolarHBondContact O-N 3.48Å; L776-L838 HydrophobicContact CD2-CD1 3.81Å; L776-L838 HydrophobicContact CG-CD1 4.27Å; L776-V841 HydrophobicContact CD2-CG1 4.04Å; L776-W845 HydrophobicContact CD1-CD2 4.25Å; L776-W845 HydrophobicContact CD1-CH2 4.22Å; L776-W845 HydrophobicContact CD1-CZ2 3.72Å; L776-W845 HydrophobicContact CD2-CB 4.23Å; L776-W845 HydrophobicContact CD2-CD2 3.95Å; L776-W845 HydrophobicContact CD2-CG 3.72Å; L776-P848 VanDerWaalsContact CB-O 3.29Å; L776-P848 WeakPolarHBondContact CB-O 3.25Å; L776-P848 PolarHBondContact N-O 2.82Å
777I85.5Confident81Confident48 Ų4840.4 Ų40.425%0.24623%0.232CC..Hα-helixtrans-61.2-31-179.3-175.956.2000112.7N775 L780 I781 A834 L835 L838N775-I777 VanDerWaalsContact C-N 3.33Å; N775-I777 HydrophobicContact CB-CG2 4.3Å; N775-I777 PolarHBondContact O-N 3.23Å; I777-L780 PolarHBondContact O-N 3.28Å; I777-I781 HydrophobicContact CD1-CD1 4.39Å; I777-I781 HydrophobicContact CD1-CG1 4.37Å; I777-I781 HydrophobicContact CG1-CD1 4.12Å; I777-I781 WeakPolarHBondContact O-CB 3.5Å; I777-I781 VanDerWaalsContact O-CG1 3.26Å; I777-I781 WeakPolarHBondContact O-CG1 3.22Å; I777-I781 PolarHBondContact O-N 3.2Å; I777-A834 HydrophobicContact CD1-CB 3.96Å; I777-L835 HydrophobicContact CD1-CD2 4.31Å; I777-L838 HydrophobicContact CB-CD2 4.36Å; I777-L838 HydrophobicContact CD1-CB 4.29Å; I777-L838 HydrophobicContact CD1-CD2 4.17Å; I777-L838 HydrophobicContact CG1-CD2 4.47Å
778E82.4Confident81Confident44 Ų4440.7 Ų40.721%0.20624%0.235CC..Hα-helixtrans-75.7-36.5177.3-66-174.9-89.900111.4S773 N775 L776 I781 Q782 K1290S773-E778 VanDerWaalsContact CB-OE1 3.29Å; S773-E778 WeakPolarHBondContact CB-OE1 3.31Å; S773-E778 PolarHBondContact OG-OE1 3.27Å; N775-E778 HydrophobicContact CB-CB 4.39Å; N775-E778 HydrophobicContact CB-CG 4.23Å; N775-E778 PolarHBondContact ND2-OE1 3.19Å; N775-E778 PolarHBondContact O-N 2.86Å; L776-E778 PolarHBondContact O-N 3.37Å; E778-I781 PolarHBondContact O-N 3.42Å; E778-Q782 WeakPolarHBondContact O-CB 3.45Å; E778-Q782 VanDerWaalsContact O-CG 3.26Å; E778-Q782 WeakPolarHBondContact O-CG 3.46Å; E778-Q782 PolarHBondContact O-N 2.85Å; E778-K1290 IonicContact OE2-NZ 2.7Å; E778-K1290 PolarHBondContact OE2-NZ 2.89Å
779T84.1Confident80Confident7 Ų740.8 Ų40.84%0.04325%0.248CC..Hα-helixtrans-60.3-44.3165.8-62.60000111.4F752 I755 N775 L776 I781 Q782 Q783 R850F752-T779 HydrophobicContact CE1-CG2 4.03Å; I755-T779 HydrophobicContact CD1-CG2 4.35Å; I755-T779 HydrophobicContact CG2-CG2 3.98Å; N775-T779 PolarHBondContact O-N 2.9Å; L776-T779 WeakPolarHBondContact O-CB 3.32Å; L776-T779 PolarHBondContact O-N 3.18Å; L776-T779 VanDerWaalsContact O-N 3.15Å; T779-I781 VanDerWaalsContact C-N 3.34Å; T779-I781 PolarHBondContact O-N 2.82Å; T779-Q782 CarbonylContact O-C 3.53Å; T779-Q782 WeakPolarHBondContact O-CA 3.22Å; T779-Q782 WeakPolarHBondContact O-CB 3.26Å; T779-Q782 PolarHBondContact O-N 3.05Å; T779-Q782 VanDerWaalsContact O-N 3.13Å; T779-Q783 HydrophobicContact CG2-CG 4.23Å; T779-Q783 WeakPolarHBondContact O-CB 3.39Å; T779-Q783 WeakPolarHBondContact O-CG 3.2Å; T779-Q783 PolarHBondContact O-N 3.32Å; T779-R850 WeakPolarHBondContact OG1-CD 3.13Å; T779-R850 PolarHBondContact OG1-NH1 3.13Å
780L84.9Confident78.7Confident0 Ų047.2 Ų47.20%028%0.279CS..Hα-helixtrans-65.8-34.9-180-67.5175.8000112.4F752 L776 I777 Q783 A784 F787 A834 A837 L838F752-L780 HydrophobicContact CE2-CD2 4.41Å; F752-L780 HydrophobicContact CZ-CD2 4.03Å; L776-L780 HydrophobicContact CD1-CD1 4.49Å; L776-L780 HydrophobicContact CD1-CG 4.33Å; L776-L780 HydrophobicContact CD2-CD1 4.46Å; L776-L780 HydrophobicContact CG-CD1 4.01Å; L776-L780 HydrophobicContact CG-CG 4.26Å; L776-L780 WeakPolarHBondContact O-CG 3.42Å; L776-L780 PolarHBondContact O-N 3.48Å; I777-L780 PolarHBondContact O-N 3.28Å; L780-Q783 PolarHBondContact O-N 3.49Å; L780-A784 WeakPolarHBondContact O-CA 3.41Å; L780-A784 PolarHBondContact O-N 2.93Å; L780-F787 HydrophobicContact CD2-CD1 4.14Å; L780-F787 HydrophobicContact CD2-CD2 4.09Å; L780-F787 HydrophobicContact CD2-CE1 3.65Å; L780-F787 HydrophobicContact CD2-CE2 3.61Å; L780-F787 HydrophobicContact CD2-CG 4.37Å; L780-F787 HydrophobicContact CD2-CZ 3.38Å; L780-A834 HydrophobicContact CB-CB 3.99Å; L780-A837 HydrophobicContact CD1-CB 4.17Å; L780-A837 HydrophobicContact CD2-CB 4.08Å; L780-L838 HydrophobicContact CD1-CB 3.85Å; L780-L838 HydrophobicContact CD1-CD1 3.97Å
781I79.8Confident77.1Confident39 Ų3949.4 Ų49.420%0.229%0.293CS..Hα-helixtrans-66.5-43.1170.2-70.9165.9000110.4I777 E778 T779 Q783 A834 N1287I777-I781 HydrophobicContact CD1-CD1 4.39Å; I777-I781 HydrophobicContact CD1-CG1 4.37Å; I777-I781 HydrophobicContact CG1-CD1 4.12Å; I777-I781 WeakPolarHBondContact O-CB 3.5Å; I777-I781 VanDerWaalsContact O-CG1 3.26Å; I777-I781 WeakPolarHBondContact O-CG1 3.22Å; I777-I781 PolarHBondContact O-N 3.2Å; E778-I781 PolarHBondContact O-N 3.42Å; T779-I781 VanDerWaalsContact C-N 3.34Å; T779-I781 PolarHBondContact O-N 2.82Å; I781-Q783 PolarHBondContact O-N 3.33Å; I781-A834 HydrophobicContact CB-CB 4.28Å; I781-A834 HydrophobicContact CG1-CB 3.48Å; I781-A834 VanDerWaalsContact CG1-CB 3.48Å; I781-N1287 HydrophobicContact CG2-CB 4.39Å; I781-N1287 WeakPolarHBondContact CG2-ND2 3.48Å; I781-N1287 PolarHBondContact O-ND2 2.87Å
782Q80.1Confident75.1Confident62 Ų6249.4 Ų49.429%0.2928%0.282SS..Hα-helixtrans-66.7-19.6176.3-76.2172.1-24.900114.9E778 T779 H1286 N1287E778-Q782 WeakPolarHBondContact O-CB 3.45Å; E778-Q782 VanDerWaalsContact O-CG 3.26Å; E778-Q782 WeakPolarHBondContact O-CG 3.46Å; E778-Q782 PolarHBondContact O-N 2.85Å; T779-Q782 CarbonylContact O-C 3.53Å; T779-Q782 WeakPolarHBondContact O-CA 3.22Å; T779-Q782 WeakPolarHBondContact O-CB 3.26Å; T779-Q782 PolarHBondContact O-N 3.05Å; T779-Q782 VanDerWaalsContact O-N 3.13Å; Q782-H1286 CarbonylContact C-O 3.52Å; Q782-H1286 WeakPolarHBondContact CA-O 3.4Å; Q782-H1286 CarbonylContact O-C 3.58Å; Q782-N1287 HydrophobicContact CB-CB 4.39Å; Q782-N1287 HydrophobicContact CG-CB 3.74Å; Q782-N1287 PolarHBondContact NE2-O 3.47Å
783Q85Confident73.3Confident52 Ų5253.3 Ų53.324%0.24330%0.3CS..THydrogen-bonded Turntrans-121.815.2-175.4-61.9-60.8-34.500112.2I755 T779 L780 I781 E785 L786 F787I755-Q783 HydrophobicContact CD1-CB 4.13Å; I755-Q783 HydrophobicContact CD1-CG 3.92Å; I755-Q783 HydrophobicContact CG1-CG 4.15Å; T779-Q783 HydrophobicContact CG2-CG 4.23Å; T779-Q783 WeakPolarHBondContact O-CB 3.39Å; T779-Q783 WeakPolarHBondContact O-CG 3.2Å; T779-Q783 PolarHBondContact O-N 3.32Å; L780-Q783 PolarHBondContact O-N 3.49Å; I781-Q783 PolarHBondContact O-N 3.33Å; Q783-E785 PolarHBondContact O-N 3.33Å; Q783-L786 HydrophobicContact CB-CD1 4.28Å; Q783-L786 WeakPolarHBondContact O-CB 3.35Å; Q783-L786 PolarHBondContact O-N 2.79Å; Q783-F787 HydrophobicContact CB-CD2 4.4Å; Q783-F787 HydrophobicContact CB-CE2 4.04Å; Q783-F787 WeakPolarHBondContact O-CD2 3.43Å
784A81.5Confident71.3Confident0 Ų060.2 Ų60.20%032%0.323CS..G310 helixtrans-55.8-22-172.100000114.8L780 L786 F787 S788 K830 V833L780-A784 WeakPolarHBondContact O-CA 3.41Å; L780-A784 PolarHBondContact O-N 2.93Å; A784-L786 VanDerWaalsContact C-N 3.32Å; A784-F787 PolarHBondContact O-N 3.01Å; A784-S788 PolarHBondContact O-N 2.92Å; A784-S788 VanDerWaalsContact O-N 3.11Å; A784-S788 PolarHBondContact O-OG 3.07Å; A784-K830 HydrophobicContact CB-CB 3.92Å; A784-K830 HydrophobicContact CB-CD 4.32Å; A784-K830 HydrophobicContact CB-CG 3.94Å; A784-V833 HydrophobicContact CB-CB 4.43Å; A784-V833 HydrophobicContact CB-CG1 4.21Å; A784-V833 WeakPolarHBondContact O-CG1 3.22Å
785E81Confident68.7Low42 Ų4263.6 Ų63.620%0.19635%0.348CS..G310 helixtrans-66.8-31.5173.4-66.9179.4-127.400111.4Q783 F787 V791 K830 R1285 H1286Q783-E785 PolarHBondContact O-N 3.33Å; E785-F787 VanDerWaalsContact C-N 3.32Å; E785-F787 PolarHBondContact O-N 2.65Å; E785-V791 WeakPolarHBondContact O-CG2 3.48Å; E785-K830 WeakPolarHBondContact OE1-CE 3.5Å; E785-K830 IonicContact OE1-NZ 2.68Å; E785-K830 PolarHBondContact OE1-NZ 2.88Å; E785-R1285 WeakPolarHBondContact OE1-CB 3.36Å; E785-R1285 VanDerWaalsContact OE1-CD 3.25Å; E785-R1285 WeakPolarHBondContact OE1-CD 3.33Å; E785-R1285 VanDerWaalsContact OE2-CD 3.3Å; E785-R1285 WeakPolarHBondContact OE2-CD 3.47Å; E785-R1285 IonicContact OE2-CZ 3.07Å; E785-R1285 IonicContact OE2-NH1 2.67Å; E785-R1285 PolarHBondContact OE2-NH1 3.42Å; E785-H1286 IonicContact OE1-CD2 3.22Å
786L82Confident66.1Low51 Ų5170.8 Ų70.827%0.26737%0.373SS..G310 helixtrans-74.4-14.2171.3-56.8-178.3000114.5R751 C754 I755 Q783 A784R751-L786 VanDerWaalsContact CD-O 3.28Å; R751-L786 WeakPolarHBondContact CD-O 3.48Å; C754-L786 HydrophobicContact CB-CD1 4.21Å; I755-L786 HydrophobicContact CD1-CD1 4.35Å; I755-L786 HydrophobicContact CG1-CD1 4.17Å; Q783-L786 HydrophobicContact CB-CD1 4.28Å; Q783-L786 WeakPolarHBondContact O-CB 3.35Å; Q783-L786 PolarHBondContact O-N 2.79Å; A784-L786 VanDerWaalsContact C-N 3.32Å
787F80.6Confident63.1Low12 Ų1277.2 Ų77.25%0.05341%0.407CS..G310 helixtrans-111.5-2.1-177.2-65.3-91.5000113.6R751 F752 I755 L780 Q783 A784 E785 V833 A837 V841R751-F787 HydrophobicContact CB-CE1 4.32Å; R751-F787 HydrophobicContact CB-CZ 4.06Å; R751-F787 VanDerWaalsContact CZ-CE1 3.47Å; R751-F787 VanDerWaalsContact NH1-CD1 3.34Å; F752-F787 HydrophobicContact CE2-CE1 4.38Å; F752-F787 AromaticContact CE2-CZ 3.82Å; F752-F787 HydrophobicContact CE2-CZ 3.82Å; F752-F787 HydrophobicContact CZ-CZ 4.26Å; I755-F787 HydrophobicContact CD1-CE2 4.29Å; I755-F787 HydrophobicContact CD1-CZ 4.45Å; L780-F787 HydrophobicContact CD2-CD1 4.14Å; L780-F787 HydrophobicContact CD2-CD2 4.09Å; L780-F787 HydrophobicContact CD2-CE1 3.65Å; L780-F787 HydrophobicContact CD2-CE2 3.61Å; L780-F787 HydrophobicContact CD2-CG 4.37Å; L780-F787 HydrophobicContact CD2-CZ 3.38Å; Q783-F787 HydrophobicContact CB-CD2 4.4Å; Q783-F787 HydrophobicContact CB-CE2 4.04Å; Q783-F787 WeakPolarHBondContact O-CD2 3.43Å; A784-F787 PolarHBondContact O-N 3.01Å; E785-F787 VanDerWaalsContact C-N 3.32Å; E785-F787 PolarHBondContact O-N 2.65Å; F787-V833 HydrophobicContact CB-CG1 3.93Å; F787-A837 HydrophobicContact CB-CB 3.81Å; F787-A837 HydrophobicContact CD1-CB 3.52Å; F787-A837 HydrophobicContact CE1-CB 4.31Å; F787-A837 HydrophobicContact CG-CB 3.74Å; F787-V841 HydrophobicContact CE1-CG2 4.43Å
788S75.8Confident60.4Low42 Ų4282.9 Ų82.929%0.29444%0.437SS..  trans-70.4138.9-179-69.50000112A784 N790 V791A784-S788 PolarHBondContact O-N 2.92Å; A784-S788 VanDerWaalsContact O-N 3.11Å; A784-S788 PolarHBondContact O-OG 3.07Å; S788-N790 PolarHBondContact O-N 2.64Å; S788-N790 VanDerWaalsContact O-N 3.08Å; S788-V791 PolarHBondContact O-N 2.82Å
789A61.2Low57.8Low83 Ų8386.1 Ų86.169%0.68646%0.464SS*.THydrogen-bonded Turntrans-62.1-20.6-173.400000115V791A789-V791 VanDerWaalsContact C-N 3.34Å; A789-V791 PolarHBondContact O-N 3.13Å
790N47.7Very low55Low152 Ų15293.3 Ų93.381%0.81350%0.502SS*.THydrogen-bonded Turntrans-89.311.2-175.2-63.810.5000114S788 S792S788-N790 PolarHBondContact O-N 2.64Å; S788-N790 VanDerWaalsContact O-N 3.08Å; N790-S792 PolarHBondContact O-N 2.92Å
791V46.7Very low52.5Low90 Ų9098.9 Ų98.955%0.54554%0.541SS..  trans-8941.8173-163.90000110.5E785 S788 A789E785-V791 WeakPolarHBondContact O-CG2 3.48Å; S788-V791 PolarHBondContact O-N 2.82Å; A789-V791 VanDerWaalsContact C-N 3.34Å; A789-V791 PolarHBondContact O-N 3.13Å
792S31.5Very low50Low75 Ų75103.7 Ų103.752%0.52457%0.567SS.*  trans-107.2155.117155.50000110.4N790 K794N790-S792 PolarHBondContact O-N 2.92Å; S792-K794 PolarHBondContact O-N 3.16Å
793E35.8Very low47.6Very low189 Ų189107.4 Ų107.488%0.88359%0.589SS**SBendtrans72.58.5164.9-48.9-170.9148.700119.6
794K30.9Very low44.9Very low194 Ų194113 Ų11384%0.84361%0.613SS**  trans-128.790169.4-72.2-165.8177.2-176.10115.3S792S792-K794 PolarHBondContact O-N 3.16Å
795S31.1Very low42.4Very low95 Ų95117.9 Ų117.966%0.66464%0.643SS**  trans19.9108.4148.9-52.70000119N797S795-N797 PolarHBondContact O-N 3.18Å
796Y31Very low39.8Very low208 Ų208121.7 Ų121.782%0.81667%0.669SS**SBendtrans-75.550.4159-59.6-79.5000111.7
797N26.8Very low37.4Very low136 Ų136126.4 Ų126.473%0.72770%0.695SS**  trans-145112.2176.4-77.9-43.6000106.6S795S795-N797 PolarHBondContact O-N 3.18Å
798L29.4Very low35Very low168 Ų168133.9 Ų133.988%0.8873%0.73SS**  trans-135.472.2-179.8-148.578.7000113.5
799S27.5Very low33Very low111 Ų111139 Ų13978%0.77675%0.754SS**  trans-66.7140.1162.955.70000111.7
800N25.9Very low31.5Very low159 Ų159141.6 Ų141.685%0.8576%0.756SS**  trans-24.9128.3172.7-53.9-25.6000117.3
801S32.4Very low30.9Very low116 Ų116142.4 Ų142.481%0.81176%0.76SS**  179.5133123.154.70000112.2
802D26.8Very low30Very low140 Ų140140.9 Ų140.975%0.74976%0.763SS**  trans-68.3157.9167.6-52.4-86.9000112.4
803N29.2Very low29.8Very low141 Ų141143.8 Ų143.875%0.75478%0.782SS**  172.6144.4111.9-92.3-63.6000115.6
804F28Very low29.5Very low170 Ų170140.6 Ų140.675%0.74678%0.775SS**  trans84.7123.8139.7-93.4-123.4000124.8
805T28.7Very low29.5Very low101 Ų101135 Ų13562%0.6276%0.755SS**  trans57.4114.4139.554.50000120.2
806T26.7Very low29.7Very low122 Ų122136.1 Ų136.175%0.74876%0.757SS**  73.6114.659.467.80000116.3
807N32.2Very low29.8Very low150 Ų150135.5 Ų135.580%0.80276%0.758SS**  trans174.7104.5145.5-86.2-13.2000105.5
808E29.8Very low30Very low170 Ų170136.2 Ų136.279%0.79475%0.751SS**  54.4112.183.9-66.3-158.4157.800114.8
809N34.5Very low30.1Very low149 Ų149134.6 Ų134.680%0.79774%0.739SS**  -173.5158.4115.1-100.3-68.7000113.7
810N29.8Very low30.3Very low138 Ų138135.1 Ų135.174%0.73873%0.732SS**  trans-59.4140.2-167.3-53.3-53.5000117.4
811D33.3Very low30.6Very low168 Ų168130.4 Ų130.490%0.89871%0.709SS**  164.6158.6115.6-94.7-10.9000111.3
812G28.6Very low30.7Very low58 Ų58129.5 Ų129.560%0.59870%0.695SS**  cis161.560.74.500000112.5V814G812-V814 PolarHBondContact O-N 3.43Å
813C27.1Very low31.2Very low137 Ų137130 Ų13093%0.92669%0.693SS**SBendtrans57.946.9168.5-152.90000118.6
814V29.5Very low31.5Very low121 Ų121128 Ų12873%0.73368%0.679SS**  trans-140.4154.3161.2-169.20000109.5G812G812-V814 PolarHBondContact O-N 3.43Å
815N31.7Very low32.3Very low78 Ų78123.4 Ų123.442%0.41766%0.662SS.*  trans111.522.4160.3-59.1-69.7000120.8K817 R818N815-K817 VanDerWaalsContact C-N 3.27Å; N815-K817 PolarHBondContact O-N 3.34Å; N815-R818 HydrophobicContact CB-CB 3.71Å; N815-R818 WeakPolarHBondContact O-CA 3.25Å; N815-R818 WeakPolarHBondContact O-CB 3.42Å; N815-R818 PolarHBondContact O-N 3.23Å; N815-R818 VanDerWaalsContact OD1-CD 3.25Å; N815-R818 WeakPolarHBondContact OD1-CD 3.23Å
816V34.5Very low34.1Very low117 Ų117122.3 Ų122.371%0.70965%0.652SS**Hα-helixtrans-57.6-39168.3179.70000112R818 Q819V816-R818 PolarHBondContact O-N 3.18Å; V816-R818 VanDerWaalsContact O-N 3.09Å; V816-Q819 PolarHBondContact O-N 3.21Å
817K33Very low35.8Very low195 Ų195123.4 Ų123.485%0.84864%0.643SS**Hα-helixtrans-62.6-11.2171.7-79.9-174.1173.2-179.60114.7N815 T821N815-K817 VanDerWaalsContact C-N 3.27Å; N815-K817 PolarHBondContact O-N 3.34Å; K817-T821 PolarHBondContact O-OG1 3.2Å
818R31.6Very low37.5Very low152 Ų152120 Ų12057%0.57462%0.622SS**Hα-helixtrans-97.2-13.4-179.6-148169.3-177.6170.90.5113.5N815 V816 T821 N822N815-R818 HydrophobicContact CB-CB 3.71Å; N815-R818 WeakPolarHBondContact O-CA 3.25Å; N815-R818 WeakPolarHBondContact O-CB 3.42Å; N815-R818 PolarHBondContact O-N 3.23Å; N815-R818 VanDerWaalsContact OD1-CD 3.25Å; N815-R818 WeakPolarHBondContact OD1-CD 3.23Å; V816-R818 PolarHBondContact O-N 3.18Å; V816-R818 VanDerWaalsContact O-N 3.09Å; R818-T821 WeakPolarHBondContact CA-OG1 3.4Å; R818-T821 PolarHBondContact O-OG1 2.96Å; R818-N822 WeakPolarHBondContact O-CB 3.17Å; R818-N822 VanDerWaalsContact O-CG 3.27Å; R818-N822 PolarHBondContact O-N 3.37Å; R818-N822 PolarHBondContact O-ND2 3.25Å
819Q32.4Very low39.7Very low134 Ų134118 Ų11863%0.62661%0.611SS**Hα-helixtrans-78.9-37.1177.7-74.5-179.6-38.900112.4V816 N822 Q823V816-Q819 PolarHBondContact O-N 3.21Å; Q819-N822 PolarHBondContact O-N 2.94Å; Q819-Q823 PolarHBondContact O-N 2.75Å
820L31.4Very low41.7Very low121 Ų121111.6 Ų111.663%0.63458%0.576SS**Hα-helixtrans-61.8-46.9173.1-80.3146.4000111.9N822 Q823 Q824L820-N822 VanDerWaalsContact C-N 3.33Å; L820-N822 PolarHBondContact O-N 3.25Å; L820-Q823 PolarHBondContact O-N 3.22Å; L820-Q824 PolarHBondContact O-N 2.71Å; L820-Q824 VanDerWaalsContact O-N 3.13Å
821T31.8Very low43.7Very low60 Ų60106.4 Ų106.437%0.36855%0.55SS.*Hα-helixtrans-65.6-32.6176350000112.7K817 R818 Q824 L825K817-T821 PolarHBondContact O-OG1 3.2Å; R818-T821 WeakPolarHBondContact CA-OG1 3.4Å; R818-T821 PolarHBondContact O-OG1 2.96Å; T821-Q824 PolarHBondContact O-N 3.46Å; T821-L825 WeakPolarHBondContact O-CD1 3.39Å; T821-L825 PolarHBondContact O-N 2.73Å
822N34.8Very low45.8Very low98 Ų98103 Ų10352%0.52453%0.531SS..Hα-helixtrans-66.4-32.8172.6-83.3-18.4000113.6R818 Q819 L820 N826R818-N822 WeakPolarHBondContact O-CB 3.17Å; R818-N822 VanDerWaalsContact O-CG 3.27Å; R818-N822 PolarHBondContact O-N 3.37Å; R818-N822 PolarHBondContact O-ND2 3.25Å; Q819-N822 PolarHBondContact O-N 2.94Å; L820-N822 VanDerWaalsContact C-N 3.33Å; L820-N822 PolarHBondContact O-N 3.25Å; N822-N826 PolarHBondContact O-N 3.11Å
823Q37.5Very low48.3Very low149 Ų149101.6 Ų101.670%0.69651%0.511SS*.Hα-helixtrans-71.5-35.5171.6-73.2-170.9-11.100111.8Q819 L820 N826 W827Q819-Q823 PolarHBondContact O-N 2.75Å; L820-Q823 PolarHBondContact O-N 3.22Å; Q823-N826 PolarHBondContact O-N 3.3Å; Q823-W827 PolarHBondContact O-N 2.92Å
824Q35.8Very low50.7Low101 Ų10195.1 Ų95.147%0.47247%0.467SS..Hα-helixtrans-64.1-50.3174.3-71.3175.1-55.300111.8L820 T821 N826 W827 E828L820-Q824 PolarHBondContact O-N 2.71Å; L820-Q824 VanDerWaalsContact O-N 3.13Å; T821-Q824 PolarHBondContact O-N 3.46Å; Q824-N826 PolarHBondContact O-N 2.8Å; Q824-W827 PolarHBondContact O-N 3.14Å; Q824-W827 PolarHBondContact O-NE1 2.83Å; Q824-E828 WeakPolarHBondContact O-CG 3.37Å; Q824-E828 PolarHBondContact O-N 3.22Å; Q824-E828 VanDerWaalsContact O-N 3.1Å
825L44.6Very low53.2Low73 Ų7393.7 Ų93.738%0.38246%0.455SS..Hα-helixtrans-56.4-26.3174.2-101.473.9000113.8T821 K829T821-L825 WeakPolarHBondContact O-CD1 3.39Å; T821-L825 PolarHBondContact O-N 2.73Å; L825-K829 WeakPolarHBondContact O-CB 3.35Å; L825-K829 WeakPolarHBondContact O-CD 3.43Å; L825-K829 WeakPolarHBondContact O-CG 3.34Å; L825-K829 PolarHBondContact O-N 3.01Å; L825-K829 VanDerWaalsContact O-N 3.14Å
826N64.8Low55.6Low78 Ų7894.4 Ų94.442%0.41746%0.456SS..Hα-helixtrans-74.2-47.8179.5-167.95.4000111.6N822 Q823 Q824 E828 K829 K830N822-N826 PolarHBondContact O-N 3.11Å; Q823-N826 PolarHBondContact O-N 3.3Å; Q824-N826 PolarHBondContact O-N 2.8Å; N826-E828 VanDerWaalsContact C-N 3.35Å; N826-K829 PolarHBondContact O-N 3.28Å; N826-K830 WeakPolarHBondContact O-CG 3.49Å; N826-K830 PolarHBondContact O-N 2.97Å
827W64Low57.8Low145 Ų14589 Ų8955%0.54942%0.423SS..Hα-helixtrans-67.7-37176.978.6-102.2000111.5Q823 Q824 K830 S831Q823-W827 PolarHBondContact O-N 2.92Å; Q824-W827 PolarHBondContact O-N 3.14Å; Q824-W827 PolarHBondContact O-NE1 2.83Å; W827-K830 PolarHBondContact O-N 2.76Å; W827-S831 WeakPolarHBondContact O-CB 3.43Å; W827-S831 PolarHBondContact O-N 3.06Å; W827-S831 PolarHBondContact O-OG 2.86Å
828E68.1Low60.3Low79 Ų7981.3 Ų81.337%0.36939%0.391SS..Hα-helixtrans-58.4-50.4175-71.4171.5169.600111.3Q824 N826 K830 S831 I832Q824-E828 WeakPolarHBondContact O-CG 3.37Å; Q824-E828 PolarHBondContact O-N 3.22Å; Q824-E828 VanDerWaalsContact O-N 3.1Å; N826-E828 VanDerWaalsContact C-N 3.35Å; E828-K830 PolarHBondContact O-N 3.27Å; E828-S831 PolarHBondContact O-N 3.03Å; E828-I832 VanDerWaalsContact O-CG1 3.31Å; E828-I832 WeakPolarHBondContact O-CG1 3.28Å; E828-I832 PolarHBondContact O-N 3.46Å
829K74.7Confident62.7Low128 Ų12881.5 Ų81.556%0.55740%0.396SS*.Hα-helixtrans-59.5-44.2176.1-75.3170.2-175179.30112.1L825 N826 I832 V833L825-K829 WeakPolarHBondContact O-CB 3.35Å; L825-K829 WeakPolarHBondContact O-CD 3.43Å; L825-K829 WeakPolarHBondContact O-CG 3.34Å; L825-K829 PolarHBondContact O-N 3.01Å; L825-K829 VanDerWaalsContact O-N 3.14Å; N826-K829 PolarHBondContact O-N 3.28Å; K829-I832 PolarHBondContact O-N 3.13Å; K829-V833 WeakPolarHBondContact O-CG2 3.31Å; K829-V833 PolarHBondContact O-N 3.2Å
830K76.1Confident64.9Low13 Ų1379.8 Ų79.86%0.05739%0.386CS..Hα-helixtrans-64.6-39176.9-72.1-165.9173.4-151.80112.4A784 E785 N826 W827 E828 A834 N1287A784-K830 HydrophobicContact CB-CB 3.92Å; A784-K830 HydrophobicContact CB-CD 4.32Å; A784-K830 HydrophobicContact CB-CG 3.94Å; E785-K830 WeakPolarHBondContact OE1-CE 3.5Å; E785-K830 IonicContact OE1-NZ 2.68Å; E785-K830 PolarHBondContact OE1-NZ 2.88Å; N826-K830 WeakPolarHBondContact O-CG 3.49Å; N826-K830 PolarHBondContact O-N 2.97Å; W827-K830 PolarHBondContact O-N 2.76Å; E828-K830 PolarHBondContact O-N 3.27Å; K830-A834 WeakPolarHBondContact O-CB 3.37Å; K830-A834 PolarHBondContact O-N 3.42Å; K830-N1287 WeakPolarHBondContact CD-ND2 3.28Å
831S73.1Confident67.2Low29 Ų2974 Ų7420%0.20336%0.357CS..Hα-helixtrans-65.5-41174.3-71.40000112.6W827 E828 A834 L835W827-S831 WeakPolarHBondContact O-CB 3.43Å; W827-S831 PolarHBondContact O-N 3.06Å; W827-S831 PolarHBondContact O-OG 2.86Å; E828-S831 PolarHBondContact O-N 3.03Å; S831-A834 PolarHBondContact O-N 2.91Å; S831-L835 WeakPolarHBondContact O-CB 3.34Å; S831-L835 VanDerWaalsContact O-CG 3.25Å; S831-L835 WeakPolarHBondContact O-CG 3.4Å; S831-L835 PolarHBondContact O-N 3.02Å
832I76.9Confident69.2Low97 Ų9776.8 Ų76.850%0.49737%0.365SS..Hα-helixtrans-62.2-50.6175.1-68.3162.7000110.3E828 K829 A834 L835 E836E828-I832 VanDerWaalsContact O-CG1 3.31Å; E828-I832 WeakPolarHBondContact O-CG1 3.28Å; E828-I832 PolarHBondContact O-N 3.46Å; K829-I832 PolarHBondContact O-N 3.13Å; I832-A834 VanDerWaalsContact C-N 3.31Å; I832-A834 PolarHBondContact O-N 3.06Å; I832-L835 PolarHBondContact O-N 2.86Å; I832-E836 PolarHBondContact O-N 2.85Å
833V80.3Confident70.9Confident29 Ų2977.7 Ų77.718%0.17637%0.366CS..Hα-helixtrans-60.3-40.7177.1171.80000111.5A784 F787 K829 E836 A837A784-V833 HydrophobicContact CB-CB 4.43Å; A784-V833 HydrophobicContact CB-CG1 4.21Å; A784-V833 WeakPolarHBondContact O-CG1 3.22Å; F787-V833 HydrophobicContact CB-CG1 3.93Å; K829-V833 WeakPolarHBondContact O-CG2 3.31Å; K829-V833 PolarHBondContact O-N 3.2Å; V833-E836 PolarHBondContact O-N 2.93Å; V833-A837 VanDerWaalsContact O-CB 3.3Å; V833-A837 WeakPolarHBondContact O-CB 2.93Å; V833-A837 PolarHBondContact O-N 2.98Å
834A78.8Confident72.5Confident0 Ų070.8 Ų70.80%033%0.334CS..Hα-helixtrans-68.5-33.3177.400000113.3I777 L780 I781 K830 S831 I832 A837 L838I777-A834 HydrophobicContact CD1-CB 3.96Å; L780-A834 HydrophobicContact CB-CB 3.99Å; I781-A834 HydrophobicContact CB-CB 4.28Å; I781-A834 HydrophobicContact CG1-CB 3.48Å; I781-A834 VanDerWaalsContact CG1-CB 3.48Å; K830-A834 WeakPolarHBondContact O-CB 3.37Å; K830-A834 PolarHBondContact O-N 3.42Å; S831-A834 PolarHBondContact O-N 2.91Å; I832-A834 VanDerWaalsContact C-N 3.31Å; I832-A834 PolarHBondContact O-N 3.06Å; A834-A837 PolarHBondContact O-N 2.72Å; A834-L838 WeakPolarHBondContact O-CB 3.26Å; A834-L838 PolarHBondContact O-N 2.92Å
835L81.1Confident74.9Confident91 Ų9166.3 Ų66.348%0.47631%0.313SS..Hα-helixtrans-72.4-36.4173.5-74168.7000112I777 S831 I832 K839I777-L835 HydrophobicContact CD1-CD2 4.31Å; S831-L835 WeakPolarHBondContact O-CB 3.34Å; S831-L835 VanDerWaalsContact O-CG 3.25Å; S831-L835 WeakPolarHBondContact O-CG 3.4Å; S831-L835 PolarHBondContact O-N 3.02Å; I832-L835 PolarHBondContact O-N 2.86Å; L835-K839 WeakPolarHBondContact O-CG 3.44Å; L835-K839 PolarHBondContact O-N 2.84Å
836E81.7Confident77Confident94 Ų9463.1 Ų63.144%0.43930%0.296SS..Hα-helixtrans-66.5-40.2169.6-75.3-169.9-158.500112.5I832 V833 K839 K840I832-E836 PolarHBondContact O-N 2.85Å; V833-E836 PolarHBondContact O-N 2.93Å; E836-K839 PolarHBondContact O-N 3Å; E836-K840 WeakPolarHBondContact O-CD 3.16Å; E836-K840 VanDerWaalsContact O-CG 3.3Å; E836-K840 WeakPolarHBondContact O-CG 3.32Å; E836-K840 PolarHBondContact O-N 3.28Å; E836-K840 IonicContact OE2-NZ 2.66Å; E836-K840 PolarHBondContact OE2-NZ 3.33Å
837A82.3Confident78.1Confident2 Ų260.5 Ų60.52%0.01729%0.288CS..Hα-helixtrans-61.2-47.2173.300000110.8L780 F787 V833 A834 K839 K840 V841L780-A837 HydrophobicContact CD1-CB 4.17Å; L780-A837 HydrophobicContact CD2-CB 4.08Å; F787-A837 HydrophobicContact CB-CB 3.81Å; F787-A837 HydrophobicContact CD1-CB 3.52Å; F787-A837 HydrophobicContact CE1-CB 4.31Å; F787-A837 HydrophobicContact CG-CB 3.74Å; V833-A837 VanDerWaalsContact O-CB 3.3Å; V833-A837 WeakPolarHBondContact O-CB 2.93Å; V833-A837 PolarHBondContact O-N 2.98Å; A834-A837 PolarHBondContact O-N 2.72Å; A837-K839 PolarHBondContact O-N 3.02Å; A837-K840 WeakPolarHBondContact O-CB 3.38Å; A837-K840 PolarHBondContact O-N 2.94Å; A837-V841 WeakPolarHBondContact O-CB 3.37Å; A837-V841 WeakPolarHBondContact O-CG2 3.15Å; A837-V841 PolarHBondContact O-N 3.01Å
838L84.5Confident79.3Confident35 Ų3557.8 Ų57.818%0.18329%0.288CS..Hα-helixtrans-59.4-46177.8-173.968.8000110.9L776 I777 L780 A834 K840 V841 Q842L776-L838 HydrophobicContact CD2-CD1 3.81Å; L776-L838 HydrophobicContact CG-CD1 4.27Å; I777-L838 HydrophobicContact CB-CD2 4.36Å; I777-L838 HydrophobicContact CD1-CB 4.29Å; I777-L838 HydrophobicContact CD1-CD2 4.17Å; I777-L838 HydrophobicContact CG1-CD2 4.47Å; L780-L838 HydrophobicContact CD1-CB 3.85Å; L780-L838 HydrophobicContact CD1-CD1 3.97Å; A834-L838 WeakPolarHBondContact O-CB 3.26Å; A834-L838 PolarHBondContact O-N 2.92Å; L838-K840 PolarHBondContact O-N 2.82Å; L838-V841 PolarHBondContact O-N 3.01Å; L838-Q842 HydrophobicContact CD1-CB 4.39Å; L838-Q842 HydrophobicContact CG-CB 4.44Å; L838-Q842 WeakPolarHBondContact O-CB 3.19Å; L838-Q842 PolarHBondContact O-N 3Å
839K82.3Confident80.5Confident156 Ų15654.5 Ų54.568%0.67827%0.273SS*.Hα-helixtrans-59.1-28.1176-75171.7-178.8176.90113.9L835 E836 A837L835-K839 WeakPolarHBondContact O-CG 3.44Å; L835-K839 PolarHBondContact O-N 2.84Å; E836-K839 PolarHBondContact O-N 3Å; A837-K839 PolarHBondContact O-N 3.02Å
840K79.4Confident81.4Confident97 Ų9748.9 Ų48.942%0.42225%0.248SC..Hα-helixtrans-81.5-44175.8-66.7160.9-169.5164.70111.4E836 A837 L838E836-K840 WeakPolarHBondContact O-CD 3.16Å; E836-K840 VanDerWaalsContact O-CG 3.3Å; E836-K840 WeakPolarHBondContact O-CG 3.32Å; E836-K840 PolarHBondContact O-N 3.28Å; E836-K840 IonicContact OE2-NZ 2.66Å; E836-K840 PolarHBondContact OE2-NZ 3.33Å; A837-K840 WeakPolarHBondContact O-CB 3.38Å; A837-K840 PolarHBondContact O-N 2.94Å; L838-K840 PolarHBondContact O-N 2.82Å
841V78Confident82.3Confident1 Ų148.2 Ų48.21%0.00625%0.245CC..Hα-helixtrans-81.6-35.8-174176.90000113.1D749 L776 F787 A837 L838 Q843 S844 W845D749-V841 HydrophobicContact CB-CG2 4.45Å; L776-V841 HydrophobicContact CD2-CG1 4.04Å; F787-V841 HydrophobicContact CE1-CG2 4.43Å; A837-V841 WeakPolarHBondContact O-CB 3.37Å; A837-V841 WeakPolarHBondContact O-CG2 3.15Å; A837-V841 PolarHBondContact O-N 3.01Å; L838-V841 PolarHBondContact O-N 3.01Å; V841-Q843 PolarHBondContact O-N 3.36Å; V841-S844 PolarHBondContact O-N 2.78Å; V841-S844 PolarHBondContact O-OG 3.04Å; V841-W845 HydrophobicContact CG1-CB 4.07Å; V841-W845 HydrophobicContact CG1-CD2 3.89Å; V841-W845 HydrophobicContact CG1-CE3 3.35Å; V841-W845 HydrophobicContact CG1-CG 4.24Å; V841-W845 HydrophobicContact CG1-CZ3 4Å; V841-W845 WeakPolarHBondContact O-CB 3.42Å; V841-W845 PolarHBondContact O-N 3.45Å
842Q75.3Confident83.4Confident117 Ų11746.9 Ų46.955%0.54724%0.236SC..THydrogen-bonded Turntrans-64.1-13.6-176.5-172.4179.812.600114.2L838 S844L838-Q842 HydrophobicContact CD1-CB 4.39Å; L838-Q842 HydrophobicContact CG-CB 4.44Å; L838-Q842 WeakPolarHBondContact O-CB 3.19Å; L838-Q842 PolarHBondContact O-N 3Å; Q842-S844 VanDerWaalsContact C-N 3.33Å
843Q70.9Confident84.3Confident118 Ų11842.2 Ų42.255%0.55121%0.212SC*.THydrogen-bonded Turntrans-66.4-39.5172.9-60.8-169.59.800111.1V841V841-Q843 PolarHBondContact O-N 3.36Å
844S70.3Confident84.9Confident3 Ų342.1 Ų42.12%0.02121%0.211CC..THydrogen-bonded Turntrans-100.6-28.8-176.663.80000114.7S720 V841 Q842S720-S844 WeakPolarHBondContact O-CA 3.37Å; S720-S844 WeakPolarHBondContact O-CB 3.38Å; V841-S844 PolarHBondContact O-N 2.78Å; V841-S844 PolarHBondContact O-OG 3.04Å; Q842-S844 VanDerWaalsContact C-N 3.33Å
845W85.4Confident85.5Confident7 Ų742.1 Ų42.13%0.02721%0.211CC..SBendtrans-68.8144.5-170.1-152-91.9000113.5E745 L748 F752 L776 V841 G847 K849 V851E745-W845 HydrophobicContact CB-CH2 3.74Å; E745-W845 HydrophobicContact CB-CZ2 4.41Å; E745-W845 HydrophobicContact CB-CZ3 4.45Å; E745-W845 HydrophobicContact CG-CH2 3.59Å; E745-W845 HydrophobicContact CG-CZ2 3.75Å; E745-W845 WeakPolarHBondContact OE1-CZ2 3.24Å; L748-W845 HydrophobicContact CB-CE3 3.75Å; L748-W845 HydrophobicContact CB-CZ3 3.83Å; L748-W845 HydrophobicContact CD1-CD2 4.11Å; L748-W845 HydrophobicContact CD1-CE3 3.88Å; L748-W845 HydrophobicContact CD1-CZ3 4.21Å; L748-W845 HydrophobicContact CG-CE3 4.49Å; F752-W845 AromaticContact CD1-CH2 3.65Å; F752-W845 HydrophobicContact CD1-CH2 3.65Å; F752-W845 HydrophobicContact CD1-CZ2 4.46Å; F752-W845 HydrophobicContact CD1-CZ3 4.45Å; F752-W845 AromaticContact CD2-CH2 3.87Å; F752-W845 HydrophobicContact CD2-CH2 3.87Å; F752-W845 AromaticContact CD2-CZ3 3.84Å; F752-W845 HydrophobicContact CD2-CZ3 3.84Å; F752-W845 AromaticContact CE1-CH2 3.62Å; F752-W845 HydrophobicContact CE1-CH2 3.62Å; F752-W845 HydrophobicContact CE1-CZ2 4.18Å; F752-W845 HydrophobicContact CE1-CZ3 4.41Å; F752-W845 AromaticContact CE2-CH2 3.84Å; F752-W845 HydrophobicContact CE2-CH2 3.84Å; F752-W845 AromaticContact CE2-CZ3 3.79Å; F752-W845 HydrophobicContact CE2-CZ3 3.79Å; F752-W845 AromaticContact CG-CH2 3.78Å; F752-W845 HydrophobicContact CG-CH2 3.78Å; F752-W845 HydrophobicContact CG-CZ3 4.18Å; F752-W845 AromaticContact CZ-CH2 3.72Å; F752-W845 HydrophobicContact CZ-CH2 3.72Å; F752-W845 HydrophobicContact CZ-CZ2 4.4Å; F752-W845 HydrophobicContact CZ-CZ3 4.1Å; L776-W845 HydrophobicContact CD1-CD2 4.25Å; L776-W845 HydrophobicContact CD1-CH2 4.22Å; L776-W845 HydrophobicContact CD1-CZ2 3.72Å; L776-W845 HydrophobicContact CD2-CB 4.23Å; L776-W845 HydrophobicContact CD2-CD2 3.95Å; L776-W845 HydrophobicContact CD2-CG 3.72Å; V841-W845 HydrophobicContact CG1-CB 4.07Å; V841-W845 HydrophobicContact CG1-CD2 3.89Å; V841-W845 HydrophobicContact CG1-CE3 3.35Å; V841-W845 HydrophobicContact CG1-CG 4.24Å; V841-W845 HydrophobicContact CG1-CZ3 4Å; V841-W845 WeakPolarHBondContact O-CB 3.42Å; V841-W845 PolarHBondContact O-N 3.45Å; W845-G847 VanDerWaalsContact C-N 3.27Å; W845-G847 PolarHBondContact O-N 3Å; W845-K849 PolarHBondContact NE1-O 2.86Å; W845-V851 HydrophobicContact CZ2-CG2 4.29Å
846W89.2Confident85.8Confident7 Ų741.3 Ų41.33%0.02720%0.204CC..SBendtrans-9054-172.1-58.9-11.6000112.7H582 M680 L689 I723 L725 Q729 A730 I744 L748 V851H582-W846 AromaticContact CD2-CH2 3.48Å; H582-W846 VanDerWaalsContact CD2-CH2 3.48Å; H582-W846 WeakPolarHBondContact CD2-CH2 3.4Å; H582-W846 AromaticContact NE2-CH2 3.39Å; H582-W846 WeakPolarHBondContact NE2-CH2 3.47Å; H582-W846 AromaticContact NE2-CZ2 3.6Å; M680-W846 HydrophobicContact CE-CE3 4.48Å; M680-W846 HydrophobicContact CE-CZ3 4.1Å; L689-W846 HydrophobicContact CD1-CH2 3.94Å; L689-W846 HydrophobicContact CD1-CZ2 4.36Å; I723-W846 HydrophobicContact CG2-CZ2 4.19Å; I723-W846 PolarHBondContact O-NE1 3.35Å; L725-W846 HydrophobicContact CD1-CD2 3.65Å; L725-W846 HydrophobicContact CD1-CE3 3.55Å; L725-W846 HydrophobicContact CD1-CG 4.25Å; L725-W846 HydrophobicContact CD1-CH2 4.03Å; L725-W846 HydrophobicContact CD1-CZ2 4.15Å; L725-W846 HydrophobicContact CD1-CZ3 3.73Å; L725-W846 HydrophobicContact CG-CD2 4.07Å; L725-W846 HydrophobicContact CG-CE3 4.43Å; L725-W846 HydrophobicContact CG-CG 4.45Å; L725-W846 HydrophobicContact CG-CZ2 4.2Å; Q729-W846 CarbonylContact C-O 3.17Å; Q729-W846 WeakPolarHBondContact CA-O 3.5Å; Q729-W846 PolarHBondContact NE2-O 3.36Å; A730-W846 HydrophobicContact CB-CB 3.76Å; A730-W846 HydrophobicContact CB-CD2 4.4Å; A730-W846 HydrophobicContact CB-CE3 3.78Å; A730-W846 HydrophobicContact CB-CG 4.46Å; A730-W846 PolarHBondContact N-O 2.79Å; I744-W846 HydrophobicContact CD1-CH2 4.32Å; I744-W846 HydrophobicContact CD1-CZ3 3.71Å; I744-W846 HydrophobicContact CG2-CE3 4.33Å; I744-W846 HydrophobicContact CG2-CH2 3.92Å; I744-W846 HydrophobicContact CG2-CZ2 4.49Å; I744-W846 HydrophobicContact CG2-CZ3 3.84Å; L748-W846 HydrophobicContact CD2-CZ2 4.36Å; W846-V851 HydrophobicContact CB-CG2 4.28Å; W846-V851 HydrophobicContact CE3-CG1 4.28Å
847G88.8Confident85.6Confident23 Ų2337.1 Ų37.124%0.23719%0.185CC..SBendtrans119.6-171.8175.400000114.4D728 W845D728-G847 WeakPolarHBondContact O-CA 3.47Å; W845-G847 VanDerWaalsContact C-N 3.27Å; W845-G847 PolarHBondContact O-N 3Å
848P89.1Confident85.2Confident87 Ų8740.1 Ų40.157%0.56521%0.205SC*.SBendtrans-78.1-14.8-179.830.4-37.2000115.8L776L776-P848 VanDerWaalsContact CB-O 3.29Å; L776-P848 WeakPolarHBondContact CB-O 3.25Å; L776-P848 PolarHBondContact N-O 2.82Å
849K92.4Very high84.4Confident11 Ų1144.7 Ų44.75%0.04823%0.225CC..BIsolated β-bridgetrans-107.1163.9-176.8-67.7169.8-180164.40112.3Q729 Y731 T774 W845 D893Q729-K849 HydrophobicContact CG-CB 4.48Å; Q729-K849 PolarHBondContact NE2-O 2.64Å; Q729-K849 VanDerWaalsContact NE2-O 3.11Å; Y731-K849 HydrophobicContact CE1-CD 4.2Å; T774-K849 CarbonylContact O-C 3.41Å; T774-K849 VanDerWaalsContact O-CA 3.29Å; T774-K849 WeakPolarHBondContact O-CA 3.35Å; T774-K849 VanDerWaalsContact O-CB 3.3Å; T774-K849 WeakPolarHBondContact O-CB 3.44Å; T774-K849 WeakPolarHBondContact OG1-CD 3.21Å; W845-K849 PolarHBondContact NE1-O 2.86Å; K849-D893 WeakPolarHBondContact CE-OD2 3.36Å; K849-D893 IonicContact NZ-OD2 3.39Å; K849-D893 PolarHBondContact NZ-OD2 2.84Å
850R93.6Very high83.6Confident9 Ų938.5 Ų38.53%0.03420%0.203CC..  trans-54.6152166.8-67.1-70.4-60.2-72.5-6.9110.9Q729 E745 S756 I758 T774 T779 Y853Q729-R850 PolarHBondContact NE2-O 2.6Å; E745-R850 WeakPolarHBondContact OE1-CB 3.33Å; E745-R850 IonicContact OE1-CZ 2.7Å; E745-R850 IonicContact OE1-NE 2.65Å; E745-R850 PolarHBondContact OE1-NE 2.8Å; E745-R850 IonicContact OE1-NH2 3.83Å; E745-R850 IonicContact OE2-CZ 3.76Å; E745-R850 IonicContact OE2-NE 3.62Å; E745-R850 PolarHBondContact OE2-NE 2.62Å; E745-R850 IonicContact OE2-NH2 2.86Å; E745-R850 PolarHBondContact OE2-NH2 2.68Å; S756-R850 PolarHBondContact O-NH2 2.97Å; I758-R850 HydrophobicContact CD1-CB 3.71Å; I758-R850 HydrophobicContact CD1-CG 3.84Å; I758-R850 HydrophobicContact CG1-CB 4.25Å; I758-R850 HydrophobicContact CG1-CG 4.42Å; T774-R850 PolarHBondContact O-N 3.15Å; T779-R850 WeakPolarHBondContact OG1-CD 3.13Å; T779-R850 PolarHBondContact OG1-NH1 3.13Å; R850-Y853 WeakPolarHBondContact O-CE2 3.5Å; R850-Y853 PolarHBondContact O-OH 2.93Å
851V94.5Very high83Confident0 Ų036.8 Ų36.80%020%0.197CC..  trans-105.5-39.3-173.6177.70000112.1N732 I744 E745 L748 W845 W846 Y853N732-V851 HydrophobicContact CB-CG1 4.14Å; N732-V851 WeakPolarHBondContact CB-O 3.19Å; N732-V851 PolarHBondContact N-O 3.1Å; I744-V851 HydrophobicContact CB-CG1 4.31Å; I744-V851 HydrophobicContact CD1-CG1 4.39Å; I744-V851 HydrophobicContact CG2-CG1 4.46Å; E745-V851 HydrophobicContact CG-CB 3.93Å; E745-V851 PolarHBondContact OE1-N 3.25Å; L748-V851 HydrophobicContact CD1-CG2 4.32Å; W845-V851 HydrophobicContact CZ2-CG2 4.29Å; W846-V851 HydrophobicContact CB-CG2 4.28Å; W846-V851 HydrophobicContact CE3-CG1 4.28Å; V851-Y853 WeakPolarHBondContact O-CD2 3.33Å; V851-Y853 WeakPolarHBondContact O-CE2 3.49Å
852D95.9Very high82.7Confident0 Ų040.8 Ų40.80%022%0.216CC..EExtended strand (participates in β ladder)trans-89.4123.7-176.3-73-31000112.3N732 F734 R743 I744 E745 P757 I758N732-D852 PolarHBondContact ND2-OD1 3.27Å; F734-D852 HydrophobicContact CE1-CB 3.9Å; F734-D852 HydrophobicContact CZ-CB 4.2Å; R743-D852 VanDerWaalsContact CB-OD2 3.31Å; R743-D852 WeakPolarHBondContact CB-OD2 3.41Å; R743-D852 WeakPolarHBondContact CG-OD2 3.3Å; R743-D852 IonicContact CZ-OD2 3.95Å; R743-D852 IonicContact NE-OD2 3.68Å; R743-D852 PolarHBondContact NE-OD2 2.75Å; R743-D852 IonicContact NH2-OD2 3Å; I744-D852 PolarHBondContact N-OD1 3.1Å; I744-D852 PolarHBondContact N-OD2 2.9Å; I744-D852 VanDerWaalsContact N-OD2 3.16Å; E745-D852 WeakPolarHBondContact CB-OD2 3.32Å; E745-D852 HydrophobicContact CG-CB 3.96Å; E745-D852 WeakPolarHBondContact CG-OD2 3.46Å; E745-D852 PolarHBondContact N-OD2 2.98Å; E745-D852 PolarHBondContact OE1-N 3.05Å; P757-D852 WeakPolarHBondContact CA-O 3.3Å; P757-D852 HydrophobicContact CB-CB 4.01Å; P757-D852 HydrophobicContact CG-CB 4.31Å; I758-D852 PolarHBondContact N-O 3.45Å
853Y96Very high82.4Confident0 Ų038 Ų380%021%0.205CC..EExtended strand (participates in β ladder)trans-127.2126.4179-62.8-94.2000111.8Y731 N732 L733 F734 I758 I760 T774 R850 V851 F886Y731-Y853 HydrophobicContact CD1-CD2 4.29Å; Y731-Y853 AromaticContact CD1-CE2 3.57Å; Y731-Y853 HydrophobicContact CD1-CE2 3.57Å; Y731-Y853 AromaticContact CD1-CZ 3.92Å; Y731-Y853 HydrophobicContact CE1-CE2 4.5Å; Y731-Y853 HydrophobicContact CG-CE2 4.35Å; N732-Y853 PolarHBondContact O-N 3.22Å; L733-Y853 WeakPolarHBondContact CA-O 3.37Å; F734-Y853 PolarHBondContact N-O 3.08Å; F734-Y853 VanDerWaalsContact N-O 3.09Å; I758-Y853 HydrophobicContact CB-CD1 3.67Å; I758-Y853 HydrophobicContact CB-CE1 3.76Å; I758-Y853 HydrophobicContact CD1-CE1 3.98Å; I758-Y853 HydrophobicContact CG1-CE1 4.34Å; I758-Y853 HydrophobicContact CG2-CD1 3.8Å; I758-Y853 HydrophobicContact CG2-CE1 3.85Å; I758-Y853 CarbonylContact O-C 3.52Å; I758-Y853 VanDerWaalsContact O-CA 3.22Å; I758-Y853 WeakPolarHBondContact O-CA 3.43Å; I760-Y853 HydrophobicContact CG1-CD1 4.47Å; T774-Y853 HydrophobicContact CG2-CE1 3.94Å; R850-Y853 WeakPolarHBondContact O-CE2 3.5Å; R850-Y853 PolarHBondContact O-OH 2.93Å; V851-Y853 WeakPolarHBondContact O-CD2 3.33Å; V851-Y853 WeakPolarHBondContact O-CE2 3.49Å; Y853-F886 AromaticContact CD1-CE2 3.57Å; Y853-F886 HydrophobicContact CD1-CE2 3.57Å; Y853-F886 AromaticContact CD1-CZ 3.55Å; Y853-F886 HydrophobicContact CD1-CZ 3.55Å; Y853-F886 HydrophobicContact CD2-CZ 4.16Å; Y853-F886 AromaticContact CE1-CE2 3.52Å; Y853-F886 HydrophobicContact CE1-CE2 3.52Å; Y853-F886 AromaticContact CE1-CZ 3.45Å; Y853-F886 HydrophobicContact CE1-CZ 3.45Å; Y853-F886 VanDerWaalsContact CE1-CZ 3.45Å; Y853-F886 HydrophobicContact CE2-CZ 4.1Å; Y853-F886 HydrophobicContact CG-CE2 4.33Å; Y853-F886 AromaticContact CG-CZ 3.93Å; Y853-F886 HydrophobicContact CG-CZ 3.93Å; Y853-F886 AromaticContact CZ-CZ 3.76Å
854N93.8Very high82.3Confident27 Ų2734.7 Ų34.714%0.14419%0.19CC..EExtended strand (participates in β ladder)trans-90.9121.3177.9175.932.9000110.9F734 L736 P757 I758 I760F734-N854 CarbonylContact O-C 3.51Å; F734-N854 WeakPolarHBondContact O-CA 3.39Å; L736-N854 WeakPolarHBondContact CD1-ND2 3.28Å; L736-N854 WeakPolarHBondContact CG-OD1 3.48Å; L736-N854 PolarHBondContact N-OD1 2.95Å; P757-N854 HydrophobicContact CB-CB 4.27Å; I758-N854 PolarHBondContact O-N 3.37Å; I760-N854 PolarHBondContact N-O 3.2Å
855V92Very high82.2Confident0 Ų039.8 Ų39.80%022%0.217CC..  trans-87.3136.8174.4-169.80000109.7L733 F734 H735 I760 C857 Y877 V883L733-V855 HydrophobicContact CB-CG2 4.1Å; F734-V855 PolarHBondContact O-N 2.98Å; H735-V855 PolarHBondContact CE1-O 2.67Å; H735-V855 PolarHBondContact ND1-O 2.98Å; H735-V855 WeakPolarHBondContact NE2-CG1 3.5Å; I760-V855 HydrophobicContact CD1-CG2 4.09Å; V855-C857 PolarHBondContact O-N 3.07Å; V855-C857 VanDerWaalsContact O-N 3.12Å; V855-Y877 HydrophobicContact CB-CE1 4.42Å; V855-Y877 HydrophobicContact CG2-CD1 4.42Å; V855-Y877 HydrophobicContact CG2-CE1 3.99Å; V855-V883 HydrophobicContact CG1-CG2 3.88Å; V855-V883 HydrophobicContact CG2-CG2 4.12Å
856H86.3Confident81.4Confident73 Ų7341.7 Ų41.734%0.33823%0.234SC..  trans-65.8114.3-179.5179.964.6000112.3H735 Q762H735-H856 PolarHBondContact CE1-O 2.83Å; H735-H856 VanDerWaalsContact CE1-O 3.28Å; H735-H856 PolarHBondContact NE2-O 2.95Å; Q762-H856 HydrophobicContact CG-CB 4.15Å; Q762-H856 PolarHBondContact NE2-CD2 3.49Å; Q762-H856 PolarHBondContact NE2-CE1 2.7Å; Q762-H856 PolarHBondContact NE2-ND1 2.82Å; Q762-H856 PolarHBondContact NE2-NE2 3.27Å
857C77.8Confident80.3Confident7 Ų745.2 Ų45.25%0.04725%0.247CC..  trans-94121.7170.8-171.40000110.3H735 T737 V855 M861 Q862H735-C857 HydrophobicContact CB-CB 4.21Å; H735-C857 WeakPolarHBondContact CE1-CA 3.36Å; H735-C857 WeakPolarHBondContact CE1-CB 3.45Å; H735-C857 PolarHBondContact CE1-N 3.35Å; T737-C857 PolarHBondContact OG1-SG 2.88Å; V855-C857 PolarHBondContact O-N 3.07Å; V855-C857 VanDerWaalsContact O-N 3.12Å; C857-M861 VanDerWaalsContact SG-CB 3.6Å; C857-Q862 HydrophobicContact CB-CG 4.36Å; C857-Q862 PolarHBondContact O-NE2 2.91Å
858P73.5Confident79.5Confident65 Ų6546 Ų4642%0.42225%0.251SS..  trans-62143.5175.7-23.134.1000112.6A860 M861 Q862P858-A860 PolarHBondContact O-N 3.04Å; P858-A860 VanDerWaalsContact O-N 3.12Å; P858-M861 WeakPolarHBondContact O-CB 3.42Å; P858-M861 PolarHBondContact O-N 3.37Å; P858-Q862 PolarHBondContact O-N 3.02Å
859E68.5Low78.9Confident130 Ų13044.3 Ų44.361%0.60723%0.234SC*.Hα-helixtrans-46.9-43.4-179.7-170.8177.9-17200112.8M861 Q862 N863E859-M861 VanDerWaalsContact C-N 3.27Å; E859-M861 PolarHBondContact O-N 3.45Å; E859-Q862 WeakPolarHBondContact O-CB 3.5Å; E859-Q862 PolarHBondContact O-N 2.6Å; E859-N863 PolarHBondContact O-N 3.18Å; E859-N863 PolarHBondContact O-ND2 2.88Å
860A64.5Low78.3Confident26 Ų2644 Ų4422%0.21523%0.233CC..Hα-helixtrans-56.7-33.5176.700000114.5A376 P858A376-A860 HydrophobicContact CB-CB 3.84Å; P858-A860 PolarHBondContact O-N 3.04Å; P858-A860 VanDerWaalsContact O-N 3.12Å
861M66.4Low77.6Confident61 Ų6146 Ų4630%0.325%0.248SC..Hα-helixtrans-82.2-26177.5-60.9-64.896.200111.9C857 P858 E859 N863 I864 I872C857-M861 VanDerWaalsContact SG-CB 3.6Å; P858-M861 WeakPolarHBondContact O-CB 3.42Å; P858-M861 PolarHBondContact O-N 3.37Å; E859-M861 VanDerWaalsContact C-N 3.27Å; E859-M861 PolarHBondContact O-N 3.45Å; M861-N863 PolarHBondContact O-N 3.4Å; M861-I864 HydrophobicContact CE-CD1 3.62Å; M861-I864 PolarHBondContact O-N 2.73Å; M861-I864 HydrophobicContact SD-CD1 3.81Å; M861-I872 HydrophobicContact SD-CG2 3.79Å
862Q72.2Confident77.1Confident85 Ų8549.3 Ų49.340%0.39727%0.265SS..Hα-helixtrans-69.1-25.6174-50.1-173.620.600111.4T737 C857 P858 E859 R869T737-Q862 HydrophobicContact CG2-CB 4.17Å; T737-Q862 HydrophobicContact CG2-CG 3.86Å; C857-Q862 HydrophobicContact CB-CG 4.36Å; C857-Q862 PolarHBondContact O-NE2 2.91Å; P858-Q862 PolarHBondContact O-N 3.02Å; E859-Q862 WeakPolarHBondContact O-CB 3.5Å; E859-Q862 PolarHBondContact O-N 2.6Å; Q862-R869 PolarHBondContact O-NH2 3.48Å
863N70Confident76.7Confident59 Ų5949.5 Ų49.532%0.31627%0.266SS..THydrogen-bonded Turntrans-81.2-10.3177.2-63-26000114.7T375 E859 M861T375-N863 PolarHBondContact O-ND2 3.24Å; T375-N863 PolarHBondContact OG1-ND2 3.49Å; E859-N863 PolarHBondContact O-N 3.18Å; E859-N863 PolarHBondContact O-ND2 2.88Å; M861-N863 PolarHBondContact O-N 3.4Å
864I67.8Low76.3Confident48 Ų4850.1 Ų50.125%0.24627%0.269CS..SBendtrans-74.5143178.2-64.4178.4000109.6M861 A866 A868 R869 I872M861-I864 HydrophobicContact CE-CD1 3.62Å; M861-I864 PolarHBondContact O-N 2.73Å; M861-I864 HydrophobicContact SD-CD1 3.81Å; I864-A866 PolarHBondContact O-N 3.16Å; I864-A868 HydrophobicContact CG2-CB 3.98Å; I864-R869 HydrophobicContact CB-CG 4.49Å; I864-R869 VanDerWaalsContact O-CZ 3.25Å; I864-R869 PolarHBondContact O-NE 3.28Å; I864-R869 PolarHBondContact O-NH2 3.33Å; I864-I872 HydrophobicContact CD1-CD1 3.88Å; I864-I872 HydrophobicContact CG2-CD1 4.35Å
865L69.5Low76Confident111 Ų11151 Ų5158%0.58128%0.28SS*.  trans-39.7123.8168-75.3170.6000111.9E372 R867 A868E372-L865 WeakPolarHBondContact OE1-CD2 3.15Å; E372-L865 VanDerWaalsContact OE1-CG 3.3Å; E372-L865 WeakPolarHBondContact OE1-CG 3.38Å; L865-R867 PolarHBondContact O-N 2.8Å; L865-A868 PolarHBondContact O-N 3.47Å
866A68.3Low75.9Confident46 Ų4652 Ų5238%0.3829%0.287SS..G310 helixtrans-53.7-32.5-17400000113.7I864 A868 R869 P870I864-A866 PolarHBondContact O-N 3.16Å; A866-A868 VanDerWaalsContact C-N 3.27Å; A866-A868 PolarHBondContact O-N 3.03Å; A866-R869 PolarHBondContact O-N 3.09Å; A866-P870 WeakPolarHBondContact O-CD 3.29Å
867R66.5Low76.2Confident82 Ų8248.6 Ų48.631%0.30927%0.271SS..G310 helixtrans-66.3-22.1179-144.2176.2-150158.913.6114.3L519 R520 L865L519-R867 HydrophobicContact CD2-CG 3.94Å; L519-R867 PolarHBondContact O-NH1 3.2Å; R520-R867 PolarHBondContact O-NH1 3.49Å; L865-R867 PolarHBondContact O-N 2.8Å
868A70.2Confident76.9Confident40 Ų4048.4 Ų48.433%0.33127%0.269SS..G310 helixtrans-97.8-10.3178.300000113.5I864 L865 A866 S871 I872I864-A868 HydrophobicContact CG2-CB 3.98Å; L865-A868 PolarHBondContact O-N 3.47Å; A866-A868 VanDerWaalsContact C-N 3.27Å; A866-A868 PolarHBondContact O-N 3.03Å; A868-S871 PolarHBondContact O-OG 2.93Å; A868-I872 WeakPolarHBondContact O-CD1 3.2Å; A868-I872 WeakPolarHBondContact O-CG1 3.27Å
869R78Confident77.9Confident50 Ų5051.3 Ų51.319%0.18928%0.278CS..Hα-helixtrans-65.5-40.9-178.8-63.6-177.7-162.5159.27.2114.6T737 Q862 I864 A866 S871 I872 L873T737-R869 WeakPolarHBondContact O-CD 3.37Å; T737-R869 PolarHBondContact O-NH1 3.4Å; Q862-R869 PolarHBondContact O-NH2 3.48Å; I864-R869 HydrophobicContact CB-CG 4.49Å; I864-R869 VanDerWaalsContact O-CZ 3.25Å; I864-R869 PolarHBondContact O-NE 3.28Å; I864-R869 PolarHBondContact O-NH2 3.33Å; A866-R869 PolarHBondContact O-N 3.09Å; R869-S871 PolarHBondContact O-N 3.14Å; R869-I872 PolarHBondContact O-N 2.82Å; R869-L873 HydrophobicContact CB-CD1 3.9Å; R869-L873 HydrophobicContact CB-CG 4.34Å; R869-L873 VanDerWaalsContact O-CB 3.31Å; R869-L873 WeakPolarHBondContact O-CB 3.29Å; R869-L873 VanDerWaalsContact O-CG 3.29Å; R869-L873 WeakPolarHBondContact O-CG 3.38Å; R869-L873 PolarHBondContact O-N 3.48Å
870P79.5Confident79.1Confident5 Ų546 Ų463%0.03226%0.255CS..Hα-helixtrans-57.2-40.3-171.7-3137.6000115.3L448 L525 P739 A866 H874L448-P870 HydrophobicContact CD1-CB 4.22Å; L448-P870 HydrophobicContact CD1-CG 4.3Å; L525-P870 HydrophobicContact CD1-CG 4.17Å; P739-P870 HydrophobicContact CG-CG 3.8Å; A866-P870 WeakPolarHBondContact O-CD 3.29Å; P870-H874 WeakPolarHBondContact O-CB 3.29Å; P870-H874 PolarHBondContact O-N 3.17Å
871S79.6Confident80.5Confident51 Ų5149.5 Ų49.536%0.35727%0.265SS..Hα-helixtrans-74.7-41.7178.848.50000112.3A868 R869 H874 A875A868-S871 PolarHBondContact O-OG 2.93Å; R869-S871 PolarHBondContact O-N 3.14Å; S871-H874 PolarHBondContact O-N 2.77Å; S871-A875 PolarHBondContact O-N 2.75Å; S871-A875 VanDerWaalsContact O-N 3.11Å
872I83.5Confident81.8Confident70 Ų7047.7 Ų47.736%0.35926%0.257SS..Hα-helixtrans-63.7-43.9176.7-60.5173000110.8M861 I864 A868 R869 S876M861-I872 HydrophobicContact SD-CG2 3.79Å; I864-I872 HydrophobicContact CD1-CD1 3.88Å; I864-I872 HydrophobicContact CG2-CD1 4.35Å; A868-I872 WeakPolarHBondContact O-CD1 3.2Å; A868-I872 WeakPolarHBondContact O-CG1 3.27Å; R869-I872 PolarHBondContact O-N 2.82Å; I872-S876 PolarHBondContact O-N 2.95Å
873L86.7Confident82.9Confident4 Ų443.6 Ų43.62%0.02124%0.238CC..Hα-helixtrans-74.8-34.2-179.9-64179.8000112H735 D738 R869 S876 Y877H735-L873 HydrophobicContact CB-CD1 4.18Å; D738-L873 HydrophobicContact CB-CD1 3.72Å; R869-L873 HydrophobicContact CB-CD1 3.9Å; R869-L873 HydrophobicContact CB-CG 4.34Å; R869-L873 VanDerWaalsContact O-CB 3.31Å; R869-L873 WeakPolarHBondContact O-CB 3.29Å; R869-L873 VanDerWaalsContact O-CG 3.29Å; R869-L873 WeakPolarHBondContact O-CG 3.38Å; R869-L873 PolarHBondContact O-N 3.48Å; L873-S876 PolarHBondContact O-N 3.03Å; L873-S876 PolarHBondContact O-OG 2.95Å; L873-Y877 VanDerWaalsContact O-CD2 3.25Å; L873-Y877 WeakPolarHBondContact O-CD2 3.3Å; L873-Y877 WeakPolarHBondContact O-CE2 3.43Å; L873-Y877 PolarHBondContact O-N 3.09Å
874H88.2Confident84.2Confident13 Ų1340.8 Ų40.86%0.0622%0.223CC..Hα-helixtrans-55.8-51.7169.4171.2-84.6000111.5H443 G445 C446 D460 D574 P870 S871 S876 Y877 W878H443-H874 AromaticContact CE1-CE1 3.77Å; H443-H874 AromaticContact NE2-CE1 3.82Å; G445-H874 VanDerWaalsContact C-NE2 3.33Å; C446-H874 HydrophobicContact CB-CB 3.72Å; C446-H874 PolarHBondContact N-CD2 2.93Å; C446-H874 PolarHBondContact N-NE2 2.84Å; D460-H874 IonicContact OD2-CE1 3.3Å; D574-H874 IonicContact OD2-CD2 2.71Å; D574-H874 IonicContact OD2-CE1 3.54Å; D574-H874 IonicContact OD2-NE2 3.72Å; D574-H874 PolarHBondContact OD2-NE2 2.98Å; P870-H874 WeakPolarHBondContact O-CB 3.29Å; P870-H874 PolarHBondContact O-N 3.17Å; S871-H874 PolarHBondContact O-N 2.77Å; H874-S876 VanDerWaalsContact C-N 3.26Å; H874-S876 PolarHBondContact O-N 3.25Å; H874-Y877 WeakPolarHBondContact O-CD2 3.06Å; H874-Y877 PolarHBondContact O-N 3.3Å; H874-W878 AromaticContact CE1-NE1 3.43Å; H874-W878 PolarHBondContact CE1-NE1 3.37Å; H874-W878 AromaticContact ND1-NE1 3.73Å
875A86.3Confident85.4Confident46 Ų4638.5 Ų38.538%0.3821%0.211SC..Hα-helixtrans-58.4-39.1177.700000112.3S871 Y877 W878S871-A875 PolarHBondContact O-N 2.75Å; S871-A875 VanDerWaalsContact O-N 3.11Å; A875-Y877 VanDerWaalsContact C-N 3.25Å; A875-Y877 PolarHBondContact O-N 2.96Å; A875-W878 PolarHBondContact O-N 2.93Å; A875-W878 VanDerWaalsContact O-N 3.16Å
876S90.1Very high86.6Confident20 Ų2033.4 Ų33.414%0.1418%0.184CC..Hα-helixtrans-60.9-28.6-177.883.30000114.1I872 L873 H874 W878 E879 S880I872-S876 PolarHBondContact O-N 2.95Å; L873-S876 PolarHBondContact O-N 3.03Å; L873-S876 PolarHBondContact O-OG 2.95Å; H874-S876 VanDerWaalsContact C-N 3.26Å; H874-S876 PolarHBondContact O-N 3.25Å; S876-W878 VanDerWaalsContact C-N 3.26Å; S876-W878 PolarHBondContact O-N 3.12Å; S876-E879 PolarHBondContact O-N 2.89Å; S876-S880 WeakPolarHBondContact O-CB 3.47Å; S876-S880 PolarHBondContact O-N 3.29Å
877Y93.3Very high87.9Confident2 Ų231.2 Ų31.21%0.00817%0.166CC..Hα-helixtrans-66-28.4179.3-60.1-61000112.7L681 G682 H735 D738 V855 L873 H874 A875 V883L681-Y877 HydrophobicContact CB-CD2 3.97Å; L681-Y877 HydrophobicContact CB-CE2 4.44Å; L681-Y877 HydrophobicContact CB-CG 4.07Å; G682-Y877 WeakPolarHBondContact CA-OH 3.42Å; H735-Y877 AromaticContact CD2-CE1 3.5Å; H735-Y877 VanDerWaalsContact CD2-CE1 3.5Å; H735-Y877 WeakPolarHBondContact CD2-CE1 3.12Å; H735-Y877 AromaticContact CD2-CZ 3.57Å; H735-Y877 PolarHBondContact CD2-OH 2.85Å; H735-Y877 PolarHBondContact N-OH 3.36Å; D738-Y877 PolarHBondContact OD2-OH 3.46Å; V855-Y877 HydrophobicContact CB-CE1 4.42Å; V855-Y877 HydrophobicContact CG2-CD1 4.42Å; V855-Y877 HydrophobicContact CG2-CE1 3.99Å; L873-Y877 VanDerWaalsContact O-CD2 3.25Å; L873-Y877 WeakPolarHBondContact O-CD2 3.3Å; L873-Y877 WeakPolarHBondContact O-CE2 3.43Å; L873-Y877 PolarHBondContact O-N 3.09Å; H874-Y877 WeakPolarHBondContact O-CD2 3.06Å; H874-Y877 PolarHBondContact O-N 3.3Å; A875-Y877 VanDerWaalsContact C-N 3.25Å; A875-Y877 PolarHBondContact O-N 2.96Å; Y877-V883 HydrophobicContact CD1-CG2 4.27Å
878W93.7Very high89.3Confident2 Ų227.3 Ų27.31%0.00815%0.151CC..Hα-helixtrans-78.3-35.1-178.7-51.4124.2000112.9V441 H443 D460 F464 T467 V572 D574 L681 H874 A875 S876V441-W878 HydrophobicContact CG1-CH2 3.66Å; V441-W878 HydrophobicContact CG1-CZ3 3.54Å; H443-W878 AromaticContact CD2-CE2 3.93Å; H443-W878 AromaticContact CD2-CZ2 3.41Å; H443-W878 VanDerWaalsContact CD2-CZ2 3.41Å; H443-W878 WeakPolarHBondContact CD2-CZ2 3.29Å; H443-W878 AromaticContact NE2-CE2 3.88Å; H443-W878 AromaticContact NE2-CZ2 3.66Å; H443-W878 AromaticContact NE2-NE1 3.81Å; D460-W878 HydrophobicContact CB-CD2 4.24Å; D460-W878 HydrophobicContact CB-CG 3.9Å; D460-W878 VanDerWaalsContact CG-CD1 3.43Å; D460-W878 PolarHBondContact OD2-NE1 2.87Å; F464-W878 VanDerWaalsContact CA-O 3.22Å; F464-W878 WeakPolarHBondContact CA-O 3.45Å; F464-W878 HydrophobicContact CB-CB 4.16Å; F464-W878 HydrophobicContact CB-CE3 4Å; F464-W878 HydrophobicContact CD2-CE3 4.2Å; F464-W878 HydrophobicContact CG-CE3 4.02Å; T467-W878 PolarHBondContact OG1-O 3.08Å; V572-W878 HydrophobicContact CG1-CZ3 4.29Å; D574-W878 HydrophobicContact CB-CH2 3.98Å; D574-W878 HydrophobicContact CB-CZ2 3.73Å; L681-W878 HydrophobicContact CD1-CE3 4.37Å; L681-W878 HydrophobicContact CD1-CH2 4.24Å; L681-W878 HydrophobicContact CD1-CZ3 3.87Å; H874-W878 AromaticContact CE1-NE1 3.43Å; H874-W878 PolarHBondContact CE1-NE1 3.37Å; H874-W878 AromaticContact ND1-NE1 3.73Å; A875-W878 PolarHBondContact O-N 2.93Å; A875-W878 VanDerWaalsContact O-N 3.16Å; S876-W878 VanDerWaalsContact C-N 3.26Å; S876-W878 PolarHBondContact O-N 3.12Å
879E92.5Very high90.3Very high127 Ų12727.4 Ų27.459%0.59314%0.143SC*.Hα-helixtrans-88.4-17175.958.5167.7-162.800113.9T463 S876 K881T463-E879 HydrophobicContact CG2-CB 3.96Å; S876-E879 PolarHBondContact O-N 2.89Å; E879-K881 PolarHBondContact O-N 3.43Å; E879-K881 VanDerWaalsContact O-N 3.1Å
880S94Very high91Very high19 Ų1925.4 Ų25.413%0.13314%0.136CC..  trans-65.1111.4-174.9179.90000113.1S876 D882 V883 A884S876-S880 WeakPolarHBondContact O-CB 3.47Å; S876-S880 PolarHBondContact O-N 3.29Å; S880-D882 PolarHBondContact O-N 3.34Å; S880-D882 PolarHBondContact OG-N 3.01Å; S880-V883 PolarHBondContact O-N 2.92Å; S880-V883 PolarHBondContact OG-N 3.39Å; S880-A884 WeakPolarHBondContact O-CB 3.42Å; S880-A884 PolarHBondContact O-N 2.79Å
881K94.7Very high91.6Very high99 Ų9925.2 Ų25.243%0.4313%0.134SC..Hα-helixtrans-66.3-23.9171.3-62.9171.1-173.51670112.1T467 V471 Y763 E879 S885T467-K881 HydrophobicContact CG2-CG 3.89Å; V471-K881 HydrophobicContact CG2-CB 4.12Å; V471-K881 HydrophobicContact CG2-CG 4.13Å; Y763-K881 HydrophobicContact CD1-CB 3.49Å; Y763-K881 VanDerWaalsContact CD1-CB 3.49Å; Y763-K881 HydrophobicContact CD1-CD 3.85Å; Y763-K881 HydrophobicContact CD1-CG 4.23Å; Y763-K881 HydrophobicContact CE1-CB 4.09Å; Y763-K881 HydrophobicContact CE1-CD 3.83Å; Y763-K881 HydrophobicContact CE1-CG 4.42Å; Y763-K881 HydrophobicContact CG-CB 3.73Å; E879-K881 PolarHBondContact O-N 3.43Å; E879-K881 VanDerWaalsContact O-N 3.1Å; K881-S885 WeakPolarHBondContact O-CB 3.39Å; K881-S885 PolarHBondContact O-N 3.43Å; K881-S885 PolarHBondContact O-OG 3.07Å
882D94.5Very high92.1Very high22 Ų2223 Ų2312%0.11812%0.118CC..Hα-helixtrans-66.9-50.1175.7-59.2-0.1000109.3I760 Q762 Y763 S880 S885 F886I760-D882 HydrophobicContact CG2-CB 4.22Å; Q762-D882 WeakPolarHBondContact CA-OD2 3.4Å; Y763-D882 WeakPolarHBondContact CB-OD1 3.37Å; Y763-D882 PolarHBondContact N-OD1 2.92Å; S880-D882 PolarHBondContact O-N 3.34Å; S880-D882 PolarHBondContact OG-N 3.01Å; D882-S885 PolarHBondContact O-OG 3.41Å; D882-S885 VanDerWaalsContact O-OG 3.12Å; D882-F886 WeakPolarHBondContact O-CB 3.21Å; D882-F886 PolarHBondContact O-N 3.3Å
883V95.3Very high92.2Very high0 Ų024.3 Ų24.30%013%0.126CC..Hα-helixtrans-61.8-48.1173.8174.50000111L681 L733 V855 Y877 S880 S885 F886 I887L681-V883 HydrophobicContact CD2-CG1 4.22Å; L733-V883 HydrophobicContact CD2-CG1 4Å; L733-V883 HydrophobicContact CD2-CG2 4.4Å; V855-V883 HydrophobicContact CG1-CG2 3.88Å; V855-V883 HydrophobicContact CG2-CG2 4.12Å; Y877-V883 HydrophobicContact CD1-CG2 4.27Å; S880-V883 PolarHBondContact O-N 2.92Å; S880-V883 PolarHBondContact OG-N 3.39Å; V883-S885 PolarHBondContact O-N 3.12Å; V883-F886 PolarHBondContact O-N 2.87Å; V883-I887 HydrophobicContact CG1-CD1 3.73Å; V883-I887 HydrophobicContact CG1-CG1 4.45Å; V883-I887 WeakPolarHBondContact O-CG1 3.48Å; V883-I887 PolarHBondContact O-N 2.8Å
884A95.6Very high92.2Very high0 Ų025.8 Ų25.80%014%0.135CC..Hα-helixtrans-60.8-45.6179.800000112.6T467 I468 V471 S880 I887 I888T467-A884 HydrophobicContact CG2-CB 3.66Å; I468-A884 HydrophobicContact CD1-CB 3.8Å; I468-A884 HydrophobicContact CG1-CB 4.38Å; V471-A884 HydrophobicContact CG2-CB 4.27Å; S880-A884 WeakPolarHBondContact O-CB 3.42Å; S880-A884 PolarHBondContact O-N 2.79Å; A884-I887 PolarHBondContact O-N 3.22Å; A884-I888 WeakPolarHBondContact O-CB 3.39Å; A884-I888 WeakPolarHBondContact O-CD1 3.46Å; A884-I888 WeakPolarHBondContact O-CG1 3.28Å; A884-I888 PolarHBondContact O-N 2.81Å
885S93.8Very high92.2Very high0 Ų027.1 Ų27.10%014%0.143CC..Hα-helixtrans-71.1-28.2177.968.70000113.3K881 D882 V883 R889K881-S885 WeakPolarHBondContact O-CB 3.39Å; K881-S885 PolarHBondContact O-N 3.43Å; K881-S885 PolarHBondContact O-OG 3.07Å; D882-S885 PolarHBondContact O-OG 3.41Å; D882-S885 VanDerWaalsContact O-OG 3.12Å; V883-S885 PolarHBondContact O-N 3.12Å; S885-R889 VanDerWaalsContact O-CG 3.3Å; S885-R889 WeakPolarHBondContact O-CG 3.43Å; S885-R889 PolarHBondContact O-N 3.38Å; S885-R889 PolarHBondContact O-NE 2.96Å
886F95.1Very high91.9Very high3 Ų328.3 Ų28.31%0.01316%0.159CC..Hα-helixtrans-64.8-53.3167.9179.1-93.4000111.1F679 Y731 L733 I760 Y853 D882 V883 I888 R889 Q890F679-F886 HydrophobicContact CD1-CE1 4.41Å; F679-F886 HydrophobicContact CE1-CD1 4.42Å; F679-F886 HydrophobicContact CE1-CE1 4.12Å; Y731-F886 AromaticContact CD1-CE1 3.81Å; Y731-F886 HydrophobicContact CD1-CE1 3.81Å; Y731-F886 AromaticContact CD1-CZ 3.74Å; Y731-F886 HydrophobicContact CD1-CZ 3.74Å; Y731-F886 HydrophobicContact CE1-CE1 4.31Å; Y731-F886 HydrophobicContact CE1-CZ 4.11Å; Y731-F886 HydrophobicContact CG-CE1 4.26Å; L733-F886 HydrophobicContact CD1-CE1 4.3Å; L733-F886 HydrophobicContact CD2-CD1 4.07Å; L733-F886 HydrophobicContact CD2-CE1 4.44Å; I760-F886 HydrophobicContact CD1-CB 4.18Å; I760-F886 HydrophobicContact CD1-CD1 4.22Å; I760-F886 HydrophobicContact CD1-CD2 4.21Å; I760-F886 HydrophobicContact CD1-CG 3.94Å; I760-F886 HydrophobicContact CG1-CD2 4.25Å; I760-F886 HydrophobicContact CG1-CG 4.46Å; I760-F886 HydrophobicContact CG2-CB 3.94Å; I760-F886 HydrophobicContact CG2-CD2 4.37Å; I760-F886 HydrophobicContact CG2-CG 4.41Å; Y853-F886 AromaticContact CD1-CE2 3.57Å; Y853-F886 HydrophobicContact CD1-CE2 3.57Å; Y853-F886 AromaticContact CD1-CZ 3.55Å; Y853-F886 HydrophobicContact CD1-CZ 3.55Å; Y853-F886 HydrophobicContact CD2-CZ 4.16Å; Y853-F886 AromaticContact CE1-CE2 3.52Å; Y853-F886 HydrophobicContact CE1-CE2 3.52Å; Y853-F886 AromaticContact CE1-CZ 3.45Å; Y853-F886 HydrophobicContact CE1-CZ 3.45Å; Y853-F886 VanDerWaalsContact CE1-CZ 3.45Å; Y853-F886 HydrophobicContact CE2-CZ 4.1Å; Y853-F886 HydrophobicContact CG-CE2 4.33Å; Y853-F886 AromaticContact CG-CZ 3.93Å; Y853-F886 HydrophobicContact CG-CZ 3.93Å; Y853-F886 AromaticContact CZ-CZ 3.76Å; D882-F886 WeakPolarHBondContact O-CB 3.21Å; D882-F886 PolarHBondContact O-N 3.3Å; V883-F886 PolarHBondContact O-N 2.87Å; F886-I888 VanDerWaalsContact C-N 3.3Å; F886-I888 PolarHBondContact O-N 2.86Å; F886-R889 PolarHBondContact O-N 2.87Å; F886-R889 VanDerWaalsContact O-N 3.09Å; F886-Q890 HydrophobicContact CD1-CG 4.13Å; F886-Q890 HydrophobicContact CE1-CG 3.71Å; F886-Q890 HydrophobicContact CE2-CG 4.42Å; F886-Q890 HydrophobicContact CZ-CG 3.87Å; F886-Q890 VanDerWaalsContact CZ-NE2 3.28Å; F886-Q890 WeakPolarHBondContact O-CG 3.24Å; F886-Q890 PolarHBondContact O-N 3.25Å
887I95.8Very high91.1Very high0 Ų030.3 Ų30.30%017%0.168CC..Hα-helixtrans-56.2-44.8179.2-71.1170.8000110.7I439 F464 V572 F679 V883 A884 R889 Q890 I891I439-I887 HydrophobicContact CD1-CG2 4.42Å; F464-I887 HydrophobicContact CE2-CD1 4.2Å; F464-I887 HydrophobicContact CZ-CD1 3.98Å; V572-I887 HydrophobicContact CG2-CD1 4.26Å; F679-I887 HydrophobicContact CD1-CG1 3.86Å; F679-I887 HydrophobicContact CD2-CG1 4.4Å; F679-I887 HydrophobicContact CE1-CB 4.48Å; F679-I887 HydrophobicContact CE1-CG1 3.92Å; F679-I887 HydrophobicContact CE2-CG1 4.44Å; F679-I887 HydrophobicContact CE2-CG2 4.07Å; F679-I887 HydrophobicContact CG-CD1 4.45Å; F679-I887 HydrophobicContact CG-CG1 4.12Å; F679-I887 HydrophobicContact CZ-CB 4.4Å; F679-I887 HydrophobicContact CZ-CG1 4.21Å; F679-I887 HydrophobicContact CZ-CG2 4.15Å; V883-I887 HydrophobicContact CG1-CD1 3.73Å; V883-I887 HydrophobicContact CG1-CG1 4.45Å; V883-I887 WeakPolarHBondContact O-CG1 3.48Å; V883-I887 PolarHBondContact O-N 2.8Å; A884-I887 PolarHBondContact O-N 3.22Å; I887-R889 PolarHBondContact O-N 3.09Å; I887-Q890 PolarHBondContact O-N 2.87Å; I887-I891 HydrophobicContact CG2-CD1 3.63Å; I887-I891 HydrophobicContact CG2-CG1 4.42Å; I887-I891 WeakPolarHBondContact O-CB 3.31Å; I887-I891 VanDerWaalsContact O-CG1 3.27Å; I887-I891 WeakPolarHBondContact O-CG1 3.32Å; I887-I891 PolarHBondContact O-N 3Å
888I94.7Very high89.5Confident0 Ų034.7 Ų34.70%020%0.199CC..Hα-helixtrans-62.2-38.9178-69.7160.6000112.3I468 V471 T472 Y476 L479 I483 A884 F886 I891 L892I468-I888 HydrophobicContact CD1-CD1 3.99Å; I468-I888 HydrophobicContact CD1-CG1 4.01Å; I468-I888 HydrophobicContact CG2-CD1 4.45Å; V471-I888 HydrophobicContact CB-CD1 3.83Å; V471-I888 HydrophobicContact CG1-CD1 3.52Å; T472-I888 HydrophobicContact CG2-CD1 3.64Å; T472-I888 HydrophobicContact CG2-CG1 4.08Å; T472-I888 HydrophobicContact CG2-CG2 4.31Å; Y476-I888 HydrophobicContact CD1-CG2 4.02Å; Y476-I888 HydrophobicContact CD2-CB 4.45Å; Y476-I888 HydrophobicContact CD2-CG2 3.53Å; Y476-I888 HydrophobicContact CE1-CG2 4.28Å; Y476-I888 HydrophobicContact CE2-CB 4.46Å; Y476-I888 HydrophobicContact CE2-CG2 3.88Å; Y476-I888 HydrophobicContact CG-CG2 3.58Å; L479-I888 HydrophobicContact CD1-CG2 4.07Å; I483-I888 HydrophobicContact CD1-CG1 4.35Å; A884-I888 WeakPolarHBondContact O-CB 3.39Å; A884-I888 WeakPolarHBondContact O-CD1 3.46Å; A884-I888 WeakPolarHBondContact O-CG1 3.28Å; A884-I888 PolarHBondContact O-N 2.81Å; F886-I888 VanDerWaalsContact C-N 3.3Å; F886-I888 PolarHBondContact O-N 2.86Å; I888-I891 WeakPolarHBondContact O-CB 3.49Å; I888-I891 PolarHBondContact O-N 2.58Å; I888-L892 HydrophobicContact CG2-CD1 4.45Å; I888-L892 WeakPolarHBondContact O-CG 3.42Å; I888-L892 PolarHBondContact O-N 3.22Å
889R91.8Very high87.6Confident42 Ų4237 Ų3716%0.15821%0.213CC..Hα-helixtrans-67-41.1175.7-74.4177.5-66.2143.6-10.9112.7Y476 L768 S885 F886 I887 I891 L892 D893Y476-R889 HydrophobicContact CE1-CG 4.15Å; Y476-R889 WeakPolarHBondContact OH-CG 3.36Å; L768-R889 VanDerWaalsContact O-CD 3.28Å; L768-R889 WeakPolarHBondContact O-CD 3.41Å; S885-R889 VanDerWaalsContact O-CG 3.3Å; S885-R889 WeakPolarHBondContact O-CG 3.43Å; S885-R889 PolarHBondContact O-N 3.38Å; S885-R889 PolarHBondContact O-NE 2.96Å; F886-R889 PolarHBondContact O-N 2.87Å; F886-R889 VanDerWaalsContact O-N 3.09Å; I887-R889 PolarHBondContact O-N 3.09Å; R889-I891 VanDerWaalsContact C-N 3.3Å; R889-I891 PolarHBondContact O-N 3.33Å; R889-L892 PolarHBondContact O-N 3.19Å; R889-D893 PolarHBondContact O-N 3.41Å
890Q93.1Very high85Confident8 Ų836.3 Ų36.34%0.03721%0.213CC..Hα-helixtrans-65.7-36.7174.9-54.3-42.2-31.700111.7F679 Y731 F886 I887 T894F679-Q890 HydrophobicContact CE1-CB 4.1Å; F679-Q890 HydrophobicContact CE1-CG 4.04Å; F679-Q890 HydrophobicContact CZ-CB 3.91Å; F679-Q890 HydrophobicContact CZ-CG 4.37Å; Y731-Q890 HydrophobicContact CD1-CG 4.36Å; Y731-Q890 HydrophobicContact CE1-CB 4.35Å; Y731-Q890 HydrophobicContact CE1-CG 3.63Å; Y731-Q890 HydrophobicContact CE2-CB 4.41Å; Y731-Q890 HydrophobicContact CE2-CG 4.41Å; Y731-Q890 PolarHBondContact OH-OE1 3.33Å; F886-Q890 HydrophobicContact CD1-CG 4.13Å; F886-Q890 HydrophobicContact CE1-CG 3.71Å; F886-Q890 HydrophobicContact CE2-CG 4.42Å; F886-Q890 HydrophobicContact CZ-CG 3.87Å; F886-Q890 VanDerWaalsContact CZ-NE2 3.28Å; F886-Q890 WeakPolarHBondContact O-CG 3.24Å; F886-Q890 PolarHBondContact O-N 3.25Å; I887-Q890 PolarHBondContact O-N 2.87Å; Q890-T894 WeakPolarHBondContact O-CB 3.42Å; Q890-T894 PolarHBondContact O-N 2.87Å; Q890-T894 PolarHBondContact O-OG1 2.79Å
891I92.1Very high82Confident1 Ų141.2 Ų41.21%0.00523%0.234CC..Hα-helixtrans-62.9-44.5173.8-76.9168.2000112V437 I439 L479 I887 I888 R889 T894 L895V437-I891 HydrophobicContact CB-CG2 4.41Å; V437-I891 HydrophobicContact CG1-CD1 4.16Å; V437-I891 HydrophobicContact CG1-CG1 4.38Å; V437-I891 HydrophobicContact CG1-CG2 4.16Å; V437-I891 HydrophobicContact CG2-CG2 3.55Å; I439-I891 HydrophobicContact CD1-CD1 3.79Å; I439-I891 HydrophobicContact CG1-CD1 4.27Å; L479-I891 HydrophobicContact CD1-CG2 3.88Å; I887-I891 HydrophobicContact CG2-CD1 3.63Å; I887-I891 HydrophobicContact CG2-CG1 4.42Å; I887-I891 WeakPolarHBondContact O-CB 3.31Å; I887-I891 VanDerWaalsContact O-CG1 3.27Å; I887-I891 WeakPolarHBondContact O-CG1 3.32Å; I887-I891 PolarHBondContact O-N 3Å; I888-I891 WeakPolarHBondContact O-CB 3.49Å; I888-I891 PolarHBondContact O-N 2.58Å; R889-I891 VanDerWaalsContact C-N 3.3Å; R889-I891 PolarHBondContact O-N 3.33Å; I891-T894 WeakPolarHBondContact O-CB 3.49Å; I891-T894 PolarHBondContact O-N 3.21Å; I891-L895 HydrophobicContact CG2-CD1 4.01Å; I891-L895 WeakPolarHBondContact O-CG 3.43Å; I891-L895 PolarHBondContact O-N 3.3Å
892L89.6Confident78.7Confident4 Ų441.2 Ų41.22%0.02124%0.242CC..Hα-helixtrans-57.8-49.7177.3-81.3169.8000112Y476 L479 I888 R889 T894 L895 G896 L897 V899Y476-L892 HydrophobicContact CD1-CD1 3.46Å; Y476-L892 VanDerWaalsContact CD1-CD1 3.46Å; Y476-L892 HydrophobicContact CE1-CD1 3.78Å; Y476-L892 HydrophobicContact CG-CD1 4.39Å; L479-L892 HydrophobicContact CD1-CD1 4.5Å; L479-L892 HydrophobicContact CD1-CD2 3.52Å; L479-L892 HydrophobicContact CD1-CG 3.62Å; L479-L892 HydrophobicContact CD2-CD2 4.4Å; L479-L892 HydrophobicContact CG-CD2 3.76Å; L479-L892 HydrophobicContact CG-CG 4.4Å; I888-L892 HydrophobicContact CG2-CD1 4.45Å; I888-L892 WeakPolarHBondContact O-CG 3.42Å; I888-L892 PolarHBondContact O-N 3.22Å; R889-L892 PolarHBondContact O-N 3.19Å; L892-T894 VanDerWaalsContact C-N 3.31Å; L892-T894 PolarHBondContact O-N 3.39Å; L892-L895 CarbonylContact O-C 3.42Å; L892-L895 WeakPolarHBondContact O-CA 3.29Å; L892-L895 WeakPolarHBondContact O-CB 3.33Å; L892-L895 PolarHBondContact O-N 2.87Å; L892-G896 PolarHBondContact O-N 3.38Å; L892-L897 CarbonylContact C-O 3.57Å; L892-L897 HydrophobicContact CD2-CB 3.73Å; L892-L897 HydrophobicContact CD2-CD1 4.17Å; L892-L897 PolarHBondContact O-N 3.07Å; L892-V899 HydrophobicContact CD1-CG2 3.86Å
893D85.9Confident75.4Confident99 Ų9945.5 Ų45.553%0.52927%0.274SS..Hα-helixtrans-60.1-40.4176.8-171.950.7000111.8K849 R889 L895 G896K849-D893 WeakPolarHBondContact CE-OD2 3.36Å; K849-D893 IonicContact NZ-OD2 3.39Å; K849-D893 PolarHBondContact NZ-OD2 2.84Å; R889-D893 PolarHBondContact O-N 3.41Å; D893-L895 PolarHBondContact O-N 2.7Å; D893-G896 PolarHBondContact O-N 2.68Å
894T86.6Confident72.2Confident34 Ų3452.3 Ų52.321%0.20930%0.301CS..Hα-helixtrans-65.4-21.9175.4-54.50000113.7K568 Q676 N677 Q890 I891 L892K568-T894 HydrophobicContact CB-CG2 4.48Å; K568-T894 WeakPolarHBondContact CE-O 3.37Å; K568-T894 HydrophobicContact CG-CG2 4.24Å; Q676-T894 HydrophobicContact CB-CG2 3.67Å; Q676-T894 HydrophobicContact CG-CG2 3.8Å; N677-T894 PolarHBondContact ND2-OG1 3.16Å; Q890-T894 WeakPolarHBondContact O-CB 3.42Å; Q890-T894 PolarHBondContact O-N 2.87Å; Q890-T894 PolarHBondContact O-OG1 2.79Å; I891-T894 WeakPolarHBondContact O-CB 3.49Å; I891-T894 PolarHBondContact O-N 3.21Å; L892-T894 VanDerWaalsContact C-N 3.31Å; L892-T894 PolarHBondContact O-N 3.39Å
895L87.5Confident69Low42 Ų4256 Ų5622%0.2233%0.326CS..THydrogen-bonded Turntrans-92.5-4.2173.5-67.4166.7000112.9L436 V437 L479 K568 I891 L892 D893 L897L436-L895 HydrophobicContact CB-CD1 4.35Å; L436-L895 HydrophobicContact CB-CD2 4.25Å; V437-L895 HydrophobicContact CG2-CD1 3.69Å; V437-L895 HydrophobicContact CG2-CD2 4.27Å; V437-L895 HydrophobicContact CG2-CG 4.32Å; L479-L895 HydrophobicContact CD2-CD1 3.59Å; K568-L895 HydrophobicContact CB-CD2 4.45Å; K568-L895 HydrophobicContact CG-CD2 3.72Å; I891-L895 HydrophobicContact CG2-CD1 4.01Å; I891-L895 WeakPolarHBondContact O-CG 3.43Å; I891-L895 PolarHBondContact O-N 3.3Å; L892-L895 CarbonylContact O-C 3.42Å; L892-L895 WeakPolarHBondContact O-CA 3.29Å; L892-L895 WeakPolarHBondContact O-CB 3.33Å; L892-L895 PolarHBondContact O-N 2.87Å; D893-L895 PolarHBondContact O-N 2.7Å; L895-L897 HydrophobicContact CB-CB 4.36Å; L895-L897 HydrophobicContact CB-CD1 3.9Å; L895-L897 HydrophobicContact CB-CG 3.8Å; L895-L897 HydrophobicContact CD1-CD1 3.86Å; L895-L897 PolarHBondContact O-N 2.8Å
896G79.5Confident65.8Low70 Ų7060.5 Ų60.572%0.72236%0.364SS*.THydrogen-bonded Turntrans66.420.8-170.100000113.5L892 D893L892-G896 PolarHBondContact O-N 3.38Å; D893-G896 PolarHBondContact O-N 2.68Å
897L74.6Confident62.5Low62 Ų6267.9 Ų67.933%0.32540%0.403SS..  trans-95.3120.9-179.4-65.5177.5000110.2L436 L479 L892 L895L436-L897 HydrophobicContact CD1-CD1 4.4Å; L479-L897 HydrophobicContact CD2-CD1 4.21Å; L892-L897 CarbonylContact C-O 3.57Å; L892-L897 HydrophobicContact CD2-CB 3.73Å; L892-L897 HydrophobicContact CD2-CD1 4.17Å; L892-L897 PolarHBondContact O-N 3.07Å; L895-L897 HydrophobicContact CB-CB 4.36Å; L895-L897 HydrophobicContact CB-CD1 3.9Å; L895-L897 HydrophobicContact CB-CG 3.8Å; L895-L897 HydrophobicContact CD1-CD1 3.86Å; L895-L897 PolarHBondContact O-N 2.8Å
898S58.7Low59.4Low95 Ų9575.6 Ų75.666%0.66444%0.444SS*.  trans-65.5155.5162.653.30000110.9L900S898-L900 PolarHBondContact O-N 3.34Å; S898-L900 VanDerWaalsContact O-N 3.13Å
899V53.6Low56.1Low50 Ų5080.4 Ų80.430%0.30348%0.477SS..  trans-66.9109.5164.3177.70000107Y476 L768 L892 E901Y476-V899 HydrophobicContact CD1-CG2 4.45Å; Y476-V899 HydrophobicContact CE1-CG2 4.09Å; L768-V899 HydrophobicContact CD1-CG1 4.16Å; L768-V899 HydrophobicContact CD2-CG1 3.94Å; L892-V899 HydrophobicContact CD1-CG2 3.86Å; V899-E901 PolarHBondContact O-N 3.15Å; V899-E901 VanDerWaalsContact O-N 3.14Å
900L39.3Very low53.1Low112 Ų11285.8 Ų85.859%0.58651%0.509SS*.  trans-68110.3174.7-109.2169.4000109T478 S898 T902T478-L900 HydrophobicContact CG2-CB 4.03Å; T478-L900 HydrophobicContact CG2-CD1 3.72Å; T478-L900 HydrophobicContact CG2-CG 4.36Å; S898-L900 PolarHBondContact O-N 3.34Å; S898-L900 VanDerWaalsContact O-N 3.13Å; L900-T902 VanDerWaalsContact C-N 3.3Å; L900-T902 PolarHBondContact O-N 3.31Å
901E30.9Very low50Low123 Ų12394.3 Ų94.358%0.57555%0.549SS*.  trans-6980.3-177-65.2-170.5127.900111.8V899 S903V899-E901 PolarHBondContact O-N 3.15Å; V899-E901 VanDerWaalsContact O-N 3.14Å; E901-S903 PolarHBondContact O-N 3.14Å
902T25.7Very low46.8Very low98 Ų98102.1 Ų102.160%0.60159%0.589SS**THydrogen-bonded Turntrans-62.2103.5-18047.50000111.3P477 L900P477-T902 HydrophobicContact CG-CG2 3.82Å; L900-T902 VanDerWaalsContact C-N 3.3Å; L900-T902 PolarHBondContact O-N 3.31Å
903S24.3Very low43.8Very low112 Ų112104.7 Ų104.778%0.78361%0.611SS**THydrogen-bonded Turntrans76.129.3172.269.20000118.8E901E901-S903 PolarHBondContact O-N 3.14Å
904Y28.3Very low41Very low144 Ų144106.1 Ų106.157%0.56562%0.623SS**THydrogen-bonded Turntrans-131.9-1.1162.1-101.7-84.1000117.1S1237 S1241Y904-S1237 WeakPolarHBondContact OH-CB 3.31Å; Y904-S1241 WeakPolarHBondContact CE1-OG 3.39Å
905S27.2Very low38.4Very low77 Ų77109.3 Ų109.354%0.53864%0.642SS.*  trans-102.4114.6176.7610000112.2
906A27.6Very low35.7Very low95 Ų95112 Ų11279%0.78565%0.654SS**  trans-97.5139.5160.500000109.4
907D25.7Very low33.3Very low158 Ų158115.4 Ų115.485%0.84566%0.655SS**  trans-4116.5173.6-49.6-33.9000118.2
908L29.7Very low31.1Very low161 Ų161116 Ų11684%0.84367%0.669SS**  trans-161.392.6135.7-109.7160.6000110.3
909S25.9Very low29.8Very low101 Ų101117.5 Ų117.571%0.70666%0.663SS**  trans-68.3129.415451.60000109
910D28.4Very low28.6Very low155 Ų155122.2 Ų122.283%0.82969%0.686SS**  trans-170138.7132.9-92.1-21.3000109.7
911E28.2Very low28.2Very low188 Ų188121.9 Ų121.988%0.87969%0.693SS**  trans-78.8142.8176.3-58.5-178111.200110.8
912I25Very low28Very low164 Ų164123.2 Ų123.284%0.84170%0.703SS**  trans-160127.4150.6-107.2146.4000113.4V914I912-V914 PolarHBondContact O-N 2.98Å
913A27Very low28.1Very low58 Ų58125.4 Ų125.448%0.47971%0.711SS.*SBendtrans63.712149.100000123.8T915 E916A913-T915 PolarHBondContact O-N 2.65Å; A913-E916 HydrophobicContact CB-CG 4.41Å; A913-E916 PolarHBondContact O-N 2.89Å
914V27.9Very low28.2Very low129 Ų129125.1 Ų125.178%0.78271%0.707SS**Hα-helixtrans-63.9-31161.6-179.80000110.9I912 E916I912-V914 PolarHBondContact O-N 2.98Å; V914-E916 VanDerWaalsContact C-N 3.27Å; V914-E916 PolarHBondContact O-N 2.82Å
915T30.6Very low28.1Very low101 Ų101125.1 Ų125.162%0.6272%0.716SS**Hα-helixtrans-70.4-11.3-179-28.10000114.7A913 K919A913-T915 PolarHBondContact O-N 2.65Å; T915-K919 WeakPolarHBondContact O-CE 3.38Å; T915-K919 WeakPolarHBondContact O-CG 3.2Å
916E31.2Very low28.3Very low99 Ų99129.9 Ų129.946%0.46373%0.73SS.*Hα-helixtrans-84.6-43.1-179.9-74.4-56.1119.600112.8A913 V914 A918 K919A913-E916 HydrophobicContact CB-CG 4.41Å; A913-E916 PolarHBondContact O-N 2.89Å; V914-E916 VanDerWaalsContact C-N 3.27Å; V914-E916 PolarHBondContact O-N 2.82Å; E916-A918 PolarHBondContact O-N 2.77Å; E916-K919 WeakPolarHBondContact O-CB 3.48Å; E916-K919 PolarHBondContact O-N 3.21Å; E916-K919 WeakPolarHBondContact OE1-CE 3.31Å; E916-K919 IonicContact OE1-NZ 3.98Å; E916-K919 PolarHBondContact OE1-NZ 3.07Å
917L29Very low28.4Very low142 Ų142132.5 Ų132.574%0.74373%0.73SS**Hα-helixtrans-63.2-26.8178.7-77.2166.5000112.6K919L917-K919 VanDerWaalsContact C-N 3.33Å
918A29.8Very low28.5Very low74 Ų74134 Ų13461%0.61273%0.728SS**THydrogen-bonded Turntrans-71.4-22.4173.800000113.9E916E916-A918 PolarHBondContact O-N 2.77Å
919K30.6Very low28.4Very low126 Ų126131.1 Ų131.155%0.54872%0.722SS.*G310 helixtrans-81.2-23.8-179.3-66.9170.7-173.9175.60113.1T915 E916 L917 S921T915-K919 WeakPolarHBondContact O-CE 3.38Å; T915-K919 WeakPolarHBondContact O-CG 3.2Å; E916-K919 WeakPolarHBondContact O-CB 3.48Å; E916-K919 PolarHBondContact O-N 3.21Å; E916-K919 WeakPolarHBondContact OE1-CE 3.31Å; E916-K919 IonicContact OE1-NZ 3.98Å; E916-K919 PolarHBondContact OE1-NZ 3.07Å; L917-K919 VanDerWaalsContact C-N 3.33Å; K919-S921 PolarHBondContact O-N 2.67Å; K919-S921 VanDerWaalsContact O-N 3.14Å
920L28.9Very low28.6Very low150 Ų150135.1 Ų135.179%0.78573%0.729SS**G310 helixtrans-77.59-174.7-68.9170.7000114.8
921S29.7Very low28.7Very low104 Ų104132.7 Ų132.773%0.72772%0.72SS**G310 helixtrans-123.521.5-176.3-169.70000114.6K919K919-S921 PolarHBondContact O-N 2.67Å; K919-S921 VanDerWaalsContact O-N 3.14Å
922L27.4Very low28.8Very low152 Ų152134.7 Ų134.780%0.79672%0.721SS**  trans-141.957.5-176.5-98.7173.1000114.3
923N27.6Very low28.9Very low144 Ų144135 Ų13577%0.7772%0.719SS**  trans-160.9107.4153.6-121.1-21.1000113.4
924P26.6Very low29.2Very low105 Ų105138.5 Ų138.568%0.68273%0.734SS**  trans-80.7141.2157.932.4-29.5000110
925N27.3Very low29.3Very low144 Ų144139.8 Ų139.877%0.7773%0.734SS**SBendtrans82.5140-171.2-46.4-64.7000114.6
926Q31.3Very low29.4Very low177 Ų177142.1 Ų142.183%0.82774%0.742SS**  trans81.1131.5-164.9-57.9-174.830.300113.3
927I29.5Very low29.4Very low151 Ų151144.3 Ų144.377%0.77476%0.757SS**  cis-137.7156.7-0.2-101.4145.7000109.9
928K26.4Very low29.7Very low189 Ų189143.4 Ų143.482%0.82276%0.763SS**  trans-93.9161.5175.4-75.6-178174.9179.70112.2
929S27.8Very low29.6Very low101 Ų101144.9 Ų144.971%0.70677%0.769SS**  trans60.4115.5154.760.60000119.8
930Q31.7Very low29.7Very low184 Ų184144.9 Ų144.986%0.8678%0.779SS**  169.795.7121.3-90.8168.614.900107.1
931T28.8Very low29.6Very low104 Ų104146.3 Ų146.364%0.63878%0.782SS**  72109.776.5-59.40000112.9
932Y31.1Very low29.7Very low231 Ų231148.8 Ų148.891%0.90679%0.786SS**  -158.2140.8120-108.9-71000110.8
933E27.8Very low29.6Very low171 Ų171146.1 Ų146.180%0.79978%0.779SS**  trans-106148.6-176.3-56.4162.1129.200110.6
934V31.9Very low29.6Very low130 Ų130147.1 Ų147.179%0.78878%0.779SS**  trans-142125.6142.9-179.10000109.4
935M30.5Very low29.7Very low156 Ų156150.1 Ų150.177%0.76879%0.785SS**  trans-16.4160.6155.1-63160.8-68.800118
936D32.5Very low29.7Very low150 Ų150147.9 Ų147.980%0.80278%0.78SS**  cis-151.6169.823.6-143.8-17.6000114.8
937D31.9Very low29.5Very low145 Ų145147.4 Ų147.478%0.77578%0.778SS**  trans-80.1155.1-176.2-94.7-46000115.4
938S34Very low29.6Very low123 Ų123149 Ų14986%0.8678%0.779SS**  -174.3155.6125.831.30000112.7
939S28.7Very low29.7Very low106 Ų106144.8 Ų144.874%0.74177%0.773SS**  trans-145.3-172.2-168.564.50000113.1
940T31.6Very low29.9Very low125 Ų125145.2 Ų145.277%0.76778%0.777SS**  trans98.8124.5-171.165.90000113.7
941Q27.7Very low29.6Very low180 Ų180141.6 Ų141.684%0.84177%0.772SS**  cis88.515646.1-74.4-1646.100114.2
942I31.1Very low29.7Very low157 Ų157142 Ų14281%0.80578%0.779SS**  trans82.8114.2-171.8-52.2161.2000112.5
943S26.1Very low29.6Very low95 Ų95139.5 Ų139.566%0.66478%0.775SS**  cis102.7117.611.195.30000117.9
944Q27Very low29.7Very low165 Ų165135.1 Ų135.177%0.77176%0.763SS**  trans75.4154.5157.3-54.7-170.22.700122
945Q29Very low29.5Very low169 Ų169139.5 Ų139.579%0.7977%0.766SS**  trans71.2147.9161.2-68.3167.645.100118.5
946S27.4Very low29.2Very low96 Ų96141 Ų14167%0.67177%0.768SS**  cis-165.7150.9-22.150.10000112.4
947E26.8Very low28.9Very low167 Ų167137.8 Ų137.878%0.7876%0.758SS**  trans27.4129150-55.1178.5171.600122.3
948K32Very low28.6Very low184 Ų184137.8 Ų137.880%0.876%0.758SS**  -177135.9104.5-99.3152.9-170165.50116.8
949S28.2Very low28.3Very low101 Ų101141 Ų14171%0.70676%0.756SS**  trans10.6138.5145.360.10000119.8
950S31.4Very low28.1Very low111 Ų111140.7 Ų140.778%0.77675%0.754SS**  -174.8-177.652.6500000112.7
951S27.2Very low28.1Very low108 Ų108143 Ų14376%0.75576%0.756SS**  -173.875.7-75.853.40000113.8
952S30.8Very low28.1Very low112 Ų112139.8 Ų139.878%0.78375%0.749SS**  trans-140.5126.1169.644.30000109.9
953Q27.7Very low27.7Very low179 Ų179139.9 Ų139.984%0.83675%0.75SS**  66.712761.2-67.3-16418.400113
954S29.3Very low27.8Very low78 Ų78141 Ų14155%0.54576%0.758SS.*  cis-168.9160.93.864.20000113.9
955R28.7Very low27.8Very low223 Ų223142.9 Ų142.984%0.84276%0.764SS**  trans64.2161.7145.6-72.2162.6-169.41633.1118.5
956F25Very low27.6Very low188 Ų188138.4 Ų138.483%0.82576%0.763SS**  cis-174.9145.5-39.6-134.9-82.6000106.1
957S25.7Very low28Very low82 Ų82139.5 Ų139.557%0.57377%0.768SS**  trans48.5129.8156.657.60000122.2
958N25.3Very low28.1Very low145 Ų145141.9 Ų141.978%0.77577%0.77SS**  trans57.9126.2135.5-51.4-2.8000119.8
959F27Very low28Very low189 Ų189139.5 Ų139.583%0.82977%0.765SS**  -166.7150.295.2-118.9-92.1000112
960S25.8Very low28.1Very low100 Ų100143.5 Ų143.570%0.69977%0.77SS**  trans-76.3163.2166.7-42.50000110.7
961H32Very low28Very low174 Ų174144 Ų14481%0.80676%0.763SS**  trans-169.9170.2130.5-101.3-59.7000112.5
962T26.2Very low28.1Very low113 Ų113146.2 Ų146.269%0.69376%0.76SS**  trans-133.6156.1-158.131.30000112.7
963L24Very low27.9Very low159 Ų159151.6 Ų151.683%0.83276%0.763SS**  trans63.3135.4157.3-64.3158.1000119
964S28.1Very low28.1Very low118 Ų118149.3 Ų149.383%0.82576%0.761SS**  172.4158.8106.8-164.30000113.4
965F25.6Very low27.9Very low205 Ų205151 Ų15190%0.89977%0.773SS**  trans-82.6154.8177.9-65.6-112.2000112.5
966G26.4Very low27.8Very low74 Ų74145.5 Ų145.576%0.76377%0.769SS**  trans176.9142.7163.700000115.3
967P34.3Very low28Very low119 Ų119145.5 Ų145.577%0.77377%0.772SS**  trans-133.7166.8-157.542.3-25.3000119.3
968R29Very low28.1Very low218 Ų218152.6 Ų152.682%0.82379%0.786SS**  trans80.7123148.2-82.7177.8176.7177.80.6122.9
969N29.9Very low28.1Very low133 Ų133153.1 Ų153.171%0.71179%0.788SS**  trans78.6113132.2-60-6.9000122.6
970F30.5Very low28.1Very low185 Ų185154.3 Ų154.381%0.81179%0.792SS**  -174.6123.4113.6-112.7-130.2000108.8
971L30.2Very low28.2Very low121 Ų121154.7 Ų154.763%0.63480%0.795SS**  63.513597.7-73.1169000114.9
972K28.8Very low28Very low156 Ų156150.6 Ų150.668%0.67879%0.792SS**  cis-169.6139.816.8-151.5162.7-169168.10113.7
973R26.1Very low28.1Very low225 Ų225150.8 Ų150.885%0.84980%0.796SS**  trans64.1159.5163.3-70.8167.2173.9171.7-5.2116.3
974T31.6Very low28.4Very low130 Ų130148 Ų14880%0.79878%0.781SS**  cis-129.5160.315.144.90000115.3
975S25.2Very low28.4Very low114 Ų114147.1 Ų147.180%0.79777%0.772SS**  trans-46.9137.617348.50000118.7
976S27.5Very low28.5Very low108 Ų108148.4 Ų148.476%0.75577%0.773SS**  -178.1169.495-157.90000111.5
977E29.5Very low28.8Very low188 Ų188153.6 Ų153.688%0.87978%0.777SS**  trans50.4118.7171-51.9-152.5147.100118.6
978R26.4Very low28.8Very low231 Ų231150.2 Ų150.287%0.87275%0.754SS**  trans-108.5130.1-171.2-82175.1165.3161.4-8113.2
979L25.7Very low29.4Very low156 Ų156147.5 Ų147.582%0.81776%0.756SS**  trans40.793.8133.4-64.4163.2000117.3
980K26.8Very low30.4Very low213 Ų213144.2 Ų144.293%0.92674%0.735SS**  trans-126.848.2150.5-77-167.4174.6-1760111.7
981S27.4Very low32.1Very low108 Ų108142.4 Ų142.476%0.75573%0.727SS**  trans-88.6102.8157.8-1790000106.8
982A29.1Very low34.1Very low89 Ų89136.8 Ų136.874%0.73670%0.698SS**  trans-94.6106.6179.300000109I984A982-I984 PolarHBondContact O-N 2.91Å
983C27.8Very low36.5Very low116 Ų116130.2 Ų130.278%0.78467%0.67SS**PPolyproline II helixtrans-57.9130167.1-60.30000109.1P985C983-P985 WeakPolarHBondContact O-CD 3.42Å
984I31Very low39.5Very low102 Ų102119.8 Ų119.852%0.52363%0.631SS.*PPolyproline II helixtrans-64.4125.6175.2-62.1171.6000108A982 Y986 F1023A982-I984 PolarHBondContact O-N 2.91Å; I984-Y986 PolarHBondContact O-N 2.92Å; I984-F1023 HydrophobicContact CD1-CE2 4.41Å
985P28Very low42.2Very low98 Ų98113.8 Ų113.864%0.63659%0.594SS**PPolyproline II helixtrans-65.5124.9173.1-20.133.2000110.1C983 H987C983-P985 WeakPolarHBondContact O-CD 3.42Å; P985-H987 PolarHBondContact O-N 2.91Å
986Y28Very low45.4Very low232 Ų232108.7 Ų108.791%0.9156%0.559SS**THydrogen-bonded Turntrans-62.313.8-170.4-89.8-93.7000116.9I984I984-Y986 PolarHBondContact O-N 2.92Å
987H32.8Very low48.5Very low183 Ų183104.4 Ų104.485%0.84753%0.527SS*.THydrogen-bonded Turntrans-134.914.4-170.5-86.4-70.7000116.4P985P985-H987 PolarHBondContact O-N 2.91Å
988V33.6Very low51.6Low48 Ų4896.1 Ų96.129%0.29149%0.489SS..  trans-121.292173-165.30000111.3F103 F990F103-V988 HydrophobicContact CD1-CG2 4.39Å; F103-V988 HydrophobicContact CE1-CG2 4.3Å; V988-F990 HydrophobicContact CB-CD2 4.32Å; V988-F990 HydrophobicContact CB-CE2 3.97Å; V988-F990 HydrophobicContact CG1-CD2 3.83Å; V988-F990 HydrophobicContact CG1-CE1 4.12Å; V988-F990 HydrophobicContact CG1-CE2 3.35Å; V988-F990 HydrophobicContact CG1-CG 4.39Å; V988-F990 HydrophobicContact CG1-CZ 3.52Å; V988-F990 WeakPolarHBondContact O-CD2 3.07Å; V988-F990 PolarHBondContact O-N 3.4Å
989N40.6Very low54.8Low162 Ų16286 Ų8687%0.86645%0.453SS*.  trans-78.379.6-174.6-162.5-9.6000111.8
990F52.1Low58Low63 Ų6379.3 Ų79.328%0.27642%0.418SS..PPolyproline II helixtrans-77.8137.7173.7-66.8-74.5000111.1V988 F1015 L1020V988-F990 HydrophobicContact CB-CD2 4.32Å; V988-F990 HydrophobicContact CB-CE2 3.97Å; V988-F990 HydrophobicContact CG1-CD2 3.83Å; V988-F990 HydrophobicContact CG1-CE1 4.12Å; V988-F990 HydrophobicContact CG1-CE2 3.35Å; V988-F990 HydrophobicContact CG1-CG 4.39Å; V988-F990 HydrophobicContact CG1-CZ 3.52Å; V988-F990 WeakPolarHBondContact O-CD2 3.07Å; V988-F990 PolarHBondContact O-N 3.4Å; F990-F1015 HydrophobicContact CB-CB 3.89Å; F990-F1015 HydrophobicContact CB-CD1 3.73Å; F990-F1015 HydrophobicContact CB-CG 4.25Å; F990-F1015 VanDerWaalsContact O-CD1 3.25Å; F990-F1015 WeakPolarHBondContact O-CD1 3.47Å; F990-F1015 WeakPolarHBondContact O-CE1 3.48Å; F990-L1020 HydrophobicContact CD1-CD1 4.25Å; F990-L1020 HydrophobicContact CE1-CD1 3.99Å
991K64.8Low61.1Low148 Ų14869.7 Ų69.764%0.64338%0.377SS*.PPolyproline II helixtrans-77.1133174.6-169.4160.5-171.2155.90112N993 G1016K991-N993 PolarHBondContact O-N 3.2Å; K991-G1016 PolarHBondContact O-N 3.02Å
992A74.1Confident64Low3 Ų365.4 Ų65.43%0.02535%0.346CS..BIsolated β-bridgetrans-66123.4-179.700000113.1F1015 D1077 H1080 R1147A992-F1015 HydrophobicContact CB-CE1 3.97Å; A992-F1015 HydrophobicContact CB-CZ 4.15Å; A992-D1077 WeakPolarHBondContact CB-OD2 3.19Å; A992-H1080 HydrophobicContact CB-CB 3.57Å; A992-H1080 VanDerWaalsContact CB-CG 3.43Å; A992-R1147 PolarHBondContact O-NH1 3.25Å
993N77.7Confident66.6Low17 Ų1764.2 Ų64.29%0.09133%0.33CS..  trans-108.432.2180-162.729.3000112.6K991 R995 A1014 G1016 D1019K991-N993 PolarHBondContact O-N 3.2Å; N993-R995 PolarHBondContact ND2-NH1 3.05Å; N993-R995 VanDerWaalsContact ND2-NH1 3.13Å; N993-R995 PolarHBondContact O-NH1 2.92Å; N993-A1014 CarbonylContact C-O 3.52Å; N993-A1014 WeakPolarHBondContact CA-O 3.26Å; N993-A1014 PolarHBondContact N-O 3.35Å; N993-G1016 WeakPolarHBondContact CB-O 3.5Å; N993-G1016 PolarHBondContact ND2-O 3.15Å; N993-D1019 PolarHBondContact ND2-OD1 3.2Å
994H88.8Confident69.1Low6 Ų662.8 Ų62.83%0.02834%0.335CS..  trans-68.5133.9-178.3-60.12.3000111.6R1012 F1013 A1014 F1015 F1023 D1077 V1082H994-R1012 WeakPolarHBondContact CA-O 3.45Å; H994-F1013 HydrophobicContact CB-CD1 4.02Å; H994-F1013 HydrophobicContact CB-CE1 4.2Å; H994-F1013 AromaticContact CD2-CD1 3.37Å; H994-F1013 WeakPolarHBondContact CD2-CD1 3.41Å; H994-F1013 AromaticContact CD2-CE1 3.87Å; H994-F1013 AromaticContact CG-CD1 3.65Å; H994-F1013 AromaticContact NE2-CD1 3.68Å; H994-A1014 PolarHBondContact ND1-N 2.81Å; H994-A1014 PolarHBondContact ND1-O 2.78Å; H994-F1015 AromaticContact CE1-CD2 3.97Å; H994-F1015 AromaticContact CE1-CE2 3.41Å; H994-F1015 VanDerWaalsContact CE1-CE2 3.41Å; H994-F1015 WeakPolarHBondContact CE1-CE2 3.26Å; H994-F1023 AromaticContact CE1-CD1 3.86Å; H994-F1023 AromaticContact NE2-CD1 3.83Å; H994-F1023 AromaticContact NE2-CE1 3.95Å; H994-D1077 IonicContact CD2-OD2 3.56Å; H994-D1077 IonicContact CE1-OD2 3.44Å; H994-D1077 IonicContact NE2-OD2 3.32Å; H994-D1077 PolarHBondContact NE2-OD2 3.22Å; H994-V1082 VanDerWaalsContact C-CG2 3.44Å; H994-V1082 HydrophobicContact CB-CG2 3.43Å; H994-V1082 VanDerWaalsContact CB-CG2 3.43Å
995R89Confident71.6Confident5 Ų560.7 Ų60.72%0.01933%0.329CS..EExtended strand (participates in β ladder)trans-165.4163.5-170.763.9-162.5-171.6-97.711.4114.7N993 G1011 R1012 D1019 D1143N993-R995 PolarHBondContact ND2-NH1 3.05Å; N993-R995 VanDerWaalsContact ND2-NH1 3.13Å; N993-R995 PolarHBondContact O-NH1 2.92Å; R995-G1011 CarbonylContact O-C 3.53Å; R995-G1011 WeakPolarHBondContact O-CA 3.45Å; R995-R1012 PolarHBondContact N-O 3.43Å; R995-R1012 PolarHBondContact O-N 2.85Å; R995-D1019 IonicContact CZ-OD1 2.89Å; R995-D1019 IonicContact CZ-OD2 2.77Å; R995-D1019 IonicContact NH1-OD1 3.49Å; R995-D1019 PolarHBondContact NH1-OD1 2.9Å; R995-D1019 IonicContact NH1-OD2 3.25Å; R995-D1019 PolarHBondContact NH1-OD2 2.77Å; R995-D1019 IonicContact NH2-OD1 2.93Å; R995-D1019 IonicContact NH2-OD2 2.67Å; R995-D1019 PolarHBondContact NH2-OD2 2.83Å; R995-D1143 WeakPolarHBondContact CD-O 3.32Å; R995-D1143 IonicContact CZ-OD1 2.95Å; R995-D1143 IonicContact CZ-OD2 3.89Å; R995-D1143 IonicContact NE-OD1 3.31Å; R995-D1143 PolarHBondContact NE-OD1 3.12Å; R995-D1143 IonicContact NE-OD2 3Å; R995-D1143 PolarHBondContact NE-OD2 3.45Å; R995-D1143 IonicContact NH2-OD1 3.6Å; R995-D1143 PolarHBondContact NH2-OD1 3.35Å; R995-D1143 IonicContact NH2-OD2 3.08Å; R995-D1143 PolarHBondContact NH2-OD2 3.23Å
996A92.3Very high74.2Confident7 Ų760.8 Ų60.86%0.05833%0.328CS..EExtended strand (participates in β ladder)trans-154.2170.9170.300000108.3T1010 M1072 V1082 I1084 R1146A996-T1010 WeakPolarHBondContact CB-O 3.47Å; A996-M1072 HydrophobicContact CB-CE 3.66Å; A996-V1082 HydrophobicContact CB-CG1 3.88Å; A996-I1084 HydrophobicContact CB-CD1 4.45Å; A996-I1084 HydrophobicContact CB-CG2 3.55Å; A996-R1146 WeakPolarHBondContact O-CD 3.01Å; A996-R1146 PolarHBondContact O-NE 2.79Å; A996-R1146 VanDerWaalsContact O-NE 3.09Å; A996-R1146 PolarHBondContact O-NH1 2.97Å; A996-R1146 VanDerWaalsContact O-NH1 3.16Å
997N93Very high76.9Confident17 Ų1750.3 Ų50.39%0.09129%0.288CS..  trans-97.2158.7165.5-79.6-53000109.7I1084 F1164 F1165 N1167N997-I1084 WeakPolarHBondContact O-CG2 3.39Å; N997-F1164 HydrophobicContact CB-CD1 4.45Å; N997-F1165 PolarHBondContact ND2-O 2.84Å; N997-F1165 PolarHBondContact OD1-N 2.83Å; N997-F1165 PolarHBondContact OD1-O 2.96Å; N997-N1167 PolarHBondContact ND2-OD1 3.43Å
998D94.4Very high79.6Confident14 Ų1446.6 Ų46.68%0.07527%0.274CS..  trans-68.2155.5170.1-58.2-46.5000110.4I1084 T1085 M1162 T1163 F1164D998-I1084 VanDerWaalsContact OD1-CA 3.3Å; D998-I1084 WeakPolarHBondContact OD1-CA 3.1Å; D998-I1084 WeakPolarHBondContact OD1-CB 3.37Å; D998-T1085 WeakPolarHBondContact CA-O 3.44Å; D998-T1085 WeakPolarHBondContact CB-O 3.49Å; D998-T1085 PolarHBondContact OD1-N 3.28Å; D998-M1162 HydrophobicContact CB-CE 3.75Å; D998-T1163 PolarHBondContact N-O 3.02Å; D998-T1163 WeakPolarHBondContact OD2-CA 3.19Å; D998-T1163 WeakPolarHBondContact OD2-CB 3.46Å; D998-T1163 PolarHBondContact OD2-N 3.01Å; D998-T1163 PolarHBondContact OD2-OG1 2.86Å; D998-F1164 WeakPolarHBondContact O-CE1 3.48Å
999V93.7Very high82.3Confident20 Ų2044.3 Ų44.312%0.12126%0.261CS..EExtended strand (participates in β ladder)trans-119.7132.4-173.3-179.80000109.4P1007 I1009 I1084 T1085 L1086 A1087 M1162V999-P1007 HydrophobicContact CG1-CB 4.19Å; V999-I1009 HydrophobicContact CG2-CG1 4.34Å; V999-I1084 HydrophobicContact CG2-CD1 4.48Å; V999-T1085 PolarHBondContact N-O 2.93Å; V999-L1086 HydrophobicContact CB-CD1 3.97Å; V999-L1086 HydrophobicContact CG1-CD1 3.75Å; V999-L1086 CarbonylContact O-C 3.49Å; V999-L1086 WeakPolarHBondContact O-CA 3.49Å; V999-A1087 PolarHBondContact O-N 3.46Å; V999-M1162 WeakPolarHBondContact O-CE 3.45Å
1000I93.2Very high84.8Confident15 Ų1538.8 Ų38.88%0.07723%0.233CC..EExtended strand (participates in β ladder)trans-116.5131.3167.2-50.6169.8000107.4A1087 V1089 L1134 I1136 M1162 F1164 V1184 A1188 L1190I1000-A1087 CarbonylContact C-O 3.51Å; I1000-A1087 WeakPolarHBondContact CA-O 3.46Å; I1000-A1087 HydrophobicContact CG1-CB 4.24Å; I1000-A1087 HydrophobicContact CG2-CB 4.27Å; I1000-V1089 HydrophobicContact CG2-CG1 4.29Å; I1000-V1089 HydrophobicContact CG2-CG2 3.75Å; I1000-L1134 HydrophobicContact CD1-CD2 4.23Å; I1000-I1136 HydrophobicContact CD1-CD1 3.95Å; I1000-I1136 HydrophobicContact CD1-CG1 4.25Å; I1000-M1162 HydrophobicContact CD1-CB 4.06Å; I1000-M1162 HydrophobicContact CD1-CG 3.87Å; I1000-M1162 HydrophobicContact CG1-CB 4.32Å; I1000-M1162 HydrophobicContact CG1-CE 3.79Å; I1000-M1162 HydrophobicContact CG1-CG 3.94Å; I1000-F1164 HydrophobicContact CD1-CE2 4.08Å; I1000-F1164 HydrophobicContact CD1-CZ 3.93Å; I1000-F1164 HydrophobicContact CG1-CZ 4.07Å; I1000-V1184 HydrophobicContact CD1-CG1 3.88Å; I1000-A1188 HydrophobicContact CB-CB 4.15Å; I1000-A1188 HydrophobicContact CG2-CB 3.6Å; I1000-L1190 HydrophobicContact CD1-CD1 4.09Å; I1000-L1190 HydrophobicContact CG2-CD1 4.38Å; I1000-L1190 HydrophobicContact CG2-CD2 4.25Å
1001T90.9Very high86.7Confident11 Ų1136.1 Ų36.17%0.06722%0.223CC..EExtended strand (participates in β ladder)trans-132.1154175.5-166.60000110.6S1005 P1007 L1086 A1087 I1088 V1089T1001-S1005 WeakPolarHBondContact OG1-CB 3.24Å; T1001-S1005 PolarHBondContact OG1-O 3.01Å; T1001-P1007 HydrophobicContact CG2-CB 4Å; T1001-L1086 HydrophobicContact CG2-CD1 4.1Å; T1001-A1087 PolarHBondContact N-O 3.19Å; T1001-I1088 HydrophobicContact CG2-CB 4.3Å; T1001-I1088 HydrophobicContact CG2-CG1 3.8Å; T1001-I1088 HydrophobicContact CG2-CG2 4.37Å; T1001-V1089 PolarHBondContact O-N 2.9Å
1002T88.7Confident87.9Confident17 Ų1730.9 Ų30.910%0.10420%0.199CC..EExtended strand (participates in β ladder)trans-73.9146.8171.5-49.90000110.1G1004 S1005 V1089 P1091 N1187 A1188T1002-G1004 PolarHBondContact O-N 2.93Å; T1002-S1005 VanDerWaalsContact O-CB 3.31Å; T1002-S1005 WeakPolarHBondContact O-CB 3.38Å; T1002-S1005 PolarHBondContact O-N 3.39Å; T1002-V1089 CarbonylContact C-O 3.55Å; T1002-V1089 WeakPolarHBondContact CA-O 3.47Å; T1002-P1091 HydrophobicContact CG2-CB 4.45Å; T1002-P1091 HydrophobicContact CG2-CG 3.67Å; T1002-N1187 PolarHBondContact OG1-O 3.15Å; T1002-N1187 VanDerWaalsContact OG1-O 3.11Å; T1002-A1188 VanDerWaalsContact OG1-CA 3.31Å; T1002-A1188 WeakPolarHBondContact OG1-CA 3.3Å
1003T85Confident88.7Confident65 Ų6530.8 Ų30.840%0.39920%0.198SC..THydrogen-bonded Turntrans-42.7128.4167.6-42.40000111.5S1005 D1065 V1089 P1090T1003-S1005 VanDerWaalsContact C-N 3.28Å; T1003-S1005 PolarHBondContact O-N 2.7Å; T1003-D1065 WeakPolarHBondContact CB-OD1 3.36Å; T1003-D1065 VanDerWaalsContact CG2-OD1 3.22Å; T1003-D1065 WeakPolarHBondContact CG2-OD1 3.5Å; T1003-D1065 PolarHBondContact OG1-OD1 2.9Å; T1003-V1089 PolarHBondContact N-O 3.28Å; T1003-V1089 PolarHBondContact OG1-O 2.82Å; T1003-P1090 WeakPolarHBondContact OG1-CA 3.32Å
1004G80.4Confident89Confident86 Ų8630 Ų3089%0.88719%0.194SC*.THydrogen-bonded Turntrans76.10.8-179.300000116.2T1002T1002-G1004 PolarHBondContact O-N 2.93Å
1005S82.9Confident88.2Confident57 Ų5730.9 Ų30.940%0.39920%0.198SC..SBendtrans-98.3129.7174.6-59.40000111.3T1001 T1002 T1003 P1007T1001-S1005 WeakPolarHBondContact OG1-CB 3.24Å; T1001-S1005 PolarHBondContact OG1-O 3.01Å; T1002-S1005 VanDerWaalsContact O-CB 3.31Å; T1002-S1005 WeakPolarHBondContact O-CB 3.38Å; T1002-S1005 PolarHBondContact O-N 3.39Å; T1003-S1005 VanDerWaalsContact C-N 3.28Å; T1003-S1005 PolarHBondContact O-N 2.7Å; S1005-P1007 WeakPolarHBondContact O-CD 3.46Å
1006T81.8Confident86.7Confident100 Ų10030.9 Ų30.961%0.61320%0.2SC*.PPolyproline II helixtrans-65.1117.2-178.740.60000111.4L1008T1006-L1008 PolarHBondContact O-N 3.35Å
1007P85.3Confident84.7Confident12 Ų1233.2 Ų33.28%0.07822%0.224CC..PPolyproline II helixtrans-76.5118.5-17527.9-32000111.2V999 T1001 S1005 I1009 S1056 L1057 L1086V999-P1007 HydrophobicContact CG1-CB 4.19Å; T1001-P1007 HydrophobicContact CG2-CB 4Å; S1005-P1007 WeakPolarHBondContact O-CD 3.46Å; P1007-I1009 PolarHBondContact O-N 3.15Å; P1007-S1056 WeakPolarHBondContact O-CA 3.42Å; P1007-L1057 HydrophobicContact CG-CB 4.41Å; P1007-L1057 HydrophobicContact CG-CD1 3.82Å; P1007-L1057 HydrophobicContact CG-CG 3.98Å; P1007-L1086 HydrophobicContact CB-CD1 3.6Å; P1007-L1086 HydrophobicContact CB-CD2 4.27Å; P1007-L1086 HydrophobicContact CG-CD1 4.12Å; P1007-L1086 HydrophobicContact CG-CD2 3.89Å
1008L89Confident83.2Confident106 Ų10635 Ų3556%0.55523%0.234SC*.EExtended strand (participates in β ladder)trans-78.5104.6170.6178.962.5000110T1006 T1010 R1054T1006-L1008 PolarHBondContact O-N 3.35Å; L1008-T1010 HydrophobicContact CD1-CG2 4.48Å; L1008-T1010 HydrophobicContact CG-CG2 4.08Å; L1008-R1054 HydrophobicContact CD1-CB 4.44Å
1009I91.5Very high81.8Confident0 Ų035.4 Ų35.40%024%0.236CC..EExtended strand (participates in β ladder)trans-90.8135.8175.9-60159.9000108.6V999 P1007 R1054 F1055 L1057 I1070 M1072 I1084V999-I1009 HydrophobicContact CG2-CG1 4.34Å; P1007-I1009 PolarHBondContact O-N 3.15Å; I1009-R1054 WeakPolarHBondContact O-CA 3.23Å; I1009-F1055 HydrophobicContact CB-CD1 4.15Å; I1009-F1055 HydrophobicContact CB-CE1 3.71Å; I1009-F1055 HydrophobicContact CB-CE2 4.16Å; I1009-F1055 HydrophobicContact CB-CZ 3.71Å; I1009-F1055 HydrophobicContact CD1-CD2 4.43Å; I1009-F1055 HydrophobicContact CD1-CE2 3.62Å; I1009-F1055 HydrophobicContact CD1-CZ 3.69Å; I1009-F1055 HydrophobicContact CG1-CE2 4.48Å; I1009-F1055 HydrophobicContact CG1-CZ 4.31Å; I1009-F1055 HydrophobicContact CG2-CD1 4.28Å; I1009-F1055 HydrophobicContact CG2-CE1 3.44Å; I1009-F1055 VanDerWaalsContact CG2-CE1 3.44Å; I1009-F1055 HydrophobicContact CG2-CE2 4.46Å; I1009-F1055 HydrophobicContact CG2-CZ 3.55Å; I1009-F1055 PolarHBondContact N-O 2.85Å; I1009-F1055 PolarHBondContact O-N 2.88Å; I1009-L1057 HydrophobicContact CD1-CD2 3.95Å; I1009-L1057 HydrophobicContact CD1-CG 4.08Å; I1009-I1070 HydrophobicContact CD1-CD1 3.56Å; I1009-M1072 HydrophobicContact CG2-SD 4Å; I1009-I1084 HydrophobicContact CG2-CD1 3.78Å
1010T92.2Very high80.1Confident46 Ų4636.7 Ų36.728%0.28224%0.241SC..EExtended strand (participates in β ladder)trans-135.7137.5178.574.10000111A996 L1008 I1053 R1054A996-T1010 WeakPolarHBondContact CB-O 3.47Å; L1008-T1010 HydrophobicContact CD1-CG2 4.48Å; L1008-T1010 HydrophobicContact CG-CG2 4.08Å; T1010-I1053 WeakPolarHBondContact CA-O 3.32Å; T1010-R1054 HydrophobicContact CG2-CB 4.32Å; T1010-R1054 HydrophobicContact CG2-CG 3.91Å
1011G91.5Very high78.9Confident7 Ų739.3 Ų39.37%0.07225%0.254CS..EExtended strand (participates in β ladder)trans-139.8163.4-179.400000112.3R995 R1052 I1053R995-G1011 CarbonylContact O-C 3.53Å; R995-G1011 WeakPolarHBondContact O-CA 3.45Å; G1011-R1052 VanDerWaalsContact O-CA 3.26Å; G1011-R1052 WeakPolarHBondContact O-CA 3.15Å; G1011-I1053 PolarHBondContact N-O 3.39Å; G1011-I1053 VanDerWaalsContact N-O 3.08Å; G1011-I1053 PolarHBondContact O-N 2.76Å
1012R91.3Very high78.3Confident38 Ų3840.2 Ų40.214%0.14326%0.261CS..EExtended strand (participates in β ladder)trans-135.8129.8174.4-166.7171.6-165-163-2.1111.6H994 R995 D1019 S1022 S1050 G1051 R1052H994-R1012 WeakPolarHBondContact CA-O 3.45Å; R995-R1012 PolarHBondContact N-O 3.43Å; R995-R1012 PolarHBondContact O-N 2.85Å; R1012-D1019 IonicContact CZ-OD2 2.69Å; R1012-D1019 VanDerWaalsContact CZ-OD2 3.22Å; R1012-D1019 IonicContact NE-OD2 3.53Å; R1012-D1019 IonicContact NH1-OD2 3.74Å; R1012-D1019 PolarHBondContact NH1-OD2 2.7Å; R1012-S1022 PolarHBondContact NH2-OG 2.95Å; R1012-S1050 VanDerWaalsContact CZ-O 3.3Å; R1012-S1050 PolarHBondContact NE-O 2.94Å; R1012-S1050 PolarHBondContact NH2-O 3.48Å; R1012-G1051 CarbonylContact C-O 3.55Å; R1012-G1051 WeakPolarHBondContact CA-O 3.37Å; R1012-R1052 HydrophobicContact CB-CG 4.27Å; R1012-R1052 HydrophobicContact CG-CG 3.96Å
1013F91Very high78Confident0 Ų040.2 Ų40.20%026%0.26CS..  trans-116.8110.9-177.7-66.5-94.8000108.1H994 F1023 I1028 T1047 G1051 I1053 M1072 A1074 V1082H994-F1013 HydrophobicContact CB-CD1 4.02Å; H994-F1013 HydrophobicContact CB-CE1 4.2Å; H994-F1013 AromaticContact CD2-CD1 3.37Å; H994-F1013 WeakPolarHBondContact CD2-CD1 3.41Å; H994-F1013 AromaticContact CD2-CE1 3.87Å; H994-F1013 AromaticContact CG-CD1 3.65Å; H994-F1013 AromaticContact NE2-CD1 3.68Å; F1013-F1023 HydrophobicContact CB-CB 4.03Å; F1013-F1023 PolarHBondContact O-N 2.88Å; F1013-I1028 HydrophobicContact CB-CD1 4.24Å; F1013-I1028 HydrophobicContact CD1-CD1 3.45Å; F1013-I1028 VanDerWaalsContact CD1-CD1 3.45Å; F1013-I1028 HydrophobicContact CD1-CG1 4.39Å; F1013-I1028 HydrophobicContact CD2-CD1 3.71Å; F1013-I1028 HydrophobicContact CD2-CG1 3.83Å; F1013-I1028 HydrophobicContact CE1-CD1 3.69Å; F1013-I1028 HydrophobicContact CE1-CG1 4.37Å; F1013-I1028 HydrophobicContact CE1-CG2 4.03Å; F1013-I1028 HydrophobicContact CE2-CB 4.42Å; F1013-I1028 HydrophobicContact CE2-CD1 3.94Å; F1013-I1028 HydrophobicContact CE2-CG1 3.82Å; F1013-I1028 HydrophobicContact CE2-CG2 3.81Å; F1013-I1028 HydrophobicContact CG-CD1 3.49Å; F1013-I1028 VanDerWaalsContact CG-CD1 3.49Å; F1013-I1028 HydrophobicContact CG-CG1 4.16Å; F1013-I1028 HydrophobicContact CZ-CB 4.43Å; F1013-I1028 HydrophobicContact CZ-CD1 3.95Å; F1013-I1028 HydrophobicContact CZ-CG1 4.11Å; F1013-I1028 HydrophobicContact CZ-CG2 3.47Å; F1013-I1028 VanDerWaalsContact CZ-CG2 3.47Å; F1013-T1047 HydrophobicContact CB-CG2 4.17Å; F1013-T1047 HydrophobicContact CD2-CG2 4.22Å; F1013-T1047 HydrophobicContact CG-CG2 4.44Å; F1013-G1051 PolarHBondContact N-O 3.04Å; F1013-I1053 HydrophobicContact CE2-CD1 3.85Å; F1013-I1053 HydrophobicContact CE2-CG1 4.09Å; F1013-M1072 HydrophobicContact CZ-CB 3.9Å; F1013-A1074 HydrophobicContact CD1-CB 4.29Å; F1013-V1082 HydrophobicContact CE1-CG2 3.74Å; F1013-V1082 HydrophobicContact CZ-CB 4.31Å; F1013-V1082 HydrophobicContact CZ-CG2 3.8Å
1014A82.5Confident77.9Confident0 Ų040.3 Ų40.30%026%0.263CS..EExtended strand (participates in β ladder)trans-154.8163.4-176.100000110.4N993 H994 D1019 M1021N993-A1014 CarbonylContact C-O 3.52Å; N993-A1014 WeakPolarHBondContact CA-O 3.26Å; N993-A1014 PolarHBondContact N-O 3.35Å; H994-A1014 PolarHBondContact ND1-N 2.81Å; H994-A1014 PolarHBondContact ND1-O 2.78Å; A1014-D1019 HydrophobicContact CB-CB 4.03Å; A1014-D1019 WeakPolarHBondContact CB-OD1 3.28Å; A1014-M1021 CarbonylContact C-O 3.56Å; A1014-M1021 VanDerWaalsContact CA-O 3.28Å; A1014-M1021 WeakPolarHBondContact CA-O 3.08Å; A1014-M1021 WeakPolarHBondContact CB-O 3.4Å
1015F73.3Confident78.2Confident25 Ų2540.8 Ų40.811%0.1125%0.253CS..EExtended strand (participates in β ladder)trans-119.5145.9-178-85.5-91.9000111.7F990 A992 H994 D1019 L1020 M1021 F1023 D1077F990-F1015 HydrophobicContact CB-CB 3.89Å; F990-F1015 HydrophobicContact CB-CD1 3.73Å; F990-F1015 HydrophobicContact CB-CG 4.25Å; F990-F1015 VanDerWaalsContact O-CD1 3.25Å; F990-F1015 WeakPolarHBondContact O-CD1 3.47Å; F990-F1015 WeakPolarHBondContact O-CE1 3.48Å; A992-F1015 HydrophobicContact CB-CE1 3.97Å; A992-F1015 HydrophobicContact CB-CZ 4.15Å; H994-F1015 AromaticContact CE1-CD2 3.97Å; H994-F1015 AromaticContact CE1-CE2 3.41Å; H994-F1015 VanDerWaalsContact CE1-CE2 3.41Å; H994-F1015 WeakPolarHBondContact CE1-CE2 3.26Å; F1015-D1019 CarbonylContact O-C 3.49Å; F1015-L1020 PolarHBondContact O-N 2.85Å; F1015-M1021 HydrophobicContact CB-CB 4.33Å; F1015-M1021 HydrophobicContact CB-CE 4.12Å; F1015-M1021 HydrophobicContact CD2-CE 4.24Å; F1015-M1021 HydrophobicContact CG-CE 4.21Å; F1015-M1021 PolarHBondContact N-O 2.73Å; F1015-M1021 PolarHBondContact O-N 3.44Å; F1015-F1023 AromaticContact CD2-CD2 3.78Å; F1015-F1023 HydrophobicContact CD2-CD2 3.78Å; F1015-F1023 HydrophobicContact CD2-CE1 4.49Å; F1015-F1023 AromaticContact CD2-CE2 3.73Å; F1015-F1023 HydrophobicContact CD2-CE2 3.73Å; F1015-F1023 HydrophobicContact CD2-CG 4.23Å; F1015-F1023 HydrophobicContact CD2-CZ 4.13Å; F1015-F1023 AromaticContact CE2-CD1 3.89Å; F1015-F1023 HydrophobicContact CE2-CD1 3.89Å; F1015-F1023 AromaticContact CE2-CD2 3.73Å; F1015-F1023 HydrophobicContact CE2-CD2 3.73Å; F1015-F1023 AromaticContact CE2-CE1 3.54Å; F1015-F1023 HydrophobicContact CE2-CE1 3.54Å; F1015-F1023 AromaticContact CE2-CE2 3.34Å; F1015-F1023 HydrophobicContact CE2-CE2 3.34Å; F1015-F1023 HydrophobicContact CE2-CG 4.03Å; F1015-F1023 AromaticContact CE2-CZ 3.26Å; F1015-F1023 HydrophobicContact CE2-CZ 3.26Å; F1015-F1023 HydrophobicContact CZ-CE1 4.25Å; F1015-F1023 HydrophobicContact CZ-CE2 4.25Å; F1015-F1023 AromaticContact CZ-CZ 3.89Å; F1015-F1023 HydrophobicContact CZ-CZ 3.89Å; F1015-D1077 HydrophobicContact CZ-CB 4.16Å; F1015-D1077 VanDerWaalsContact CZ-OD2 3.24Å; F1015-D1077 WeakPolarHBondContact CZ-OD2 3.3Å
1016G56.1Low78.6Confident6 Ų639.6 Ų39.66%0.06224%0.241CC..THydrogen-bonded Turntrans79.1145.8-173.100000112.7K991 N993 L1018 D1019K991-G1016 PolarHBondContact O-N 3.02Å; N993-G1016 WeakPolarHBondContact CB-O 3.5Å; N993-G1016 PolarHBondContact ND2-O 3.15Å; G1016-L1018 PolarHBondContact O-N 3.47Å; G1016-D1019 PolarHBondContact O-N 2.99Å
1017G51.7Low79.2Confident55 Ų5539.2 Ų39.257%0.56723%0.231SC*.THydrogen-bonded Turntrans-64-8.7-172.100000116.3
1018L60.4Low79.6Confident56 Ų5638.7 Ų38.729%0.29323%0.227SC..THydrogen-bonded Turntrans-126.832.1175.4-67.7174.2000112.3Y229 G1016 M1144Y229-L1018 HydrophobicContact CE1-CB 3.83Å; Y229-L1018 HydrophobicContact CE1-CD1 3.56Å; Y229-L1018 HydrophobicContact CE1-CG 4.33Å; G1016-L1018 PolarHBondContact O-N 3.47Å; L1018-M1144 VanDerWaalsContact CA-CE 3.43Å; L1018-M1144 HydrophobicContact CD2-CE 4.49Å; L1018-M1144 HydrophobicContact CD2-SD 3.97Å
1019D64.6Low79.9Confident22 Ų2238.3 Ų38.312%0.11822%0.218CC..THydrogen-bonded Turntrans5451.2-179.5-63.4-12.3000112.8N993 R995 R1012 A1014 F1015 G1016 M1021 M1144N993-D1019 PolarHBondContact ND2-OD1 3.2Å; R995-D1019 IonicContact CZ-OD1 2.89Å; R995-D1019 IonicContact CZ-OD2 2.77Å; R995-D1019 IonicContact NH1-OD1 3.49Å; R995-D1019 PolarHBondContact NH1-OD1 2.9Å; R995-D1019 IonicContact NH1-OD2 3.25Å; R995-D1019 PolarHBondContact NH1-OD2 2.77Å; R995-D1019 IonicContact NH2-OD1 2.93Å; R995-D1019 IonicContact NH2-OD2 2.67Å; R995-D1019 PolarHBondContact NH2-OD2 2.83Å; R1012-D1019 IonicContact CZ-OD2 2.69Å; R1012-D1019 VanDerWaalsContact CZ-OD2 3.22Å; R1012-D1019 IonicContact NE-OD2 3.53Å; R1012-D1019 IonicContact NH1-OD2 3.74Å; R1012-D1019 PolarHBondContact NH1-OD2 2.7Å; A1014-D1019 HydrophobicContact CB-CB 4.03Å; A1014-D1019 WeakPolarHBondContact CB-OD1 3.28Å; F1015-D1019 CarbonylContact O-C 3.49Å; G1016-D1019 PolarHBondContact O-N 2.99Å; D1019-M1021 VanDerWaalsContact C-N 3.25Å; D1019-M1021 PolarHBondContact O-N 3.17Å; D1019-M1144 HydrophobicContact CB-CE 3.83Å; D1019-M1144 WeakPolarHBondContact OD1-CE 3.45Å; D1019-M1144 WeakPolarHBondContact OD2-CE 3.17Å
1020L58.5Low80Confident46 Ų4638.3 Ų38.324%0.24122%0.218CC..SBendtrans-60.1-35.4-178.1-74.6174.7000112.9Y229 F990 F1015Y229-L1020 HydrophobicContact CE1-CD2 4.44Å; Y229-L1020 HydrophobicContact CE2-CD2 3.83Å; F990-L1020 HydrophobicContact CD1-CD1 4.25Å; F990-L1020 HydrophobicContact CE1-CD1 3.99Å; F1015-L1020 PolarHBondContact O-N 2.85Å
1021M69.1Low80Confident70 Ų7036.9 Ų36.935%0.34521%0.208SC..EExtended strand (participates in β ladder)trans-136.5126.2176.2-179.2173.674.100108.6A1014 F1015 D1019 F1023A1014-M1021 CarbonylContact C-O 3.56Å; A1014-M1021 VanDerWaalsContact CA-O 3.28Å; A1014-M1021 WeakPolarHBondContact CA-O 3.08Å; A1014-M1021 WeakPolarHBondContact CB-O 3.4Å; F1015-M1021 HydrophobicContact CB-CB 4.33Å; F1015-M1021 HydrophobicContact CB-CE 4.12Å; F1015-M1021 HydrophobicContact CD2-CE 4.24Å; F1015-M1021 HydrophobicContact CG-CE 4.21Å; F1015-M1021 PolarHBondContact N-O 2.73Å; F1015-M1021 PolarHBondContact O-N 3.44Å; D1019-M1021 VanDerWaalsContact C-N 3.25Å; D1019-M1021 PolarHBondContact O-N 3.17Å; M1021-F1023 HydrophobicContact CE-CE2 4.46Å
1022S78.3Confident79.9Confident31 Ų3137.2 Ų37.222%0.21721%0.209CC..EExtended strand (participates in β ladder)trans-87.4137172-59.20000109.2R1012 S1024 S1050R1012-S1022 PolarHBondContact NH2-OG 2.95Å; S1022-S1024 PolarHBondContact O-N 3.34Å; S1022-S1024 VanDerWaalsContact O-N 3.1Å; S1022-S1050 PolarHBondContact OG-O 3.21Å
1023F82.3Confident79.6Confident17 Ų1738.2 Ų38.28%0.07522%0.215CC..  trans-76.293.5170.5-103.5-167.4000108.1I984 H994 F1013 F1015 M1021 E1026 T1047 G1051 A1074 S1076 D1077I984-F1023 HydrophobicContact CD1-CE2 4.41Å; H994-F1023 AromaticContact CE1-CD1 3.86Å; H994-F1023 AromaticContact NE2-CD1 3.83Å; H994-F1023 AromaticContact NE2-CE1 3.95Å; F1013-F1023 HydrophobicContact CB-CB 4.03Å; F1013-F1023 PolarHBondContact O-N 2.88Å; F1015-F1023 AromaticContact CD2-CD2 3.78Å; F1015-F1023 HydrophobicContact CD2-CD2 3.78Å; F1015-F1023 HydrophobicContact CD2-CE1 4.49Å; F1015-F1023 AromaticContact CD2-CE2 3.73Å; F1015-F1023 HydrophobicContact CD2-CE2 3.73Å; F1015-F1023 HydrophobicContact CD2-CG 4.23Å; F1015-F1023 HydrophobicContact CD2-CZ 4.13Å; F1015-F1023 AromaticContact CE2-CD1 3.89Å; F1015-F1023 HydrophobicContact CE2-CD1 3.89Å; F1015-F1023 AromaticContact CE2-CD2 3.73Å; F1015-F1023 HydrophobicContact CE2-CD2 3.73Å; F1015-F1023 AromaticContact CE2-CE1 3.54Å; F1015-F1023 HydrophobicContact CE2-CE1 3.54Å; F1015-F1023 AromaticContact CE2-CE2 3.34Å; F1015-F1023 HydrophobicContact CE2-CE2 3.34Å; F1015-F1023 HydrophobicContact CE2-CG 4.03Å; F1015-F1023 AromaticContact CE2-CZ 3.26Å; F1015-F1023 HydrophobicContact CE2-CZ 3.26Å; F1015-F1023 HydrophobicContact CZ-CE1 4.25Å; F1015-F1023 HydrophobicContact CZ-CE2 4.25Å; F1015-F1023 AromaticContact CZ-CZ 3.89Å; F1015-F1023 HydrophobicContact CZ-CZ 3.89Å; M1021-F1023 HydrophobicContact CE-CE2 4.46Å; F1023-E1026 HydrophobicContact CB-CB 4Å; F1023-E1026 HydrophobicContact CB-CG 4.33Å; F1023-E1026 HydrophobicContact CD1-CB 4.27Å; F1023-E1026 HydrophobicContact CD1-CG 3.7Å; F1023-E1026 HydrophobicContact CE1-CG 4.18Å; F1023-E1026 HydrophobicContact CG-CB 4.32Å; F1023-E1026 HydrophobicContact CG-CG 4.25Å; F1023-T1047 WeakPolarHBondContact O-CB 2.76Å; F1023-T1047 PolarHBondContact O-OG1 2.91Å; F1023-G1051 VanDerWaalsContact O-CA 3.29Å; F1023-G1051 WeakPolarHBondContact O-CA 3.35Å; F1023-A1074 HydrophobicContact CD1-CB 4.21Å; F1023-A1074 HydrophobicContact CE1-CB 4.06Å; F1023-S1076 WeakPolarHBondContact CE1-OG 3.44Å; F1023-S1076 WeakPolarHBondContact CZ-OG 3.48Å; F1023-D1077 HydrophobicContact CE1-CB 3.99Å; F1023-D1077 HydrophobicContact CZ-CB 4.47Å
1024S82.6Confident78.5Confident67 Ų6740.3 Ų40.347%0.46923%0.23SC..  trans-95.8136.9-177.258.30000112.4S1022 E1026S1022-S1024 PolarHBondContact O-N 3.34Å; S1022-S1024 VanDerWaalsContact O-N 3.1Å; S1024-E1026 PolarHBondContact O-N 3.46Å
1025S87.4Confident77.4Confident96 Ų9648.3 Ų48.367%0.67127%0.271SS*.SBendtrans59.324.2-175.4-54.30000113.9T1047S1025-T1047 WeakPolarHBondContact CA-O 3.23Å; S1025-T1047 PolarHBondContact N-O 2.87Å; S1025-T1047 PolarHBondContact N-OG1 3.37Å
1026E90.6Very high76.6Confident32 Ų3250.8 Ų50.815%0.1529%0.291CS..  trans-86.7142.3176.1173.361.417400110.1F1023 S1024 I1028 V1046 T1047 A1074 E1075 S1076F1023-E1026 HydrophobicContact CB-CB 4Å; F1023-E1026 HydrophobicContact CB-CG 4.33Å; F1023-E1026 HydrophobicContact CD1-CB 4.27Å; F1023-E1026 HydrophobicContact CD1-CG 3.7Å; F1023-E1026 HydrophobicContact CE1-CG 4.18Å; F1023-E1026 HydrophobicContact CG-CB 4.32Å; F1023-E1026 HydrophobicContact CG-CG 4.25Å; S1024-E1026 PolarHBondContact O-N 3.46Å; E1026-I1028 HydrophobicContact CG-CD1 4.03Å; E1026-V1046 CarbonylContact O-C 3.59Å; E1026-V1046 WeakPolarHBondContact O-CA 3.38Å; E1026-T1047 HydrophobicContact CB-CG2 4.37Å; E1026-T1047 PolarHBondContact N-OG1 3.44Å; E1026-T1047 PolarHBondContact O-N 2.98Å; E1026-T1047 PolarHBondContact O-OG1 3.39Å; E1026-A1074 HydrophobicContact CG-CB 4.08Å; E1026-E1075 PolarHBondContact OE1-N 3.37Å; E1026-E1075 VanDerWaalsContact OE1-N 3.08Å; E1026-S1076 WeakPolarHBondContact OE1-CB 3.41Å; E1026-S1076 PolarHBondContact OE1-N 2.99Å; E1026-S1076 PolarHBondContact OE1-OG 2.8Å; E1026-S1076 PolarHBondContact OE2-OG 2.8Å
1027K93.2Very high77Confident92 Ų9251.9 Ų51.940%0.430%0.302SS..EExtended strand (participates in β ladder)trans-87.9132.8176.6-65.2170.8-173.3168.70111.4T1044 E1045 V1046 A1074 E1075K1027-T1044 HydrophobicContact CB-CG2 3.78Å; K1027-T1044 HydrophobicContact CD-CG2 4.38Å; K1027-T1044 HydrophobicContact CG-CG2 4.23Å; K1027-E1045 CarbonylContact C-O 3.58Å; K1027-E1045 WeakPolarHBondContact CA-O 3.48Å; K1027-V1046 HydrophobicContact CG-CG2 4.31Å; K1027-A1074 WeakPolarHBondContact O-CA 3.46Å; K1027-E1075 HydrophobicContact CB-CG 4.08Å; K1027-E1075 HydrophobicContact CD-CG 4.33Å; K1027-E1075 WeakPolarHBondContact CD-OE1 3.07Å; K1027-E1075 VanDerWaalsContact CD-OE2 3.25Å; K1027-E1075 WeakPolarHBondContact CD-OE2 3.38Å; K1027-E1075 VanDerWaalsContact NZ-CD 3.3Å; K1027-E1075 IonicContact NZ-OE1 3.6Å; K1027-E1075 PolarHBondContact NZ-OE1 2.92Å; K1027-E1075 IonicContact NZ-OE2 2.85Å; K1027-E1075 PolarHBondContact NZ-OE2 3.28Å; K1027-E1075 PolarHBondContact O-N 3.46Å
1028I94.6Very high78.1Confident0 Ų051.6 Ų51.60%029%0.291CS..EExtended strand (participates in β ladder)trans-114.7107.6178.3-49.8-55.4000109F1013 E1026 V1030 T1044 E1045 T1047 I1053 M1072 T1073 A1074F1013-I1028 HydrophobicContact CB-CD1 4.24Å; F1013-I1028 HydrophobicContact CD1-CD1 3.45Å; F1013-I1028 VanDerWaalsContact CD1-CD1 3.45Å; F1013-I1028 HydrophobicContact CD1-CG1 4.39Å; F1013-I1028 HydrophobicContact CD2-CD1 3.71Å; F1013-I1028 HydrophobicContact CD2-CG1 3.83Å; F1013-I1028 HydrophobicContact CE1-CD1 3.69Å; F1013-I1028 HydrophobicContact CE1-CG1 4.37Å; F1013-I1028 HydrophobicContact CE1-CG2 4.03Å; F1013-I1028 HydrophobicContact CE2-CB 4.42Å; F1013-I1028 HydrophobicContact CE2-CD1 3.94Å; F1013-I1028 HydrophobicContact CE2-CG1 3.82Å; F1013-I1028 HydrophobicContact CE2-CG2 3.81Å; F1013-I1028 HydrophobicContact CG-CD1 3.49Å; F1013-I1028 VanDerWaalsContact CG-CD1 3.49Å; F1013-I1028 HydrophobicContact CG-CG1 4.16Å; F1013-I1028 HydrophobicContact CZ-CB 4.43Å; F1013-I1028 HydrophobicContact CZ-CD1 3.95Å; F1013-I1028 HydrophobicContact CZ-CG1 4.11Å; F1013-I1028 HydrophobicContact CZ-CG2 3.47Å; F1013-I1028 VanDerWaalsContact CZ-CG2 3.47Å; E1026-I1028 HydrophobicContact CG-CD1 4.03Å; I1028-V1030 PolarHBondContact O-N 3.34Å; I1028-T1044 WeakPolarHBondContact O-CA 3.48Å; I1028-E1045 PolarHBondContact N-O 3.18Å; I1028-E1045 PolarHBondContact O-N 3.5Å; I1028-T1047 HydrophobicContact CD1-CG2 4.02Å; I1028-T1047 HydrophobicContact CG1-CG2 3.82Å; I1028-I1053 HydrophobicContact CB-CD1 4.12Å; I1028-I1053 HydrophobicContact CB-CG2 4.39Å; I1028-I1053 HydrophobicContact CG1-CD1 4.33Å; I1028-I1053 HydrophobicContact CG1-CG2 3.84Å; I1028-I1053 HydrophobicContact CG2-CD1 3.88Å; I1028-M1072 HydrophobicContact CG2-CB 3.74Å; I1028-T1073 CarbonylContact C-O 3.27Å; I1028-T1073 WeakPolarHBondContact CA-O 3.24Å; I1028-A1074 HydrophobicContact CD1-CB 3.79Å
1029R94.9Very high79.2Confident98 Ų9852.7 Ų52.737%0.3729%0.292SS..EExtended strand (participates in β ladder)trans-74.6120.6174.2-175.2169.7177.7-86.8-13.6109.4E1031 Y1041 M1072 T1073R1029-E1031 IonicContact CZ-OE1 2.7Å; R1029-E1031 IonicContact NH1-OE1 3.33Å; R1029-E1031 PolarHBondContact NH1-OE1 3.33Å; R1029-E1031 IonicContact NH1-OE2 3.15Å; R1029-E1031 PolarHBondContact NH1-OE2 2.97Å; R1029-E1031 VanDerWaalsContact NH1-OE2 3.09Å; R1029-E1031 IonicContact NH2-OE1 3.26Å; R1029-E1031 PolarHBondContact NH2-OE1 3.08Å; R1029-Y1041 HydrophobicContact CG-CD2 4Å; R1029-Y1041 HydrophobicContact CG-CE2 4.13Å; R1029-M1072 WeakPolarHBondContact O-CA 3.21Å; R1029-T1073 PolarHBondContact N-O 2.86Å; R1029-T1073 PolarHBondContact O-N 2.87Å
1030V93.8Very high80.3Confident0 Ų053.9 Ų53.90%031%0.305CS..EExtended strand (participates in β ladder)trans-101.8128.3-179.1-173.30000109.8I1028 V1042 C1043 F1055 I1070 M1072I1028-V1030 PolarHBondContact O-N 3.34Å; V1030-V1042 HydrophobicContact CB-CB 4.33Å; V1030-V1042 HydrophobicContact CG1-CB 4.12Å; V1030-V1042 HydrophobicContact CG1-CG1 4.38Å; V1030-V1042 PolarHBondContact O-N 3.44Å; V1030-C1043 WeakPolarHBondContact CB-O 3.43Å; V1030-C1043 PolarHBondContact N-O 2.82Å; V1030-F1055 HydrophobicContact CB-CZ 4.37Å; V1030-F1055 HydrophobicContact CG1-CE2 3.95Å; V1030-F1055 HydrophobicContact CG1-CZ 3.67Å; V1030-F1055 HydrophobicContact CG2-CE1 4.15Å; V1030-F1055 HydrophobicContact CG2-CE2 4.26Å; V1030-F1055 HydrophobicContact CG2-CZ 3.81Å; V1030-I1070 HydrophobicContact CG1-CG2 3.8Å; V1030-M1072 HydrophobicContact CG1-CG 4.27Å; V1030-M1072 HydrophobicContact CG2-CG 4.24Å
1031E93Very high81.8Confident16 Ų1657.7 Ų57.78%0.07532%0.317CS..EExtended strand (participates in β ladder)trans-128.1144.9173-58-172.6114.500110.9R1029 W1039 A1040 I1070 K1071R1029-E1031 IonicContact CZ-OE1 2.7Å; R1029-E1031 IonicContact NH1-OE1 3.33Å; R1029-E1031 PolarHBondContact NH1-OE1 3.33Å; R1029-E1031 IonicContact NH1-OE2 3.15Å; R1029-E1031 PolarHBondContact NH1-OE2 2.97Å; R1029-E1031 VanDerWaalsContact NH1-OE2 3.09Å; R1029-E1031 IonicContact NH2-OE1 3.26Å; R1029-E1031 PolarHBondContact NH2-OE1 3.08Å; E1031-W1039 HydrophobicContact CB-CB 4.17Å; E1031-W1039 HydrophobicContact CB-CE3 4Å; E1031-A1040 CarbonylContact C-O 3.58Å; E1031-A1040 WeakPolarHBondContact CA-O 3.39Å; E1031-A1040 WeakPolarHBondContact CB-O 3.45Å; E1031-I1070 CarbonylContact O-C 3.56Å; E1031-I1070 WeakPolarHBondContact O-CA 3.26Å; E1031-K1071 PolarHBondContact N-O 2.82Å; E1031-K1071 PolarHBondContact O-N 2.74Å; E1031-K1071 WeakPolarHBondContact OE2-CE 3.43Å; E1031-K1071 IonicContact OE2-NZ 3.11Å; E1031-K1071 PolarHBondContact OE2-NZ 2.69Å
1032I89.6Confident82.7Confident15 Ų1555.1 Ų55.18%0.07731%0.305CS..EExtended strand (participates in β ladder)trans-112.3140.1173.7-167.8166.6000109.6A1040 V1042 L1063 Y1068 I1070I1032-A1040 HydrophobicContact CG2-CB 4.41Å; I1032-A1040 PolarHBondContact N-O 2.67Å; I1032-A1040 PolarHBondContact O-N 3.08Å; I1032-V1042 HydrophobicContact CB-CG2 3.78Å; I1032-V1042 HydrophobicContact CG2-CG2 3.51Å; I1032-L1063 HydrophobicContact CD1-CD1 3.46Å; I1032-L1063 VanDerWaalsContact CD1-CD1 3.46Å; I1032-L1063 HydrophobicContact CD1-CD2 4.05Å; I1032-L1063 HydrophobicContact CD1-CG 4.39Å; I1032-Y1068 HydrophobicContact CD1-CD1 4.42Å; I1032-Y1068 HydrophobicContact CD1-CG 4.36Å; I1032-I1070 HydrophobicContact CD1-CG1 4.33Å; I1032-I1070 HydrophobicContact CG1-CG1 4.08Å
1033Q84.6Confident83.4Confident59 Ų5954.4 Ų54.428%0.27630%0.3SS..EExtended strand (participates in β ladder)trans-81.6127.1175.5-157.7176.622.900110G1037 W1039 P1069Q1033-G1037 WeakPolarHBondContact CG-O 3.37Å; Q1033-G1037 PolarHBondContact NE2-O 3.37Å; Q1033-W1039 HydrophobicContact CB-CD2 4.29Å; Q1033-W1039 HydrophobicContact CB-CE3 3.94Å; Q1033-W1039 HydrophobicContact CB-CH2 3.95Å; Q1033-W1039 HydrophobicContact CB-CZ2 4.31Å; Q1033-W1039 HydrophobicContact CB-CZ3 3.76Å; Q1033-W1039 HydrophobicContact CG-CD2 4.44Å; Q1033-W1039 HydrophobicContact CG-CZ2 4.45Å; Q1033-P1069 HydrophobicContact CB-CB 3.98Å; Q1033-P1069 HydrophobicContact CB-CG 4.27Å; Q1033-P1069 PolarHBondContact N-O 3.29Å
1034S68.3Low83.9Confident44 Ų4456 Ų5631%0.30831%0.311SS..  trans-76.1167.8172.973.50000111.6S1036 G1037 S1038S1034-S1036 PolarHBondContact O-N 3.01Å; S1034-S1036 VanDerWaalsContact O-N 3.08Å; S1034-S1036 PolarHBondContact OG-N 3.5Å; S1034-S1036 PolarHBondContact OG-OG 3.17Å; S1034-G1037 PolarHBondContact O-N 2.85Å; S1034-S1038 PolarHBondContact N-O 3.33Å; S1034-S1038 PolarHBondContact OG-O 3.13Å; S1034-S1038 PolarHBondContact OG-OG 3.34Å
1035I59.1Low84.4Confident168 Ų16855.5 Ų55.586%0.86230%0.301SS*.THydrogen-bonded Turntrans-60.4-18.4173.1-56.6171000112G1037I1035-G1037 VanDerWaalsContact C-N 3.35Å
1036S56.2Low84.7Confident77 Ų7755 Ų5554%0.53829%0.294SS..THydrogen-bonded Turntrans-87.85.6173.156.90000114.3S1034 S1038S1034-S1036 PolarHBondContact O-N 3.01Å; S1034-S1036 VanDerWaalsContact O-N 3.08Å; S1034-S1036 PolarHBondContact OG-N 3.5Å; S1034-S1036 PolarHBondContact OG-OG 3.17Å; S1036-S1038 VanDerWaalsContact C-N 3.25Å; S1036-S1038 PolarHBondContact O-N 2.93Å; S1036-S1038 PolarHBondContact OG-OG 3.16Å; S1036-S1038 VanDerWaalsContact OG-OG 3.07Å
1037G65.4Low84.8Confident29 Ų2953.7 Ų53.730%0.29929%0.288SS..SBendtrans82.2-9.9178.800000115.1Q1033 S1034 I1035Q1033-G1037 WeakPolarHBondContact CG-O 3.37Å; Q1033-G1037 PolarHBondContact NE2-O 3.37Å; S1034-G1037 PolarHBondContact O-N 2.85Å; I1035-G1037 VanDerWaalsContact C-N 3.35Å
1038S73Confident84.7Confident48 Ų4852.5 Ų52.534%0.33629%0.286SS..  trans-78.6135179.449.20000112S1034 S1036S1034-S1038 PolarHBondContact N-O 3.33Å; S1034-S1038 PolarHBondContact OG-O 3.13Å; S1034-S1038 PolarHBondContact OG-OG 3.34Å; S1036-S1038 VanDerWaalsContact C-N 3.25Å; S1036-S1038 PolarHBondContact O-N 2.93Å; S1036-S1038 PolarHBondContact OG-OG 3.16Å; S1036-S1038 VanDerWaalsContact OG-OG 3.07Å
1039W85Confident84.4Confident80 Ų8057.9 Ų57.930%0.30332%0.324SS..EExtended strand (participates in β ladder)trans-73.5125.8170.8-65.5100.3000110.6E1031 Q1033 P1069 K1071E1031-W1039 HydrophobicContact CB-CB 4.17Å; E1031-W1039 HydrophobicContact CB-CE3 4Å; Q1033-W1039 HydrophobicContact CB-CD2 4.29Å; Q1033-W1039 HydrophobicContact CB-CE3 3.94Å; Q1033-W1039 HydrophobicContact CB-CH2 3.95Å; Q1033-W1039 HydrophobicContact CB-CZ2 4.31Å; Q1033-W1039 HydrophobicContact CB-CZ3 3.76Å; Q1033-W1039 HydrophobicContact CG-CD2 4.44Å; Q1033-W1039 HydrophobicContact CG-CZ2 4.45Å; W1039-P1069 HydrophobicContact CH2-CB 3.85Å; W1039-P1069 HydrophobicContact CZ3-CB 4.36Å; W1039-P1069 WeakPolarHBondContact CZ3-O 3.41Å; W1039-K1071 HydrophobicContact CD2-CB 4.34Å; W1039-K1071 HydrophobicContact CD2-CD 4.27Å; W1039-K1071 HydrophobicContact CE3-CB 3.75Å; W1039-K1071 HydrophobicContact CE3-CD 4.5Å; W1039-K1071 HydrophobicContact CH2-CB 3.64Å; W1039-K1071 HydrophobicContact CZ2-CB 4.22Å; W1039-K1071 HydrophobicContact CZ2-CD 4.35Å; W1039-K1071 HydrophobicContact CZ3-CB 3.36Å
1040A86.6Confident83.7Confident47 Ų4754.9 Ų54.939%0.38832%0.318SS..EExtended strand (participates in β ladder)trans-111.7135.7173.800000109.9E1031 I1032E1031-A1040 CarbonylContact C-O 3.58Å; E1031-A1040 WeakPolarHBondContact CA-O 3.39Å; E1031-A1040 WeakPolarHBondContact CB-O 3.45Å; I1032-A1040 HydrophobicContact CG2-CB 4.41Å; I1032-A1040 PolarHBondContact N-O 2.67Å; I1032-A1040 PolarHBondContact O-N 3.08Å
1041Y90.6Very high83.4Confident126 Ų12654.9 Ų54.949%0.49432%0.318SS..EExtended strand (participates in β ladder)trans-67.4139.1177.1170.6-100000111.9R1029 C1043 T1044R1029-Y1041 HydrophobicContact CG-CD2 4Å; R1029-Y1041 HydrophobicContact CG-CE2 4.13Å; Y1041-C1043 VanDerWaalsContact CE2-C 3.41Å; Y1041-C1043 WeakPolarHBondContact CE2-O 3.16Å; Y1041-C1043 VanDerWaalsContact OH-C 3.29Å; Y1041-C1043 WeakPolarHBondContact OH-CA 3.35Å; Y1041-T1044 WeakPolarHBondContact CE2-OG1 3.39Å; Y1041-T1044 PolarHBondContact OH-N 2.92Å; Y1041-T1044 PolarHBondContact OH-OG1 3.21Å
1042V88.4Confident83.4Confident16 Ų1657.3 Ų57.310%0.09733%0.326CS..EExtended strand (participates in β ladder)trans-114.1-61.2-177.6172.10000110.9V1030 I1032 L1057 P1058 I1061V1030-V1042 HydrophobicContact CB-CB 4.33Å; V1030-V1042 HydrophobicContact CG1-CB 4.12Å; V1030-V1042 HydrophobicContact CG1-CG1 4.38Å; V1030-V1042 PolarHBondContact O-N 3.44Å; I1032-V1042 HydrophobicContact CB-CG2 3.78Å; I1032-V1042 HydrophobicContact CG2-CG2 3.51Å; V1042-L1057 HydrophobicContact CG1-CD2 3.83Å; V1042-P1058 HydrophobicContact CG1-CG 4.35Å; V1042-I1061 HydrophobicContact CB-CD1 4.38Å; V1042-I1061 HydrophobicContact CG1-CD1 3.93Å; V1042-I1061 HydrophobicContact CG2-CD1 4.27Å
1043C91.7Very high83.5Confident16 Ų1656.7 Ų56.711%0.10832%0.323CS..EExtended strand (participates in β ladder)trans-159.6173.1-179.563.80000110.5V1030 Y1041V1030-C1043 WeakPolarHBondContact CB-O 3.43Å; V1030-C1043 PolarHBondContact N-O 2.82Å; Y1041-C1043 VanDerWaalsContact CE2-C 3.41Å; Y1041-C1043 WeakPolarHBondContact CE2-O 3.16Å; Y1041-C1043 VanDerWaalsContact OH-C 3.29Å; Y1041-C1043 WeakPolarHBondContact OH-CA 3.35Å
1044T93.2Very high83.9Confident51 Ų5162.2 Ų62.231%0.31334%0.341SS..EExtended strand (participates in β ladder)trans-123.8117.7166-66.30000108.2K1027 I1028 Y1041K1027-T1044 HydrophobicContact CB-CG2 3.78Å; K1027-T1044 HydrophobicContact CD-CG2 4.38Å; K1027-T1044 HydrophobicContact CG-CG2 4.23Å; I1028-T1044 WeakPolarHBondContact O-CA 3.48Å; Y1041-T1044 WeakPolarHBondContact CE2-OG1 3.39Å; Y1041-T1044 PolarHBondContact OH-N 2.92Å; Y1041-T1044 PolarHBondContact OH-OG1 3.21Å
1045E93.8Very high85Confident56 Ų5660.6 Ų60.626%0.26233%0.329SS..EExtended strand (participates in β ladder)trans-95.3158.8177.1-70.1-58.6144.900111.1K1027 I1028 I1053 F1055K1027-E1045 CarbonylContact C-O 3.58Å; K1027-E1045 WeakPolarHBondContact CA-O 3.48Å; I1028-E1045 PolarHBondContact N-O 3.18Å; I1028-E1045 PolarHBondContact O-N 3.5Å; E1045-I1053 HydrophobicContact CB-CB 4.13Å; E1045-I1053 HydrophobicContact CB-CD1 4.35Å; E1045-I1053 HydrophobicContact CB-CG2 3.83Å; E1045-F1055 VanDerWaalsContact CD-CB 3.47Å; E1045-F1055 HydrophobicContact CG-CB 3.74Å; E1045-F1055 HydrophobicContact CG-CD1 3.76Å; E1045-F1055 HydrophobicContact CG-CD2 4.47Å; E1045-F1055 HydrophobicContact CG-CE1 4.49Å; E1045-F1055 HydrophobicContact CG-CG 3.75Å; E1045-F1055 WeakPolarHBondContact OE1-CB 3.37Å
1046V93.6Very high86.3Confident85 Ų8555.3 Ų55.352%0.51531%0.307SS..EExtended strand (participates in β ladder)trans-115.7131.9174.8-178.50000109.7E1026 K1027E1026-V1046 CarbonylContact O-C 3.59Å; E1026-V1046 WeakPolarHBondContact O-CA 3.38Å; K1027-V1046 HydrophobicContact CG-CG2 4.31Å
1047T92.9Very high87.6Confident5 Ų552.3 Ų52.33%0.03129%0.285CS..  trans-70.4142.2-179.157.80000113.1F1013 F1023 S1025 E1026 I1028 R1052 I1053F1013-T1047 HydrophobicContact CB-CG2 4.17Å; F1013-T1047 HydrophobicContact CD2-CG2 4.22Å; F1013-T1047 HydrophobicContact CG-CG2 4.44Å; F1023-T1047 WeakPolarHBondContact O-CB 2.76Å; F1023-T1047 PolarHBondContact O-OG1 2.91Å; S1025-T1047 WeakPolarHBondContact CA-O 3.23Å; S1025-T1047 PolarHBondContact N-O 2.87Å; S1025-T1047 PolarHBondContact N-OG1 3.37Å; E1026-T1047 HydrophobicContact CB-CG2 4.37Å; E1026-T1047 PolarHBondContact N-OG1 3.44Å; E1026-T1047 PolarHBondContact O-N 2.98Å; E1026-T1047 PolarHBondContact O-OG1 3.39Å; I1028-T1047 HydrophobicContact CD1-CG2 4.02Å; I1028-T1047 HydrophobicContact CG1-CG2 3.82Å; T1047-R1052 WeakPolarHBondContact CA-O 3.45Å; T1047-I1053 HydrophobicContact CG2-CG2 3.82Å
1048D91.3Very high88.3Confident66 Ų6652.9 Ų52.935%0.35328%0.283SS..  trans-67.7174.2167.975.416.3000112.4S1050 G1051 R1052D1048-S1050 PolarHBondContact O-N 3.1Å; D1048-S1050 VanDerWaalsContact OD1-C 3.28Å; D1048-S1050 WeakPolarHBondContact OD1-CA 3.43Å; D1048-S1050 WeakPolarHBondContact OD1-CB 3.3Å; D1048-S1050 PolarHBondContact OD1-N 3.4Å; D1048-S1050 PolarHBondContact OD1-OG 3.41Å; D1048-S1050 PolarHBondContact OD2-OG 2.8Å; D1048-G1051 PolarHBondContact O-N 3.47Å; D1048-G1051 PolarHBondContact OD1-N 3.23Å; D1048-R1052 PolarHBondContact N-O 2.96Å; D1048-R1052 PolarHBondContact OD1-N 3.42Å
1049S86.7Confident88.3Confident113 Ų11358.5 Ų58.579%0.7930%0.304SS*.THydrogen-bonded Turntrans-64.2-8.8178.355.30000114.8
1050S81.9Confident87.6Confident35 Ų3562.1 Ų62.125%0.24532%0.324CS..THydrogen-bonded Turntrans-100.94.8172.182.90000113.3R1012 S1022 D1048 R1052R1012-S1050 VanDerWaalsContact CZ-O 3.3Å; R1012-S1050 PolarHBondContact NE-O 2.94Å; R1012-S1050 PolarHBondContact NH2-O 3.48Å; S1022-S1050 PolarHBondContact OG-O 3.21Å; D1048-S1050 PolarHBondContact O-N 3.1Å; D1048-S1050 VanDerWaalsContact OD1-C 3.28Å; D1048-S1050 WeakPolarHBondContact OD1-CA 3.43Å; D1048-S1050 WeakPolarHBondContact OD1-CB 3.3Å; D1048-S1050 PolarHBondContact OD1-N 3.4Å; D1048-S1050 PolarHBondContact OD1-OG 3.41Å; D1048-S1050 PolarHBondContact OD2-OG 2.8Å; S1050-R1052 VanDerWaalsContact OG-CD 3.28Å; S1050-R1052 WeakPolarHBondContact OG-CD 3.38Å; S1050-R1052 WeakPolarHBondContact OG-CG 3.14Å; S1050-R1052 PolarHBondContact OG-NE 3.12Å
1051G86.8Confident87.1Confident0 Ų062.6 Ų62.60%032%0.32CS..SBendtrans77.621.7-179.100000114.2R1012 F1013 F1023 D1048R1012-G1051 CarbonylContact C-O 3.55Å; R1012-G1051 WeakPolarHBondContact CA-O 3.37Å; F1013-G1051 PolarHBondContact N-O 3.04Å; F1023-G1051 VanDerWaalsContact O-CA 3.29Å; F1023-G1051 WeakPolarHBondContact O-CA 3.35Å; D1048-G1051 PolarHBondContact O-N 3.47Å; D1048-G1051 PolarHBondContact OD1-N 3.23Å
1052R91.7Very high86.4Confident67 Ų6764.7 Ų64.725%0.25333%0.334SS..EExtended strand (participates in β ladder)trans-103.2146.2-177.3-60.9172.6-173.3-102.54.4112.1G1011 R1012 T1047 D1048 S1050G1011-R1052 VanDerWaalsContact O-CA 3.26Å; G1011-R1052 WeakPolarHBondContact O-CA 3.15Å; R1012-R1052 HydrophobicContact CB-CG 4.27Å; R1012-R1052 HydrophobicContact CG-CG 3.96Å; T1047-R1052 WeakPolarHBondContact CA-O 3.45Å; D1048-R1052 PolarHBondContact N-O 2.96Å; D1048-R1052 PolarHBondContact OD1-N 3.42Å; S1050-R1052 VanDerWaalsContact OG-CD 3.28Å; S1050-R1052 WeakPolarHBondContact OG-CD 3.38Å; S1050-R1052 WeakPolarHBondContact OG-CG 3.14Å; S1050-R1052 PolarHBondContact OG-NE 3.12Å
1053I93.2Very high85.9Confident3 Ų366 Ų662%0.01534%0.34CS..EExtended strand (participates in β ladder)trans-113.1150.6163.260.7173.6000109.9T1010 G1011 F1013 I1028 E1045 T1047 F1055 M1072T1010-I1053 WeakPolarHBondContact CA-O 3.32Å; G1011-I1053 PolarHBondContact N-O 3.39Å; G1011-I1053 VanDerWaalsContact N-O 3.08Å; G1011-I1053 PolarHBondContact O-N 2.76Å; F1013-I1053 HydrophobicContact CE2-CD1 3.85Å; F1013-I1053 HydrophobicContact CE2-CG1 4.09Å; I1028-I1053 HydrophobicContact CB-CD1 4.12Å; I1028-I1053 HydrophobicContact CB-CG2 4.39Å; I1028-I1053 HydrophobicContact CG1-CD1 4.33Å; I1028-I1053 HydrophobicContact CG1-CG2 3.84Å; I1028-I1053 HydrophobicContact CG2-CD1 3.88Å; E1045-I1053 HydrophobicContact CB-CB 4.13Å; E1045-I1053 HydrophobicContact CB-CD1 4.35Å; E1045-I1053 HydrophobicContact CB-CG2 3.83Å; T1047-I1053 HydrophobicContact CG2-CG2 3.82Å; I1053-F1055 HydrophobicContact CD1-CD1 4.15Å; I1053-F1055 HydrophobicContact CD1-CE1 3.91Å; I1053-M1072 HydrophobicContact CD1-SD 3.93Å
1054R92.2Very high85.3Confident174 Ų17469.3 Ų69.366%0.65736%0.361SS*.EExtended strand (participates in β ladder)trans-146.3114.9172.5-60.5-173.6-175.8174.63.1108.4L1008 I1009 T1010L1008-R1054 HydrophobicContact CD1-CB 4.44Å; I1009-R1054 WeakPolarHBondContact O-CA 3.23Å; T1010-R1054 HydrophobicContact CG2-CB 4.32Å; T1010-R1054 HydrophobicContact CG2-CG 3.91Å
1055F90.9Very high84.7Confident10 Ų1070 Ų704%0.04436%0.363CS..EExtended strand (participates in β ladder)trans-143.5158.4-176.669.8-79.7000111.1I1009 V1030 E1045 I1053 L1057 M1072I1009-F1055 HydrophobicContact CB-CD1 4.15Å; I1009-F1055 HydrophobicContact CB-CE1 3.71Å; I1009-F1055 HydrophobicContact CB-CE2 4.16Å; I1009-F1055 HydrophobicContact CB-CZ 3.71Å; I1009-F1055 HydrophobicContact CD1-CD2 4.43Å; I1009-F1055 HydrophobicContact CD1-CE2 3.62Å; I1009-F1055 HydrophobicContact CD1-CZ 3.69Å; I1009-F1055 HydrophobicContact CG1-CE2 4.48Å; I1009-F1055 HydrophobicContact CG1-CZ 4.31Å; I1009-F1055 HydrophobicContact CG2-CD1 4.28Å; I1009-F1055 HydrophobicContact CG2-CE1 3.44Å; I1009-F1055 VanDerWaalsContact CG2-CE1 3.44Å; I1009-F1055 HydrophobicContact CG2-CE2 4.46Å; I1009-F1055 HydrophobicContact CG2-CZ 3.55Å; I1009-F1055 PolarHBondContact N-O 2.85Å; I1009-F1055 PolarHBondContact O-N 2.88Å; V1030-F1055 HydrophobicContact CB-CZ 4.37Å; V1030-F1055 HydrophobicContact CG1-CE2 3.95Å; V1030-F1055 HydrophobicContact CG1-CZ 3.67Å; V1030-F1055 HydrophobicContact CG2-CE1 4.15Å; V1030-F1055 HydrophobicContact CG2-CE2 4.26Å; V1030-F1055 HydrophobicContact CG2-CZ 3.81Å; E1045-F1055 VanDerWaalsContact CD-CB 3.47Å; E1045-F1055 HydrophobicContact CG-CB 3.74Å; E1045-F1055 HydrophobicContact CG-CD1 3.76Å; E1045-F1055 HydrophobicContact CG-CD2 4.47Å; E1045-F1055 HydrophobicContact CG-CE1 4.49Å; E1045-F1055 HydrophobicContact CG-CG 3.75Å; E1045-F1055 WeakPolarHBondContact OE1-CB 3.37Å; I1053-F1055 HydrophobicContact CD1-CD1 4.15Å; I1053-F1055 HydrophobicContact CD1-CE1 3.91Å; F1055-L1057 HydrophobicContact CE2-CD2 4.46Å; F1055-M1072 HydrophobicContact CE1-SD 3.91Å; F1055-M1072 HydrophobicContact CZ-SD 4.22Å
1056S88.1Confident84.1Confident58 Ų5867.7 Ų67.741%0.40636%0.355SS..EExtended strand (participates in β ladder)trans-104.8152.8165.7-61.60000108.6P1007P1007-S1056 WeakPolarHBondContact O-CA 3.42Å
1057L83.3Confident83.7Confident14 Ų1465 Ų657%0.07334%0.337CS..  trans-58.4137169.2-68.8178.8000110.1P1007 I1009 V1042 F1055 L1063 L1086P1007-L1057 HydrophobicContact CG-CB 4.41Å; P1007-L1057 HydrophobicContact CG-CD1 3.82Å; P1007-L1057 HydrophobicContact CG-CG 3.98Å; I1009-L1057 HydrophobicContact CD1-CD2 3.95Å; I1009-L1057 HydrophobicContact CD1-CG 4.08Å; V1042-L1057 HydrophobicContact CG1-CD2 3.83Å; F1055-L1057 HydrophobicContact CE2-CD2 4.46Å; L1057-L1063 HydrophobicContact CD1-CD1 3.53Å; L1057-L1086 HydrophobicContact CD1-CD2 3.65Å
1058P80.4Confident83.4Confident41 Ų4165.8 Ų65.827%0.26634%0.34SS..  trans-55.6140.2175.7-25.433.2000112.1V1042 Q1060 I1061V1042-P1058 HydrophobicContact CG1-CG 4.35Å; P1058-Q1060 PolarHBondContact O-N 2.8Å; P1058-I1061 HydrophobicContact CG-CD1 4.37Å; P1058-I1061 PolarHBondContact O-N 2.95Å
1059E72.2Confident83.3Confident165 Ų16564.4 Ų64.477%0.77133%0.334SS*.THydrogen-bonded Turntrans-59-18.5-174.5-63.4-176.3158.700114.1I1061 H1062E1059-I1061 VanDerWaalsContact C-N 3.29Å; E1059-I1061 PolarHBondContact O-N 2.91Å; E1059-H1062 PolarHBondContact O-CE1 2.96Å; E1059-H1062 PolarHBondContact O-ND1 2.69Å
1060Q70.9Confident83.6Confident157 Ų15759.1 Ų59.173%0.73430%0.297SS*.THydrogen-bonded Turntrans-69-27.5174.2-57.37911.400112.2P1058 H1062P1058-Q1060 PolarHBondContact O-N 2.8Å; Q1060-H1062 PolarHBondContact O-N 3.17Å; Q1060-H1062 PolarHBondContact O-ND1 3.11Å
1061I75.5Confident84.1Confident56 Ų5659.1 Ų59.129%0.28729%0.293SS..  trans-92.483.3-170.8-57-179.6000110V1042 P1058 E1059 L1063V1042-I1061 HydrophobicContact CB-CD1 4.38Å; V1042-I1061 HydrophobicContact CG1-CD1 3.93Å; V1042-I1061 HydrophobicContact CG2-CD1 4.27Å; P1058-I1061 HydrophobicContact CG-CD1 4.37Å; P1058-I1061 PolarHBondContact O-N 2.95Å; E1059-I1061 VanDerWaalsContact C-N 3.29Å; E1059-I1061 PolarHBondContact O-N 2.91Å; I1061-L1063 HydrophobicContact CG2-CD2 4.17Å; I1061-L1063 HydrophobicContact CG2-CG 4.14Å; I1061-L1063 PolarHBondContact O-N 2.8Å
1062H75.4Confident84.5Confident171 Ų17159.1 Ų59.179%0.79229%0.293SS*.  trans-80.4113.9174.3-71.968.3000110.6E1059 Q1060E1059-H1062 PolarHBondContact O-CE1 2.96Å; E1059-H1062 PolarHBondContact O-ND1 2.69Å; Q1060-H1062 PolarHBondContact O-N 3.17Å; Q1060-H1062 PolarHBondContact O-ND1 3.11Å
1063L77.5Confident84.6Confident42 Ų4257 Ų5722%0.2229%0.287CS..  trans-109.1128.3176.9-62.6174.4000109.8I1032 L1057 I1061 Y1068 L1086 I1088I1032-L1063 HydrophobicContact CD1-CD1 3.46Å; I1032-L1063 VanDerWaalsContact CD1-CD1 3.46Å; I1032-L1063 HydrophobicContact CD1-CD2 4.05Å; I1032-L1063 HydrophobicContact CD1-CG 4.39Å; L1057-L1063 HydrophobicContact CD1-CD1 3.53Å; I1061-L1063 HydrophobicContact CG2-CD2 4.17Å; I1061-L1063 HydrophobicContact CG2-CG 4.14Å; I1061-L1063 PolarHBondContact O-N 2.8Å; L1063-Y1068 HydrophobicContact CB-CE1 4.5Å; L1063-Y1068 HydrophobicContact CB-CE2 4.01Å; L1063-Y1068 HydrophobicContact CD1-CD1 4.46Å; L1063-Y1068 HydrophobicContact CD1-CD2 4.17Å; L1063-Y1068 HydrophobicContact CD1-CE2 4.47Å; L1063-Y1068 HydrophobicContact CD1-CG 4.17Å; L1063-Y1068 HydrophobicContact CD2-CD1 4.22Å; L1063-Y1068 HydrophobicContact CD2-CE1 4.04Å; L1063-L1086 HydrophobicContact CD1-CD2 4.14Å; L1063-I1088 HydrophobicContact CB-CD1 3.38Å; L1063-I1088 HydrophobicContact CD1-CD1 4.06Å; L1063-I1088 HydrophobicContact CG-CD1 4.36Å
1064P79.5Confident84.5Confident87 Ų8756.9 Ų56.957%0.56529%0.287SS*.  trans-72.9175.6174.529.6-33.5000112.1G1066 Y1068P1064-G1066 PolarHBondContact O-N 2.75Å; P1064-Y1068 VanDerWaalsContact CD-OH 3.25Å; P1064-Y1068 WeakPolarHBondContact CD-OH 3.4Å; P1064-Y1068 WeakPolarHBondContact CG-OH 3.41Å; P1064-Y1068 VanDerWaalsContact O-CE2 3.27Å; P1064-Y1068 WeakPolarHBondContact O-CE2 3.25Å; P1064-Y1068 PolarHBondContact O-OH 3.22Å
1065D81.6Confident84.3Confident65 Ų6553.7 Ų53.735%0.34828%0.279SS..SBendtrans-54.5130174.4-61.1-28000111.2T1003 I1088T1003-D1065 WeakPolarHBondContact CB-OD1 3.36Å; T1003-D1065 VanDerWaalsContact CG2-OD1 3.22Å; T1003-D1065 WeakPolarHBondContact CG2-OD1 3.5Å; T1003-D1065 PolarHBondContact OG1-OD1 2.9Å; D1065-I1088 CarbonylContact C-O 3.37Å; D1065-I1088 WeakPolarHBondContact CA-O 3.37Å
1066G81Confident83.8Confident8 Ų856.2 Ų56.28%0.08230%0.298CS..EExtended strand (participates in β ladder)trans162.1-173.9-172.900000114.7P1064 A1087 I1088P1064-G1066 PolarHBondContact O-N 2.75Å; G1066-A1087 WeakPolarHBondContact O-CA 3.46Å; G1066-I1088 PolarHBondContact N-O 3.36Å; G1066-I1088 PolarHBondContact O-N 3.12Å
1067L84.6Confident83.6Confident29 Ų2954 Ų5415%0.15228%0.282CS..EExtended strand (participates in β ladder)trans-116.2125.4178.2-59.2177.2000109.1T1085 A1087 F1160 M1162 M1257L1067-T1085 HydrophobicContact CB-CG2 4.06Å; L1067-T1085 HydrophobicContact CD2-CG2 4.3Å; L1067-A1087 HydrophobicContact CD2-CB 3.49Å; L1067-A1087 VanDerWaalsContact CD2-CB 3.49Å; L1067-F1160 HydrophobicContact CD1-CD1 4.1Å; L1067-F1160 HydrophobicContact CD1-CE1 3.7Å; L1067-F1160 HydrophobicContact CD1-CZ 4.49Å; L1067-F1160 HydrophobicContact CD2-CE1 4.49Å; L1067-M1162 HydrophobicContact CD2-SD 4.4Å; L1067-M1257 HydrophobicContact CD2-CE 3.97Å; L1067-M1257 HydrophobicContact CG-CE 4.17Å
1068Y85.9Confident83.6Confident21 Ų2157.1 Ų57.18%0.08230%0.303CS..EExtended strand (participates in β ladder)trans-126.2111.5-174.1-58.2-80.6000111I1032 L1063 P1064 I1070 L1086 I1088I1032-Y1068 HydrophobicContact CD1-CD1 4.42Å; I1032-Y1068 HydrophobicContact CD1-CG 4.36Å; L1063-Y1068 HydrophobicContact CB-CE1 4.5Å; L1063-Y1068 HydrophobicContact CB-CE2 4.01Å; L1063-Y1068 HydrophobicContact CD1-CD1 4.46Å; L1063-Y1068 HydrophobicContact CD1-CD2 4.17Å; L1063-Y1068 HydrophobicContact CD1-CE2 4.47Å; L1063-Y1068 HydrophobicContact CD1-CG 4.17Å; L1063-Y1068 HydrophobicContact CD2-CD1 4.22Å; L1063-Y1068 HydrophobicContact CD2-CE1 4.04Å; P1064-Y1068 VanDerWaalsContact CD-OH 3.25Å; P1064-Y1068 WeakPolarHBondContact CD-OH 3.4Å; P1064-Y1068 WeakPolarHBondContact CG-OH 3.41Å; P1064-Y1068 VanDerWaalsContact O-CE2 3.27Å; P1064-Y1068 WeakPolarHBondContact O-CE2 3.25Å; P1064-Y1068 PolarHBondContact O-OH 3.22Å; Y1068-I1070 PolarHBondContact O-N 3.15Å; Y1068-L1086 PolarHBondContact N-O 2.83Å; Y1068-L1086 PolarHBondContact O-N 2.85Å; Y1068-I1088 HydrophobicContact CD2-CD1 4.21Å; Y1068-I1088 HydrophobicContact CD2-CG1 4.31Å; Y1068-I1088 HydrophobicContact CE2-CB 4.45Å; Y1068-I1088 HydrophobicContact CE2-CD1 3.93Å; Y1068-I1088 HydrophobicContact CE2-CG1 4.19Å
1069P90.6Very high83.7Confident37 Ų3760.5 Ų60.524%0.2432%0.319CS..EExtended strand (participates in β ladder)trans-63.9128.1168.9-24.236.7000110.9Q1033 W1039 I1084Q1033-P1069 HydrophobicContact CB-CB 3.98Å; Q1033-P1069 HydrophobicContact CB-CG 4.27Å; Q1033-P1069 PolarHBondContact N-O 3.29Å; W1039-P1069 HydrophobicContact CH2-CB 3.85Å; W1039-P1069 HydrophobicContact CZ3-CB 4.36Å; W1039-P1069 WeakPolarHBondContact CZ3-O 3.41Å; P1069-I1084 WeakPolarHBondContact CA-O 3.29Å
1070I91.5Very high84.2Confident1 Ų155.1 Ų55.11%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-119.3129.6174.4-60.8178000108.1I1009 V1030 E1031 I1032 Y1068 M1072 I1083 I1084 L1086I1009-I1070 HydrophobicContact CD1-CD1 3.56Å; V1030-I1070 HydrophobicContact CG1-CG2 3.8Å; E1031-I1070 CarbonylContact O-C 3.56Å; E1031-I1070 WeakPolarHBondContact O-CA 3.26Å; I1032-I1070 HydrophobicContact CD1-CG1 4.33Å; I1032-I1070 HydrophobicContact CG1-CG1 4.08Å; Y1068-I1070 PolarHBondContact O-N 3.15Å; I1070-M1072 HydrophobicContact CG2-CG 4.2Å; I1070-I1083 WeakPolarHBondContact O-CA 3.44Å; I1070-I1084 HydrophobicContact CB-CG1 4.04Å; I1070-I1084 PolarHBondContact N-O 2.9Å; I1070-I1084 PolarHBondContact O-N 2.86Å; I1070-L1086 HydrophobicContact CD1-CB 3.75Å; I1070-L1086 HydrophobicContact CD1-CD2 3.96Å; I1070-L1086 HydrophobicContact CG1-CB 4.42Å
1071K93.4Very high85.1Confident36 Ų3649.3 Ų49.316%0.15727%0.27CS..EExtended strand (participates in β ladder)trans-114.9124.6-179.4-178.5-174.366.6178.20109E1031 W1039 P1081 V1082 I1083E1031-K1071 PolarHBondContact N-O 2.82Å; E1031-K1071 PolarHBondContact O-N 2.74Å; E1031-K1071 WeakPolarHBondContact OE2-CE 3.43Å; E1031-K1071 IonicContact OE2-NZ 3.11Å; E1031-K1071 PolarHBondContact OE2-NZ 2.69Å; W1039-K1071 HydrophobicContact CD2-CB 4.34Å; W1039-K1071 HydrophobicContact CD2-CD 4.27Å; W1039-K1071 HydrophobicContact CE3-CB 3.75Å; W1039-K1071 HydrophobicContact CE3-CD 4.5Å; W1039-K1071 HydrophobicContact CH2-CB 3.64Å; W1039-K1071 HydrophobicContact CZ2-CB 4.22Å; W1039-K1071 HydrophobicContact CZ2-CD 4.35Å; W1039-K1071 HydrophobicContact CZ3-CB 3.36Å; K1071-P1081 HydrophobicContact CD-CB 4.26Å; K1071-P1081 HydrophobicContact CG-CB 3.89Å; K1071-V1082 CarbonylContact C-O 3.51Å; K1071-V1082 WeakPolarHBondContact CA-O 3.2Å; K1071-I1083 HydrophobicContact CB-CG1 4.26Å; K1071-I1083 HydrophobicContact CG-CG1 4.14Å
1072M94.5Very high85.8Confident0 Ų046.7 Ų46.70%026%0.256CS..EExtended strand (participates in β ladder)trans-119.5116.9-178.5-61.2172.7-72.600108.7A996 I1009 F1013 I1028 R1029 V1030 I1053 F1055 I1070 V1082 I1084A996-M1072 HydrophobicContact CB-CE 3.66Å; I1009-M1072 HydrophobicContact CG2-SD 4Å; F1013-M1072 HydrophobicContact CZ-CB 3.9Å; I1028-M1072 HydrophobicContact CG2-CB 3.74Å; R1029-M1072 WeakPolarHBondContact O-CA 3.21Å; V1030-M1072 HydrophobicContact CG1-CG 4.27Å; V1030-M1072 HydrophobicContact CG2-CG 4.24Å; I1053-M1072 HydrophobicContact CD1-SD 3.93Å; F1055-M1072 HydrophobicContact CE1-SD 3.91Å; F1055-M1072 HydrophobicContact CZ-SD 4.22Å; I1070-M1072 HydrophobicContact CG2-CG 4.2Å; M1072-V1082 HydrophobicContact CB-CB 4.32Å; M1072-V1082 HydrophobicContact CE-CB 4.2Å; M1072-V1082 HydrophobicContact CE-CG1 3.75Å; M1072-V1082 PolarHBondContact N-O 3.21Å; M1072-V1082 PolarHBondContact O-N 2.91Å; M1072-I1084 HydrophobicContact CE-CD1 3.75Å; M1072-I1084 HydrophobicContact CE-CG1 3.97Å; M1072-I1084 HydrophobicContact CE-CG2 4.43Å
1073T94.2Very high86.5Confident21 Ų2142.7 Ų42.713%0.12924%0.239CC..EExtended strand (participates in β ladder)trans-123.1130.4-168.7-45.40000109.7I1028 R1029 P1078 P1081I1028-T1073 CarbonylContact C-O 3.27Å; I1028-T1073 WeakPolarHBondContact CA-O 3.24Å; R1029-T1073 PolarHBondContact N-O 2.86Å; R1029-T1073 PolarHBondContact O-N 2.87Å; T1073-P1078 HydrophobicContact CG2-CB 4.47Å; T1073-P1081 HydrophobicContact CG2-CB 4.34Å
1074A91.6Very high87.2Confident2 Ų240.8 Ų40.82%0.01723%0.23CC..EExtended strand (participates in β ladder)trans-76.9141.8175.100000110.3F1013 F1023 E1026 K1027 I1028 S1076 D1077F1013-A1074 HydrophobicContact CD1-CB 4.29Å; F1023-A1074 HydrophobicContact CD1-CB 4.21Å; F1023-A1074 HydrophobicContact CE1-CB 4.06Å; E1026-A1074 HydrophobicContact CG-CB 4.08Å; K1027-A1074 WeakPolarHBondContact O-CA 3.46Å; I1028-A1074 HydrophobicContact CD1-CB 3.79Å; A1074-S1076 PolarHBondContact O-N 2.82Å; A1074-D1077 HydrophobicContact CB-CB 4.17Å; A1074-D1077 CarbonylContact O-C 3.54Å; A1074-D1077 PolarHBondContact O-N 2.8Å
1075E87.3Confident87.7Confident107 Ų10737.5 Ų37.550%0.521%0.208SC..THydrogen-bonded Turntrans-62.7-28.4176.6-79.8-171.6-16600112.2E1026 K1027E1026-E1075 PolarHBondContact OE1-N 3.37Å; E1026-E1075 VanDerWaalsContact OE1-N 3.08Å; K1027-E1075 HydrophobicContact CB-CG 4.08Å; K1027-E1075 HydrophobicContact CD-CG 4.33Å; K1027-E1075 WeakPolarHBondContact CD-OE1 3.07Å; K1027-E1075 VanDerWaalsContact CD-OE2 3.25Å; K1027-E1075 WeakPolarHBondContact CD-OE2 3.38Å; K1027-E1075 VanDerWaalsContact NZ-CD 3.3Å; K1027-E1075 IonicContact NZ-OE1 3.6Å; K1027-E1075 PolarHBondContact NZ-OE1 2.92Å; K1027-E1075 IonicContact NZ-OE2 2.85Å; K1027-E1075 PolarHBondContact NZ-OE2 3.28Å; K1027-E1075 PolarHBondContact O-N 3.46Å
1076S80.4Confident88.2Confident63 Ų6334.4 Ų34.444%0.44119%0.191SC..THydrogen-bonded Turntrans-101.3-0.4178.462.40000115.4F1023 E1026 A1074F1023-S1076 WeakPolarHBondContact CE1-OG 3.44Å; F1023-S1076 WeakPolarHBondContact CZ-OG 3.48Å; E1026-S1076 WeakPolarHBondContact OE1-CB 3.41Å; E1026-S1076 PolarHBondContact OE1-N 2.99Å; E1026-S1076 PolarHBondContact OE1-OG 2.8Å; E1026-S1076 PolarHBondContact OE2-OG 2.8Å; A1074-S1076 PolarHBondContact O-N 2.82Å
1077D83.8Confident88.6Confident12 Ų1234 Ų346%0.06419%0.187CC..EExtended strand (participates in β ladder)trans-140.371169.9-170.53.5000110.3A992 H994 F1015 F1023 A1074 D1079 H1080A992-D1077 WeakPolarHBondContact CB-OD2 3.19Å; H994-D1077 IonicContact CD2-OD2 3.56Å; H994-D1077 IonicContact CE1-OD2 3.44Å; H994-D1077 IonicContact NE2-OD2 3.32Å; H994-D1077 PolarHBondContact NE2-OD2 3.22Å; F1015-D1077 HydrophobicContact CZ-CB 4.16Å; F1015-D1077 VanDerWaalsContact CZ-OD2 3.24Å; F1015-D1077 WeakPolarHBondContact CZ-OD2 3.3Å; F1023-D1077 HydrophobicContact CE1-CB 3.99Å; F1023-D1077 HydrophobicContact CZ-CB 4.47Å; A1074-D1077 HydrophobicContact CB-CB 4.17Å; A1074-D1077 CarbonylContact O-C 3.54Å; A1074-D1077 PolarHBondContact O-N 2.8Å; D1077-D1079 PolarHBondContact O-N 2.93Å; D1077-H1080 IonicContact OD1-CE1 3.47Å; D1077-H1080 IonicContact OD1-CG 3.35Å; D1077-H1080 PolarHBondContact OD1-N 3.13Å; D1077-H1080 IonicContact OD1-ND1 2.84Å; D1077-H1080 PolarHBondContact OD1-ND1 3.35Å; D1077-H1080 WeakPolarHBondContact OD2-CB 3.43Å; D1077-H1080 IonicContact OD2-CG 2.71Å; D1077-H1080 IonicContact OD2-ND1 2.81Å; D1077-H1080 PolarHBondContact OD2-ND1 3.31Å
1078P84.4Confident88.8Confident79 Ų7933.2 Ų33.251%0.51318%0.183SC..EExtended strand (participates in β ladder)trans-67.9-23.2-179.729.2-35.6000112.7T1073T1073-P1078 HydrophobicContact CG2-CB 4.47Å
1079D81.4Confident88.9Confident112 Ų11232.2 Ų32.260%0.59918%0.179SC*.EExtended strand (participates in β ladder)trans-82.8-9.7-174.6-61.3-42.3000113.3D1077 P1081 Y1272D1077-D1079 PolarHBondContact O-N 2.93Å; D1079-P1081 WeakPolarHBondContact O-CD 3.3Å; D1079-Y1272 WeakPolarHBondContact O-CE1 3.45Å; D1079-Y1272 PolarHBondContact O-OH 3.08Å
1080H83.5Confident88.8Confident52 Ų5231.3 Ų31.324%0.24117%0.173CC..EExtended strand (participates in β ladder)trans-123.655.3178.4-57.493.5000114.5A992 D1077A992-H1080 HydrophobicContact CB-CB 3.57Å; A992-H1080 VanDerWaalsContact CB-CG 3.43Å; D1077-H1080 IonicContact OD1-CE1 3.47Å; D1077-H1080 IonicContact OD1-CG 3.35Å; D1077-H1080 PolarHBondContact OD1-N 3.13Å; D1077-H1080 IonicContact OD1-ND1 2.84Å; D1077-H1080 PolarHBondContact OD1-ND1 3.35Å; D1077-H1080 WeakPolarHBondContact OD2-CB 3.43Å; D1077-H1080 IonicContact OD2-CG 2.71Å; D1077-H1080 IonicContact OD2-ND1 2.81Å; D1077-H1080 PolarHBondContact OD2-ND1 3.31Å
1081P89.7Confident88.6Confident35 Ų3534.7 Ų34.723%0.22720%0.196CC..EExtended strand (participates in β ladder)trans-63.2146.8-178.528.7-35.9000112.7K1071 T1073 D1079K1071-P1081 HydrophobicContact CD-CB 4.26Å; K1071-P1081 HydrophobicContact CG-CB 3.89Å; T1073-P1081 HydrophobicContact CG2-CB 4.34Å; D1079-P1081 WeakPolarHBondContact O-CD 3.3Å
1082V89.2Confident88.5Confident1 Ų137.2 Ų37.21%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-95.8107.8175.8-177.50000109.4H994 A996 F1013 K1071 M1072H994-V1082 VanDerWaalsContact C-CG2 3.44Å; H994-V1082 HydrophobicContact CB-CG2 3.43Å; H994-V1082 VanDerWaalsContact CB-CG2 3.43Å; A996-V1082 HydrophobicContact CB-CG1 3.88Å; F1013-V1082 HydrophobicContact CE1-CG2 3.74Å; F1013-V1082 HydrophobicContact CZ-CB 4.31Å; F1013-V1082 HydrophobicContact CZ-CG2 3.8Å; K1071-V1082 CarbonylContact C-O 3.51Å; K1071-V1082 WeakPolarHBondContact CA-O 3.2Å; M1072-V1082 HydrophobicContact CB-CB 4.32Å; M1072-V1082 HydrophobicContact CE-CB 4.2Å; M1072-V1082 HydrophobicContact CE-CG1 3.75Å; M1072-V1082 PolarHBondContact N-O 3.21Å; M1072-V1082 PolarHBondContact O-N 2.91Å
1083I90.2Very high88.3Confident86 Ų8637.5 Ų37.544%0.44121%0.209SC..EExtended strand (participates in β ladder)trans-92.2140.2168.4-55.1177000109.8I1070 K1071 R1146I1070-I1083 WeakPolarHBondContact O-CA 3.44Å; K1071-I1083 HydrophobicContact CB-CG1 4.26Å; K1071-I1083 HydrophobicContact CG-CG1 4.14Å; I1083-R1146 PolarHBondContact O-NH1 2.8Å; I1083-R1146 PolarHBondContact O-NH2 2.85Å
1084I92.3Very high88.2Confident3 Ų336.7 Ų36.72%0.01520%0.204CC..EExtended strand (participates in β ladder)trans-140.4165.6168.656.2171.9000109.9A996 N997 D998 V999 I1009 P1069 I1070 M1072A996-I1084 HydrophobicContact CB-CD1 4.45Å; A996-I1084 HydrophobicContact CB-CG2 3.55Å; N997-I1084 WeakPolarHBondContact O-CG2 3.39Å; D998-I1084 VanDerWaalsContact OD1-CA 3.3Å; D998-I1084 WeakPolarHBondContact OD1-CA 3.1Å; D998-I1084 WeakPolarHBondContact OD1-CB 3.37Å; V999-I1084 HydrophobicContact CG2-CD1 4.48Å; I1009-I1084 HydrophobicContact CG2-CD1 3.78Å; P1069-I1084 WeakPolarHBondContact CA-O 3.29Å; I1070-I1084 HydrophobicContact CB-CG1 4.04Å; I1070-I1084 PolarHBondContact N-O 2.9Å; I1070-I1084 PolarHBondContact O-N 2.86Å; M1072-I1084 HydrophobicContact CE-CD1 3.75Å; M1072-I1084 HydrophobicContact CE-CG1 3.97Å; M1072-I1084 HydrophobicContact CE-CG2 4.43Å
1085T91.1Very high88.3Confident17 Ų1736.6 Ų36.610%0.10420%0.204CC..EExtended strand (participates in β ladder)trans-103.8134.7164.8-49.90000111.1D998 V999 L1067 F1160 M1162D998-T1085 WeakPolarHBondContact CA-O 3.44Å; D998-T1085 WeakPolarHBondContact CB-O 3.49Å; D998-T1085 PolarHBondContact OD1-N 3.28Å; V999-T1085 PolarHBondContact N-O 2.93Å; L1067-T1085 HydrophobicContact CB-CG2 4.06Å; L1067-T1085 HydrophobicContact CD2-CG2 4.3Å; T1085-F1160 HydrophobicContact CG2-CZ 3.96Å; T1085-M1162 HydrophobicContact CG2-CE 4.32Å; T1085-M1162 HydrophobicContact CG2-SD 4.23Å; T1085-M1162 WeakPolarHBondContact O-CE 3.38Å
1086L91.2Very high88.7Confident0 Ų031.5 Ų31.50%018%0.18CC..EExtended strand (participates in β ladder)trans-97.2118.9160.7167.562.8000108.7V999 T1001 P1007 L1057 L1063 Y1068 I1070 I1088V999-L1086 HydrophobicContact CB-CD1 3.97Å; V999-L1086 HydrophobicContact CG1-CD1 3.75Å; V999-L1086 CarbonylContact O-C 3.49Å; V999-L1086 WeakPolarHBondContact O-CA 3.49Å; T1001-L1086 HydrophobicContact CG2-CD1 4.1Å; P1007-L1086 HydrophobicContact CB-CD1 3.6Å; P1007-L1086 HydrophobicContact CB-CD2 4.27Å; P1007-L1086 HydrophobicContact CG-CD1 4.12Å; P1007-L1086 HydrophobicContact CG-CD2 3.89Å; L1057-L1086 HydrophobicContact CD1-CD2 3.65Å; L1063-L1086 HydrophobicContact CD1-CD2 4.14Å; Y1068-L1086 PolarHBondContact N-O 2.83Å; Y1068-L1086 PolarHBondContact O-N 2.85Å; I1070-L1086 HydrophobicContact CD1-CB 3.75Å; I1070-L1086 HydrophobicContact CD1-CD2 3.96Å; I1070-L1086 HydrophobicContact CG1-CB 4.42Å; L1086-I1088 HydrophobicContact CD1-CG1 4.36Å; L1086-I1088 HydrophobicContact CD2-CD1 4.34Å; L1086-I1088 HydrophobicContact CD2-CG1 4.32Å; L1086-I1088 HydrophobicContact CG-CG1 4.13Å
1087A90.4Very high89.5Confident0 Ų028.5 Ų28.50%016%0.159CC..EExtended strand (participates in β ladder)trans-98.8122168.200000110V999 I1000 T1001 G1066 L1067 V1089 M1162V999-A1087 PolarHBondContact O-N 3.46Å; I1000-A1087 CarbonylContact C-O 3.51Å; I1000-A1087 WeakPolarHBondContact CA-O 3.46Å; I1000-A1087 HydrophobicContact CG1-CB 4.24Å; I1000-A1087 HydrophobicContact CG2-CB 4.27Å; T1001-A1087 PolarHBondContact N-O 3.19Å; G1066-A1087 WeakPolarHBondContact O-CA 3.46Å; L1067-A1087 HydrophobicContact CD2-CB 3.49Å; L1067-A1087 VanDerWaalsContact CD2-CB 3.49Å; A1087-V1089 HydrophobicContact CB-CG1 4.05Å; A1087-M1162 HydrophobicContact CB-CE 3.58Å; A1087-M1162 HydrophobicContact CB-SD 3.98Å
1088I88.2Confident90Very high12 Ų1228 Ų286%0.06216%0.156CC..EExtended strand (participates in β ladder)trans-102.8118.1168.4-56.6-179.3000106.1T1001 L1063 D1065 G1066 Y1068 L1086T1001-I1088 HydrophobicContact CG2-CB 4.3Å; T1001-I1088 HydrophobicContact CG2-CG1 3.8Å; T1001-I1088 HydrophobicContact CG2-CG2 4.37Å; L1063-I1088 HydrophobicContact CB-CD1 3.38Å; L1063-I1088 HydrophobicContact CD1-CD1 4.06Å; L1063-I1088 HydrophobicContact CG-CD1 4.36Å; D1065-I1088 CarbonylContact C-O 3.37Å; D1065-I1088 WeakPolarHBondContact CA-O 3.37Å; G1066-I1088 PolarHBondContact N-O 3.36Å; G1066-I1088 PolarHBondContact O-N 3.12Å; Y1068-I1088 HydrophobicContact CD2-CD1 4.21Å; Y1068-I1088 HydrophobicContact CD2-CG1 4.31Å; Y1068-I1088 HydrophobicContact CE2-CB 4.45Å; Y1068-I1088 HydrophobicContact CE2-CD1 3.93Å; Y1068-I1088 HydrophobicContact CE2-CG1 4.19Å; L1086-I1088 HydrophobicContact CD1-CG1 4.36Å; L1086-I1088 HydrophobicContact CD2-CD1 4.34Å; L1086-I1088 HydrophobicContact CD2-CG1 4.32Å; L1086-I1088 HydrophobicContact CG-CG1 4.13Å
1089V88.2Confident90.4Very high0 Ų024.2 Ų24.20%013%0.132CC..EExtended strand (participates in β ladder)trans-131.2146.5-169.9-55.70000112.5I1000 T1001 T1002 T1003 A1087 T1093 L1134 L1190 M1257I1000-V1089 HydrophobicContact CG2-CG1 4.29Å; I1000-V1089 HydrophobicContact CG2-CG2 3.75Å; T1001-V1089 PolarHBondContact O-N 2.9Å; T1002-V1089 CarbonylContact C-O 3.55Å; T1002-V1089 WeakPolarHBondContact CA-O 3.47Å; T1003-V1089 PolarHBondContact N-O 3.28Å; T1003-V1089 PolarHBondContact OG1-O 2.82Å; A1087-V1089 HydrophobicContact CB-CG1 4.05Å; V1089-T1093 HydrophobicContact CB-CG2 4.2Å; V1089-T1093 HydrophobicContact CG1-CG2 4.49Å; V1089-L1134 HydrophobicContact CG1-CD2 4.24Å; V1089-L1190 HydrophobicContact CG2-CD2 3.83Å; V1089-M1257 HydrophobicContact CB-CG 4.22Å; V1089-M1257 HydrophobicContact CG1-CE 4Å; V1089-M1257 HydrophobicContact CG1-CG 4.05Å; V1089-M1257 HydrophobicContact CG1-SD 4.28Å
1090P88.1Confident90.8Very high19 Ų1919 Ų1912%0.12310%0.103CC..  trans-56.1148.9169.6-26.234000112.6T1003 T1093T1003-P1090 WeakPolarHBondContact OG1-CA 3.32Å; P1090-T1093 WeakPolarHBondContact CD-OG1 3.44Å; P1090-T1093 WeakPolarHBondContact O-CB 3.42Å; P1090-T1093 PolarHBondContact O-N 2.92Å; P1090-T1093 PolarHBondContact O-OG1 3.49Å
1091P88.3Confident90.7Very high72 Ų7218.7 Ų18.747%0.46810%0.104SC..THydrogen-bonded Turntrans-48.7144.6165.2-23.931.3000111.9T1002 T1093T1002-P1091 HydrophobicContact CG2-CB 4.45Å; T1002-P1091 HydrophobicContact CG2-CG 3.67Å; P1091-T1093 PolarHBondContact O-N 2.93Å
1092Q89.5Confident89.8Confident89 Ų8917.6 Ų17.642%0.41610%0.099SC..THydrogen-bonded Turntrans63.215.7-179.8-64.1-73.1-62.200115.5E1094 N1189Q1092-E1094 PolarHBondContact O-N 2.89Å; Q1092-N1189 WeakPolarHBondContact CA-O 3.38Å; Q1092-N1189 PolarHBondContact N-O 2.9Å; Q1092-N1189 PolarHBondContact NE2-OD1 3.38Å
1093T90.6Very high89.2Confident5 Ų517.5 Ų17.53%0.03110%0.098CC..  trans-53.2131.8171.3-70.80000111.1V1089 P1090 P1091 R1191 M1257V1089-T1093 HydrophobicContact CB-CG2 4.2Å; V1089-T1093 HydrophobicContact CG1-CG2 4.49Å; P1090-T1093 WeakPolarHBondContact CD-OG1 3.44Å; P1090-T1093 WeakPolarHBondContact O-CB 3.42Å; P1090-T1093 PolarHBondContact O-N 2.92Å; P1090-T1093 PolarHBondContact O-OG1 3.49Å; P1091-T1093 PolarHBondContact O-N 2.93Å; T1093-R1191 PolarHBondContact O-N 2.84Å; T1093-M1257 HydrophobicContact CG2-CB 4.26Å; T1093-M1257 HydrophobicContact CG2-CG 4.42Å
1094E93.1Very high88.8Confident5 Ų513.4 Ų13.42%0.0238%0.077CC..EExtended strand (participates in β ladder)trans-84.9133.3-174.3-57.6-157.1104.400113.2Q1092 Y1133 L1134 R1191 R1251 A1253 I1254Q1092-E1094 PolarHBondContact O-N 2.89Å; E1094-Y1133 HydrophobicContact CB-CD1 3.64Å; E1094-Y1133 HydrophobicContact CB-CE1 3.72Å; E1094-L1134 PolarHBondContact O-N 3.45Å; E1094-R1191 WeakPolarHBondContact CA-O 3.44Å; E1094-R1191 HydrophobicContact CG-CB 4.4Å; E1094-R1191 IonicContact OE1-CZ 2.88Å; E1094-R1191 IonicContact OE1-NE 2.97Å; E1094-R1191 PolarHBondContact OE1-NE 3.13Å; E1094-R1191 IonicContact OE1-NH2 3.96Å; E1094-R1191 PolarHBondContact OE1-NH2 2.9Å; E1094-R1191 IonicContact OE2-NH2 2.69Å; E1094-R1251 IonicContact OE1-CZ 2.63Å; E1094-R1251 IonicContact OE1-NH1 3.38Å; E1094-R1251 IonicContact OE1-NH2 3.02Å; E1094-R1251 PolarHBondContact OE1-NH2 3.25Å; E1094-R1251 IonicContact OE2-CZ 3.61Å; E1094-R1251 IonicContact OE2-NH1 2.79Å; E1094-R1251 PolarHBondContact OE2-NH1 3.17Å; E1094-R1251 IonicContact OE2-NH2 2.71Å; E1094-R1251 PolarHBondContact OE2-NH2 3.33Å; E1094-A1253 HydrophobicContact CB-CB 4.39Å; E1094-A1253 WeakPolarHBondContact OE2-CA 3.47Å; E1094-I1254 PolarHBondContact OE2-N 3.19Å
1095V94.2Very high87.7Confident0 Ų014 Ų140%08%0.083CC..EExtended strand (participates in β ladder)trans-128148.4-175.8-52.30000112.7V1097 L1134 I1136 L1190 R1191 V1192 H1193V1095-V1097 HydrophobicContact CG2-CG2 4.4Å; V1095-L1134 WeakPolarHBondContact CA-O 3.39Å; V1095-L1134 WeakPolarHBondContact CB-O 3.48Å; V1095-L1134 HydrophobicContact CG1-CB 4.18Å; V1095-L1134 HydrophobicContact CG1-CD2 4.38Å; V1095-I1136 HydrophobicContact CB-CD1 3.88Å; V1095-I1136 HydrophobicContact CB-CG1 4.28Å; V1095-I1136 HydrophobicContact CG1-CD1 4.03Å; V1095-I1136 HydrophobicContact CG2-CD1 3.88Å; V1095-L1190 HydrophobicContact CG1-CB 4.23Å; V1095-L1190 HydrophobicContact CG1-CD1 4.13Å; V1095-L1190 HydrophobicContact CG1-CD2 4.1Å; V1095-L1190 HydrophobicContact CG1-CG 4.39Å; V1095-L1190 HydrophobicContact CG2-CB 4.31Å; V1095-R1191 PolarHBondContact N-O 3.33Å; V1095-V1192 HydrophobicContact CG2-CB 4.18Å; V1095-V1192 HydrophobicContact CG2-CG1 4.39Å; V1095-V1192 HydrophobicContact CG2-CG2 3.8Å; V1095-H1193 PolarHBondContact O-N 2.91Å
1096V95.7Very high85.9Confident0 Ų015.8 Ų15.80%010%0.099CC..EExtended strand (participates in β ladder)trans-117.1124.5170.9175.30000108.6F1098 W1128 Y1133 L1134 L1135 I1136 Y1196V1096-F1098 HydrophobicContact CB-CE2 4.49Å; V1096-F1098 HydrophobicContact CG1-CD2 4.2Å; V1096-F1098 HydrophobicContact CG1-CE2 3.6Å; V1096-F1098 HydrophobicContact CG1-CZ 4.01Å; V1096-W1128 HydrophobicContact CB-CB 4.41Å; V1096-W1128 HydrophobicContact CB-CG 4.4Å; V1096-W1128 HydrophobicContact CG1-CB 4.48Å; V1096-W1128 HydrophobicContact CG1-CD2 4.46Å; V1096-W1128 HydrophobicContact CG1-CG 4.07Å; V1096-W1128 HydrophobicContact CG2-CB 4.14Å; V1096-W1128 HydrophobicContact CG2-CD2 3.97Å; V1096-W1128 HydrophobicContact CG2-CE3 3.99Å; V1096-W1128 HydrophobicContact CG2-CG 4.02Å; V1096-Y1133 HydrophobicContact CG2-CD1 3.89Å; V1096-Y1133 HydrophobicContact CG2-CD2 4.38Å; V1096-Y1133 HydrophobicContact CG2-CG 3.79Å; V1096-L1134 PolarHBondContact N-O 3Å; V1096-L1134 VanDerWaalsContact N-O 3.13Å; V1096-L1135 HydrophobicContact CB-CD2 4.18Å; V1096-I1136 PolarHBondContact O-N 2.87Å; V1096-Y1196 HydrophobicContact CG1-CD2 4.11Å; V1096-Y1196 HydrophobicContact CG1-CE2 3.93Å
1097V95.9Very high83.9Confident0 Ų018.5 Ų18.50%012%0.118CC..EExtended strand (participates in β ladder)trans-104.2128.3-172.7-177.30000110.6V1095 I1136 L1138 L1181 V1192 C1194 G1195 Y1196 Y1205V1095-V1097 HydrophobicContact CG2-CG2 4.4Å; V1097-I1136 WeakPolarHBondContact CA-O 3.39Å; V1097-I1136 HydrophobicContact CG1-CG2 4.26Å; V1097-I1136 HydrophobicContact CG2-CB 4.11Å; V1097-I1136 HydrophobicContact CG2-CD1 4.49Å; V1097-I1136 HydrophobicContact CG2-CG2 4.31Å; V1097-L1138 HydrophobicContact CG1-CB 4.43Å; V1097-L1181 HydrophobicContact CG1-CD1 4.25Å; V1097-L1181 HydrophobicContact CG1-CD2 3.89Å; V1097-L1181 HydrophobicContact CG2-CD1 4.1Å; V1097-L1181 HydrophobicContact CG2-CD2 4.34Å; V1097-V1192 HydrophobicContact CG2-CG1 3.78Å; V1097-V1192 HydrophobicContact CG2-CG2 4.49Å; V1097-C1194 PolarHBondContact N-O 2.75Å; V1097-C1194 VanDerWaalsContact N-O 3.08Å; V1097-G1195 CarbonylContact O-C 3.56Å; V1097-G1195 WeakPolarHBondContact O-CA 3.26Å; V1097-Y1196 PolarHBondContact O-N 3.37Å; V1097-Y1205 HydrophobicContact CB-CE1 4.04Å; V1097-Y1205 HydrophobicContact CG1-CE1 3.87Å
1098F95.7Very high81.7Confident0 Ų027.4 Ų27.40%017%0.165CC..EExtended strand (participates in β ladder)trans-114.9124.3174.6-69.4-87.9000111.3V1096 V1100 F1104 A1125 W1128 L1135 I1136 Y1137 L1138 Y1196V1096-F1098 HydrophobicContact CB-CE2 4.49Å; V1096-F1098 HydrophobicContact CG1-CD2 4.2Å; V1096-F1098 HydrophobicContact CG1-CE2 3.6Å; V1096-F1098 HydrophobicContact CG1-CZ 4.01Å; F1098-V1100 PolarHBondContact O-N 3.41Å; F1098-F1104 HydrophobicContact CB-CE1 4.34Å; F1098-F1104 HydrophobicContact CB-CE2 3.82Å; F1098-F1104 HydrophobicContact CB-CZ 3.49Å; F1098-F1104 VanDerWaalsContact CB-CZ 3.49Å; F1098-F1104 AromaticContact CD1-CE1 3.43Å; F1098-F1104 HydrophobicContact CD1-CE1 3.43Å; F1098-F1104 VanDerWaalsContact CD1-CE1 3.43Å; F1098-F1104 HydrophobicContact CD1-CE2 4.39Å; F1098-F1104 AromaticContact CD1-CZ 3.28Å; F1098-F1104 HydrophobicContact CD1-CZ 3.28Å; F1098-F1104 HydrophobicContact CD2-CZ 4.21Å; F1098-F1104 AromaticContact CE1-CE1 3.92Å; F1098-F1104 HydrophobicContact CE1-CE1 3.92Å; F1098-F1104 AromaticContact CE1-CZ 3.99Å; F1098-F1104 HydrophobicContact CE1-CZ 3.99Å; F1098-F1104 HydrophobicContact CG-CE1 4.08Å; F1098-F1104 HydrophobicContact CG-CE2 4.23Å; F1098-F1104 AromaticContact CG-CZ 3.41Å; F1098-F1104 HydrophobicContact CG-CZ 3.41Å; F1098-F1104 VanDerWaalsContact CG-CZ 3.41Å; F1098-A1125 HydrophobicContact CE2-CB 4.08Å; F1098-A1125 HydrophobicContact CZ-CB 3.93Å; F1098-W1128 AromaticContact CZ-CD1 3.93Å; F1098-L1135 HydrophobicContact CE2-CD2 4.37Å; F1098-I1136 PolarHBondContact N-O 3.33Å; F1098-Y1137 HydrophobicContact CB-CD1 3.89Å; F1098-Y1137 HydrophobicContact CB-CE1 4.12Å; F1098-Y1137 HydrophobicContact CD2-CD1 4.37Å; F1098-Y1137 AromaticContact CD2-CE1 3.93Å; F1098-Y1137 HydrophobicContact CD2-CE1 3.93Å; F1098-Y1137 HydrophobicContact CG-CD1 4.47Å; F1098-Y1137 HydrophobicContact CG-CE1 4.23Å; F1098-L1138 PolarHBondContact O-N 2.94Å; F1098-Y1196 AromaticContact CD1-CD2 3.74Å; F1098-Y1196 HydrophobicContact CD1-CD2 3.74Å; F1098-Y1196 AromaticContact CD1-CG 3.69Å; F1098-Y1196 HydrophobicContact CD1-CG 3.69Å; F1098-Y1196 HydrophobicContact CE1-CD1 4.09Å; F1098-Y1196 AromaticContact CE1-CD2 3.35Å; F1098-Y1196 HydrophobicContact CE1-CD2 3.35Å; F1098-Y1196 AromaticContact CE1-CE2 3.87Å; F1098-Y1196 HydrophobicContact CE1-CE2 3.87Å; F1098-Y1196 AromaticContact CE1-CG 3.5Å; F1098-Y1196 HydrophobicContact CE1-CG 3.5Å; F1098-Y1196 HydrophobicContact CE2-CD2 4.48Å; F1098-Y1196 HydrophobicContact CG-CD2 4.46Å; F1098-Y1196 AromaticContact CZ-CD2 3.77Å; F1098-Y1196 HydrophobicContact CZ-CD2 3.77Å; F1098-Y1196 AromaticContact CZ-CE2 3.95Å; F1098-Y1196 HydrophobicContact CZ-CE2 3.95Å; F1098-Y1196 HydrophobicContact CZ-CG 4.37Å
1099S92.9Very high79.5Confident1 Ų129.1 Ų29.11%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-75.997.1171.4178.80000109.4D1101 G1102 S1103 L1138 K1177 Y1196 D1201S1099-D1101 VanDerWaalsContact C-N 3.29Å; S1099-D1101 PolarHBondContact O-N 3.45Å; S1099-G1102 CarbonylContact O-C 3.15Å; S1099-G1102 PolarHBondContact O-N 2.65Å; S1099-G1102 PolarHBondContact OG-N 3.1Å; S1099-S1103 PolarHBondContact N-OG 3.35Å; S1099-S1103 WeakPolarHBondContact O-CA 3.3Å; S1099-S1103 WeakPolarHBondContact O-CB 3.49Å; S1099-S1103 PolarHBondContact O-N 3Å; S1099-S1103 PolarHBondContact O-OG 3.07Å; S1099-L1138 WeakPolarHBondContact CA-O 3.41Å; S1099-K1177 PolarHBondContact OG-NZ 2.68Å; S1099-Y1196 VanDerWaalsContact CB-O 3.24Å; S1099-Y1196 WeakPolarHBondContact CB-O 3.36Å; S1099-Y1196 PolarHBondContact N-O 3.14Å; S1099-D1201 WeakPolarHBondContact CB-OD2 3.4Å; S1099-D1201 PolarHBondContact OG-OD1 3.19Å; S1099-D1201 PolarHBondContact OG-OD2 3.05Å
1100V88.8Confident77.7Confident1 Ų129.7 Ų29.71%0.00618%0.181CC..Hα-helixtrans-54.3-46-171.3-177.60000112.1F1098 G1102 F1104 L1138 V1149 W1152 M1153F1098-V1100 PolarHBondContact O-N 3.41Å; V1100-G1102 VanDerWaalsContact C-N 3.3Å; V1100-G1102 PolarHBondContact O-N 3.33Å; V1100-F1104 HydrophobicContact CG1-CD2 4.44Å; V1100-F1104 PolarHBondContact O-N 3.19Å; V1100-L1138 PolarHBondContact N-O 2.78Å; V1100-V1149 HydrophobicContact CG1-CG1 3.8Å; V1100-W1152 HydrophobicContact CG1-CZ3 4.2Å; V1100-M1153 HydrophobicContact CG1-SD 4.19Å; V1100-M1153 HydrophobicContact CG2-SD 4.21Å
1101D80.5Confident75.4Confident46 Ų4635.5 Ų35.525%0.24621%0.208CC..Hα-helixtrans-72.5-14.1177.2-62.3-80000115.2S1099 S1139 A1140 R1141S1099-D1101 VanDerWaalsContact C-N 3.29Å; S1099-D1101 PolarHBondContact O-N 3.45Å; D1101-S1139 WeakPolarHBondContact OD2-CA 3.11Å; D1101-S1139 WeakPolarHBondContact OD2-CB 3.46Å; D1101-S1139 PolarHBondContact OD2-OG 2.78Å; D1101-A1140 PolarHBondContact OD2-N 3.18Å; D1101-R1141 WeakPolarHBondContact OD1-CD 3.5Å; D1101-R1141 IonicContact OD1-CZ 3.53Å; D1101-R1141 IonicContact OD1-NE 3.52Å; D1101-R1141 PolarHBondContact OD1-NE 2.71Å; D1101-R1141 IonicContact OD1-NH2 3.87Å; D1101-R1141 PolarHBondContact OD1-NH2 2.82Å; D1101-R1141 VanDerWaalsContact OD1-NH2 3.15Å
1102G72.3Confident73.2Confident12 Ų1232.7 Ų32.712%0.12419%0.192CC..Hα-helixtrans-120-9.8-17400000115.1S1099 V1100 G1197 S1198S1099-G1102 CarbonylContact O-C 3.15Å; S1099-G1102 PolarHBondContact O-N 2.65Å; S1099-G1102 PolarHBondContact OG-N 3.1Å; V1100-G1102 VanDerWaalsContact C-N 3.3Å; V1100-G1102 PolarHBondContact O-N 3.33Å; G1102-G1197 CarbonylContact O-C 3.42Å; G1102-G1197 VanDerWaalsContact O-C 3.23Å; G1102-S1198 PolarHBondContact O-N 3.36Å
1103S76.3Confident71.3Confident0 Ų033.9 Ų33.90%020%0.196CC..Hα-helixtrans-114.2-38.9-174.7-67.20000113.2S1099 Y1196 G1197 Y1236S1099-S1103 PolarHBondContact N-OG 3.35Å; S1099-S1103 WeakPolarHBondContact O-CA 3.3Å; S1099-S1103 WeakPolarHBondContact O-CB 3.49Å; S1099-S1103 PolarHBondContact O-N 3Å; S1099-S1103 PolarHBondContact O-OG 3.07Å; S1103-Y1196 WeakPolarHBondContact OG-CB 3.49Å; S1103-Y1196 PolarHBondContact OG-O 2.74Å; S1103-G1197 WeakPolarHBondContact OG-CA 3.1Å; S1103-G1197 PolarHBondContact OG-N 3.13Å; S1103-Y1236 WeakPolarHBondContact CB-OH 3.18Å; S1103-Y1236 WeakPolarHBondContact O-CE2 3.2Å; S1103-Y1236 PolarHBondContact O-OH 3.07Å; S1103-Y1236 VanDerWaalsContact O-OH 3.09Å
1104F82.2Confident69.6Low0 Ų037.5 Ų37.50%022%0.215CC..THydrogen-bonded Turntrans-110.4-46.2-163.9-59.7-33.3000113.4F1098 V1100 A1106 V1117 H1118 A1121 Y1137 W1152 F1158F1098-F1104 HydrophobicContact CB-CE1 4.34Å; F1098-F1104 HydrophobicContact CB-CE2 3.82Å; F1098-F1104 HydrophobicContact CB-CZ 3.49Å; F1098-F1104 VanDerWaalsContact CB-CZ 3.49Å; F1098-F1104 AromaticContact CD1-CE1 3.43Å; F1098-F1104 HydrophobicContact CD1-CE1 3.43Å; F1098-F1104 VanDerWaalsContact CD1-CE1 3.43Å; F1098-F1104 HydrophobicContact CD1-CE2 4.39Å; F1098-F1104 AromaticContact CD1-CZ 3.28Å; F1098-F1104 HydrophobicContact CD1-CZ 3.28Å; F1098-F1104 HydrophobicContact CD2-CZ 4.21Å; F1098-F1104 AromaticContact CE1-CE1 3.92Å; F1098-F1104 HydrophobicContact CE1-CE1 3.92Å; F1098-F1104 AromaticContact CE1-CZ 3.99Å; F1098-F1104 HydrophobicContact CE1-CZ 3.99Å; F1098-F1104 HydrophobicContact CG-CE1 4.08Å; F1098-F1104 HydrophobicContact CG-CE2 4.23Å; F1098-F1104 AromaticContact CG-CZ 3.41Å; F1098-F1104 HydrophobicContact CG-CZ 3.41Å; F1098-F1104 VanDerWaalsContact CG-CZ 3.41Å; V1100-F1104 HydrophobicContact CG1-CD2 4.44Å; V1100-F1104 PolarHBondContact O-N 3.19Å; F1104-A1106 PolarHBondContact O-N 2.94Å; F1104-V1117 CarbonylContact O-C 3.6Å; F1104-V1117 WeakPolarHBondContact O-CA 3.47Å; F1104-H1118 PolarHBondContact O-N 3.41Å; F1104-A1121 HydrophobicContact CD1-CB 3.93Å; F1104-A1121 HydrophobicContact CE1-CB 4.33Å; F1104-Y1137 AromaticContact CE2-CD1 3.83Å; F1104-Y1137 HydrophobicContact CE2-CD1 3.83Å; F1104-Y1137 AromaticContact CE2-CE1 3.68Å; F1104-Y1137 HydrophobicContact CE2-CE1 3.68Å; F1104-Y1137 HydrophobicContact CZ-CD1 4.33Å; F1104-Y1137 AromaticContact CZ-CE1 3.85Å; F1104-Y1137 HydrophobicContact CZ-CE1 3.85Å; F1104-W1152 HydrophobicContact CB-CH2 3.87Å; F1104-W1152 HydrophobicContact CB-CZ3 4.33Å; F1104-F1158 HydrophobicContact CB-CZ 3.89Å; F1104-F1158 AromaticContact CD1-CE1 3.69Å; F1104-F1158 HydrophobicContact CD1-CE1 3.69Å; F1104-F1158 AromaticContact CD1-CZ 3.86Å; F1104-F1158 HydrophobicContact CD1-CZ 3.86Å; F1104-F1158 HydrophobicContact CD2-CD1 4.33Å; F1104-F1158 AromaticContact CD2-CE1 3.56Å; F1104-F1158 HydrophobicContact CD2-CE1 3.56Å; F1104-F1158 HydrophobicContact CD2-CE2 4.48Å; F1104-F1158 AromaticContact CD2-CZ 3.64Å; F1104-F1158 HydrophobicContact CD2-CZ 3.64Å; F1104-F1158 AromaticContact CE1-CE1 3.59Å; F1104-F1158 HydrophobicContact CE1-CE1 3.59Å; F1104-F1158 HydrophobicContact CE1-CZ 4.25Å; F1104-F1158 AromaticContact CE2-CD1 3.92Å; F1104-F1158 HydrophobicContact CE2-CD1 3.92Å; F1104-F1158 AromaticContact CE2-CE1 3.45Å; F1104-F1158 HydrophobicContact CE2-CE1 3.45Å; F1104-F1158 VanDerWaalsContact CE2-CE1 3.45Å; F1104-F1158 HydrophobicContact CE2-CZ 4.04Å; F1104-F1158 AromaticContact CG-CE1 3.68Å; F1104-F1158 HydrophobicContact CG-CE1 3.68Å; F1104-F1158 AromaticContact CG-CZ 3.54Å; F1104-F1158 HydrophobicContact CG-CZ 3.54Å; F1104-F1158 HydrophobicContact CZ-CD1 4.02Å; F1104-F1158 AromaticContact CZ-CE1 3.45Å; F1104-F1158 HydrophobicContact CZ-CE1 3.45Å; F1104-F1158 VanDerWaalsContact CZ-CE1 3.45Å; F1104-F1158 HydrophobicContact CZ-CZ 4.32Å
1105A68.3Low68.3Low16 Ų1637.6 Ų37.613%0.13222%0.216CC..BIsolated β-bridgetrans-73.4113.7-179.200000111.8S1107 L1110 W1152A1105-S1107 PolarHBondContact O-N 2.86Å; A1105-L1110 HydrophobicContact CB-CD1 3.79Å; A1105-L1110 HydrophobicContact CB-CG 4.25Å; A1105-W1152 HydrophobicContact CB-CH2 4.42Å
1106A54.2Low67.1Low54 Ų5445.1 Ų45.145%0.44625%0.249SC..SBendtrans-78.6-5.1179.300000113.8F1104 K1116F1104-A1106 PolarHBondContact O-N 2.94Å; A1106-K1116 WeakPolarHBondContact CB-O 3.26Å; A1106-K1116 PolarHBondContact N-O 3.33Å
1107S49.1Very low66.4Low57 Ų5746.3 Ų46.340%0.39926%0.256SS..SBendtrans-130.1146.1178.357.70000111A1105 S1109A1105-S1107 PolarHBondContact O-N 2.86Å; S1107-S1109 PolarHBondContact O-N 3.24Å
1108L43.2Very low65.8Low187 Ų18748.8 Ų48.898%0.97927%0.267SS*.SBendtrans-79.640.2-171.1-90.7168.4000114.4
1109S43.2Very low65.1Low48 Ų4853.4 Ų53.434%0.33630%0.298SS..  trans-163.8105.7166.8-170.10000114.4S1107 M1111 G1112S1107-S1109 PolarHBondContact O-N 3.24Å; S1109-M1111 PolarHBondContact O-N 3.37Å; S1109-M1111 VanDerWaalsContact OG-CB 3.26Å; S1109-M1111 WeakPolarHBondContact OG-CB 3.32Å; S1109-M1111 PolarHBondContact OG-N 3.39Å; S1109-M1111 VanDerWaalsContact OG-N 3.07Å; S1109-G1112 PolarHBondContact O-N 3.29Å
1110L48.8Very low64.6Low12 Ų1254 Ų546%0.06330%0.304CS..THydrogen-bonded Turntrans-76.718.3158.8-59.3100.6000113.2A1105 P1115 R1141 W1152A1105-L1110 HydrophobicContact CB-CD1 3.79Å; A1105-L1110 HydrophobicContact CB-CG 4.25Å; L1110-P1115 HydrophobicContact CB-CB 4.45Å; L1110-P1115 HydrophobicContact CB-CG 3.9Å; L1110-P1115 HydrophobicContact CD2-CB 4.46Å; L1110-P1115 HydrophobicContact CD2-CG 3.68Å; L1110-P1115 HydrophobicContact CG-CB 3.93Å; L1110-P1115 HydrophobicContact CG-CG 3.54Å; L1110-R1141 VanDerWaalsContact CD1-NH2 3.31Å; L1110-W1152 HydrophobicContact CD2-CD2 3.86Å; L1110-W1152 HydrophobicContact CD2-CE3 3.72Å; L1110-W1152 HydrophobicContact CD2-CG 4.45Å; L1110-W1152 HydrophobicContact CD2-CH2 4.23Å; L1110-W1152 HydrophobicContact CD2-CZ2 4.35Å; L1110-W1152 HydrophobicContact CD2-CZ3 3.93Å
1111M40.3Very low64.7Low140 Ų14054 Ų5469%0.6930%0.304SS*.THydrogen-bonded Turntrans-88.3-15165.2-53.116954.900111.8S1109 R1148S1109-M1111 PolarHBondContact O-N 3.37Å; S1109-M1111 VanDerWaalsContact OG-CB 3.26Å; S1109-M1111 WeakPolarHBondContact OG-CB 3.32Å; S1109-M1111 PolarHBondContact OG-N 3.39Å; S1109-M1111 VanDerWaalsContact OG-N 3.07Å; M1111-R1148 PolarHBondContact O-NH2 3.25Å
1112G42.7Very low65.1Low13 Ų1352.5 Ų52.513%0.13430%0.296CS..SBendtrans-67.9169.2172.500000114.4E380 S1109 R1148E380-G1112 VanDerWaalsContact OE1-C 3.23Å; E380-G1112 WeakPolarHBondContact OE1-CA 3.42Å; S1109-G1112 PolarHBondContact O-N 3.29Å; G1112-R1148 PolarHBondContact O-NH2 3.25Å
1113K48.6Very low65.9Low114 Ų11454.8 Ų54.850%0.49631%0.306SS..SBendtrans-55.8-54.1177.9-85.6171.391.3159.30110.7C378 E380C378-K1113 HydrophobicContact CB-CD 4.18Å; C378-K1113 HydrophobicContact CB-CG 3.66Å; C378-K1113 WeakPolarHBondContact O-CE 3.28Å; C378-K1113 PolarHBondContact O-NZ 2.98Å; E380-K1113 HydrophobicContact CB-CD 4.41Å; E380-K1113 HydrophobicContact CG-CB 3.94Å; E380-K1113 HydrophobicContact CG-CD 4.03Å; E380-K1113 HydrophobicContact CG-CG 3.85Å; E380-K1113 PolarHBondContact OE1-N 3.19Å; E380-K1113 WeakPolarHBondContact OE2-CB 3.24Å
1114D56.5Low66.7Low82 Ų8254.8 Ų54.844%0.43931%0.306SS..SBendtrans-146.689.8-174.5-163.426.1000111.8K1116 H1156D1114-K1116 PolarHBondContact O-N 2.67Å; D1114-H1156 IonicContact OD1-CE1 2.82Å; D1114-H1156 PolarHBondContact OD1-CE1 2.77Å
1115P64.5Low67.1Low7 Ų754.8 Ų54.85%0.04531%0.306CS..PPolyproline II helixtrans-69.2120-179.727.8-32.7000109.7L1110 V1117 W1152L1110-P1115 HydrophobicContact CB-CB 4.45Å; L1110-P1115 HydrophobicContact CB-CG 3.9Å; L1110-P1115 HydrophobicContact CD2-CB 4.46Å; L1110-P1115 HydrophobicContact CD2-CG 3.68Å; L1110-P1115 HydrophobicContact CG-CB 3.93Å; L1110-P1115 HydrophobicContact CG-CG 3.54Å; P1115-V1117 PolarHBondContact O-N 3.05Å; P1115-W1152 HydrophobicContact CG-CD2 4.36Å; P1115-W1152 HydrophobicContact CG-CG 4.35Å; P1115-W1152 HydrophobicContact CG-CZ2 4.27Å; P1115-W1152 VanDerWaalsContact O-CE2 3.26Å; P1115-W1152 WeakPolarHBondContact O-CZ2 3.48Å; P1115-W1152 PolarHBondContact O-NE1 3.22Å
1116K70.3Confident68.2Low158 Ų15858 Ų5869%0.68731%0.314SS*.PPolyproline II helixtrans-61.9135.5-173.8-61.3-177.7-179.1-1800112.7A1106 D1114A1106-K1116 WeakPolarHBondContact CB-O 3.26Å; A1106-K1116 PolarHBondContact N-O 3.33Å; D1114-K1116 PolarHBondContact O-N 2.67Å
1117V80.6Confident70Confident25 Ų2557.2 Ų57.215%0.15230%0.302CS..BIsolated β-bridgetrans-77.3143.9170.1174.50000111.2F1104 P1115 A1121 V1122 W1152 H1156 F1158F1104-V1117 CarbonylContact O-C 3.6Å; F1104-V1117 WeakPolarHBondContact O-CA 3.47Å; P1115-V1117 PolarHBondContact O-N 3.05Å; V1117-A1121 HydrophobicContact CG1-CB 4.32Å; V1117-V1122 HydrophobicContact CG1-CG2 3.9Å; V1117-W1152 HydrophobicContact CG2-CH2 3.7Å; V1117-W1152 HydrophobicContact CG2-CZ2 3.29Å; V1117-H1156 HydrophobicContact CG2-CB 3.87Å; V1117-H1156 WeakPolarHBondContact CG2-CD2 3.32Å; V1117-H1156 VanDerWaalsContact CG2-CG 3.43Å; V1117-F1158 HydrophobicContact CG1-CE2 4.41Å; V1117-F1158 HydrophobicContact CG1-CZ 4.02Å; V1117-F1158 HydrophobicContact CG2-CE2 3.95Å; V1117-F1158 HydrophobicContact CG2-CZ 4.27Å
1118H82.1Confident72.1Confident51 Ų5154.5 Ų54.524%0.23628%0.283CS..PPolyproline II helixtrans-61.7124.2168.6-83.8-68.7000111.6F1104 G1120 A1121 Y1236F1104-H1118 PolarHBondContact O-N 3.41Å; H1118-G1120 PolarHBondContact O-N 2.98Å; H1118-A1121 HydrophobicContact CB-CB 4.06Å; H1118-A1121 WeakPolarHBondContact O-CB 3.49Å; H1118-A1121 PolarHBondContact O-N 3.24Å; H1118-Y1236 HydrophobicContact CB-CD2 3.95Å; H1118-Y1236 HydrophobicContact CB-CE2 4.24Å
1119P81.1Confident74.2Confident98 Ų9847.9 Ų47.964%0.63625%0.246SC*.THydrogen-bonded Turntrans-54.4131.3-179.9-28.435.9000113.2A1121 Y1236 S1237P1119-A1121 VanDerWaalsContact C-N 3.3Å; P1119-A1121 PolarHBondContact O-N 3.38Å; P1119-Y1236 WeakPolarHBondContact O-CB 3.32Å; P1119-S1237 PolarHBondContact O-OG 3.42Å
1120G83.9Confident76Confident14 Ų1446.8 Ų46.814%0.14424%0.243CC..THydrogen-bonded Turntrans80.3-6-176.800000115.8H1118 V1122 D1123 V1124H1118-G1120 PolarHBondContact O-N 2.98Å; G1120-V1122 VanDerWaalsContact C-N 3.34Å; G1120-V1122 PolarHBondContact O-N 3.25Å; G1120-D1123 PolarHBondContact O-N 3.33Å; G1120-V1124 PolarHBondContact O-N 3.46Å; G1120-V1124 VanDerWaalsContact O-N 3.08Å
1121A90.1Very high77.9Confident0 Ų047.5 Ų47.50%025%0.247CC..Hα-helixtrans-68.8-32.5-176.800000113.3F1104 V1117 H1118 P1119 D1123 A1125 Y1236F1104-A1121 HydrophobicContact CD1-CB 3.93Å; F1104-A1121 HydrophobicContact CE1-CB 4.33Å; V1117-A1121 HydrophobicContact CG1-CB 4.32Å; H1118-A1121 HydrophobicContact CB-CB 4.06Å; H1118-A1121 WeakPolarHBondContact O-CB 3.49Å; H1118-A1121 PolarHBondContact O-N 3.24Å; P1119-A1121 VanDerWaalsContact C-N 3.3Å; P1119-A1121 PolarHBondContact O-N 3.38Å; A1121-D1123 VanDerWaalsContact C-N 3.34Å; A1121-A1125 PolarHBondContact O-N 2.91Å; A1121-Y1236 HydrophobicContact CB-CD1 3.99Å; A1121-Y1236 HydrophobicContact CB-CD2 3.59Å; A1121-Y1236 HydrophobicContact CB-CE1 4.13Å; A1121-Y1236 HydrophobicContact CB-CE2 3.73Å; A1121-Y1236 HydrophobicContact CB-CG 3.7Å
1122V89.1Confident80.1Confident14 Ų1441 Ų419%0.08522%0.216CC..Hα-helixtrans-66.2-40.9175.1-164.60000110.4V1117 G1120 A1125 R1126 N1157 F1158V1117-V1122 HydrophobicContact CG1-CG2 3.9Å; G1120-V1122 VanDerWaalsContact C-N 3.34Å; G1120-V1122 PolarHBondContact O-N 3.25Å; V1122-A1125 WeakPolarHBondContact O-CB 3.36Å; V1122-A1125 PolarHBondContact O-N 2.93Å; V1122-A1125 VanDerWaalsContact O-N 3.14Å; V1122-R1126 WeakPolarHBondContact O-CG 3.46Å; V1122-R1126 PolarHBondContact O-N 2.89Å; V1122-N1157 WeakPolarHBondContact CG1-O 3.44Å; V1122-F1158 HydrophobicContact CB-CE1 4.45Å; V1122-F1158 HydrophobicContact CG1-CD1 4.25Å; V1122-F1158 HydrophobicContact CG1-CG 4.33Å; V1122-F1158 HydrophobicContact CG2-CE1 4.11Å; V1122-F1158 HydrophobicContact CG2-CE2 4.11Å; V1122-F1158 HydrophobicContact CG2-CZ 3.87Å
1123D88.6Confident82.4Confident60 Ų6040.4 Ų40.432%0.32121%0.21SC..Hα-helixtrans-73-34.5-176.8-52.8-69000112.2G1120 A1121 A1125 R1126 H1127 L1240G1120-D1123 PolarHBondContact O-N 3.33Å; A1121-D1123 VanDerWaalsContact C-N 3.34Å; D1123-A1125 VanDerWaalsContact C-N 3.32Å; D1123-A1125 PolarHBondContact O-N 2.84Å; D1123-R1126 PolarHBondContact O-N 3.14Å; D1123-R1126 IonicContact OD1-CZ 3.58Å; D1123-R1126 IonicContact OD1-NH1 3.53Å; D1123-R1126 PolarHBondContact OD1-NH1 3.16Å; D1123-H1127 WeakPolarHBondContact O-CB 3.44Å; D1123-H1127 PolarHBondContact O-N 2.81Å; D1123-L1240 HydrophobicContact CB-CD2 3.67Å
1124V93.6Very high84.4Confident0 Ų035.1 Ų35.10%019%0.187CC..Hα-helixtrans-62.1-39167.2170.10000111.3G1120 H1127 W1128 Y1196 Y1236 L1240 L1243G1120-V1124 PolarHBondContact O-N 3.46Å; G1120-V1124 VanDerWaalsContact O-N 3.08Å; V1124-H1127 WeakPolarHBondContact O-CB 3.47Å; V1124-H1127 PolarHBondContact O-N 3.24Å; V1124-W1128 PolarHBondContact O-N 2.97Å; V1124-Y1196 HydrophobicContact CG1-CE1 3.99Å; V1124-Y1236 HydrophobicContact CB-CD1 3.9Å; V1124-Y1236 HydrophobicContact CB-CE1 4.36Å; V1124-Y1236 HydrophobicContact CG1-CD1 4.19Å; V1124-Y1236 HydrophobicContact CG1-CE1 4.28Å; V1124-Y1236 HydrophobicContact CG2-CD1 3.85Å; V1124-L1240 HydrophobicContact CG2-CB 3.74Å; V1124-L1240 HydrophobicContact CG2-CD1 3.95Å; V1124-L1240 HydrophobicContact CG2-CG 4.4Å; V1124-L1243 HydrophobicContact CG1-CD1 3.9Å; V1124-L1243 HydrophobicContact CG2-CD1 4.28Å
1125A91.1Very high86.2Confident0 Ų031.3 Ų31.30%017%0.166CC..Hα-helixtrans-64.4-41.3173.100000112F1098 A1121 V1122 D1123 H1127 W1128 Q1129 L1135 P1159F1098-A1125 HydrophobicContact CE2-CB 4.08Å; F1098-A1125 HydrophobicContact CZ-CB 3.93Å; A1121-A1125 PolarHBondContact O-N 2.91Å; V1122-A1125 WeakPolarHBondContact O-CB 3.36Å; V1122-A1125 PolarHBondContact O-N 2.93Å; V1122-A1125 VanDerWaalsContact O-N 3.14Å; D1123-A1125 VanDerWaalsContact C-N 3.32Å; D1123-A1125 PolarHBondContact O-N 2.84Å; A1125-H1127 VanDerWaalsContact C-N 3.32Å; A1125-H1127 PolarHBondContact O-N 3.22Å; A1125-W1128 PolarHBondContact O-N 2.89Å; A1125-Q1129 PolarHBondContact O-N 3.41Å; A1125-L1135 HydrophobicContact CB-CD1 4.26Å; A1125-P1159 HydrophobicContact CB-CG 3.64Å
1126R90.1Very high87.7Confident83 Ų8331 Ų3131%0.31316%0.164SC..Hα-helixtrans-62.6-38.4176.2-68.6171.3-174.2144.80.5112V1122 D1123 Q1129 G1130 N1157 P1159V1122-R1126 WeakPolarHBondContact O-CG 3.46Å; V1122-R1126 PolarHBondContact O-N 2.89Å; D1123-R1126 PolarHBondContact O-N 3.14Å; D1123-R1126 IonicContact OD1-CZ 3.58Å; D1123-R1126 IonicContact OD1-NH1 3.53Å; D1123-R1126 PolarHBondContact OD1-NH1 3.16Å; R1126-Q1129 WeakPolarHBondContact O-CB 3.44Å; R1126-Q1129 PolarHBondContact O-N 3.08Å; R1126-G1130 PolarHBondContact O-N 3Å; R1126-N1157 PolarHBondContact NH2-O 2.93Å; R1126-P1159 HydrophobicContact CG-CB 4.21Å; R1126-P1159 HydrophobicContact CG-CG 4Å
1127H91.5Very high88.9Confident39 Ų3923.6 Ų23.618%0.18113%0.132CC..Hα-helixtrans-57.9-48.1175.4-177.186.7000111.8D1123 V1124 A1125 Q1129 G1130 L1131 L1240 S1250D1123-H1127 WeakPolarHBondContact O-CB 3.44Å; D1123-H1127 PolarHBondContact O-N 2.81Å; V1124-H1127 WeakPolarHBondContact O-CB 3.47Å; V1124-H1127 PolarHBondContact O-N 3.24Å; A1125-H1127 VanDerWaalsContact C-N 3.32Å; A1125-H1127 PolarHBondContact O-N 3.22Å; H1127-Q1129 PolarHBondContact O-N 2.96Å; H1127-G1130 PolarHBondContact O-N 2.89Å; H1127-L1131 WeakPolarHBondContact NE2-CD1 3.29Å; H1127-L1131 WeakPolarHBondContact O-CG 3.43Å; H1127-L1131 PolarHBondContact O-N 3.44Å; H1127-L1131 VanDerWaalsContact O-N 3.09Å; H1127-L1240 HydrophobicContact CB-CD1 4Å; H1127-S1250 PolarHBondContact CE1-OG 2.89Å; H1127-S1250 PolarHBondContact NE2-OG 3Å
1128W93.6Very high89.5Confident0 Ų022.4 Ų22.40%013%0.125CC..Hα-helixtrans-66.3-35.8175.3-62.9110.5000112.9V1096 F1098 V1124 A1125 L1131 G1132 Y1133 L1135 H1193 Y1196 L1243 L1249V1096-W1128 HydrophobicContact CB-CB 4.41Å; V1096-W1128 HydrophobicContact CB-CG 4.4Å; V1096-W1128 HydrophobicContact CG1-CB 4.48Å; V1096-W1128 HydrophobicContact CG1-CD2 4.46Å; V1096-W1128 HydrophobicContact CG1-CG 4.07Å; V1096-W1128 HydrophobicContact CG2-CB 4.14Å; V1096-W1128 HydrophobicContact CG2-CD2 3.97Å; V1096-W1128 HydrophobicContact CG2-CE3 3.99Å; V1096-W1128 HydrophobicContact CG2-CG 4.02Å; F1098-W1128 AromaticContact CZ-CD1 3.93Å; V1124-W1128 PolarHBondContact O-N 2.97Å; A1125-W1128 PolarHBondContact O-N 2.89Å; W1128-L1131 HydrophobicContact CE3-CD1 4.14Å; W1128-L1131 HydrophobicContact CZ3-CD1 4.27Å; W1128-L1131 PolarHBondContact O-N 3.28Å; W1128-G1132 PolarHBondContact O-N 2.57Å; W1128-Y1133 HydrophobicContact CB-CD2 4.46Å; W1128-Y1133 AromaticContact CE3-CD2 3.72Å; W1128-Y1133 HydrophobicContact CE3-CD2 3.72Å; W1128-Y1133 AromaticContact CE3-CE2 3.59Å; W1128-Y1133 HydrophobicContact CE3-CE2 3.59Å; W1128-Y1133 HydrophobicContact CE3-CG 4.49Å; W1128-Y1133 HydrophobicContact CZ3-CD2 4.47Å; W1128-Y1133 AromaticContact CZ3-CE2 3.9Å; W1128-Y1133 HydrophobicContact CZ3-CE2 3.9Å; W1128-Y1133 WeakPolarHBondContact O-CD2 3.03Å; W1128-Y1133 PolarHBondContact O-N 2.99Å; W1128-Y1133 VanDerWaalsContact O-N 3.14Å; W1128-L1135 HydrophobicContact CB-CD2 3.83Å; W1128-H1193 AromaticContact CH2-NE2 3.83Å; W1128-H1193 AromaticContact CZ3-CD2 3.56Å; W1128-H1193 AromaticContact CZ3-NE2 3.47Å; W1128-H1193 WeakPolarHBondContact CZ3-NE2 3.17Å; W1128-Y1196 WeakPolarHBondContact CZ2-OH 3.32Å; W1128-Y1196 AromaticContact NE1-CE2 3.59Å; W1128-Y1196 AromaticContact NE1-CZ 3.56Å; W1128-Y1196 PolarHBondContact NE1-OH 2.82Å; W1128-L1243 HydrophobicContact CH2-CD2 4.04Å; W1128-L1243 HydrophobicContact CZ2-CD1 3.94Å; W1128-L1243 HydrophobicContact CZ2-CD2 3.65Å; W1128-L1243 HydrophobicContact CZ2-CG 4.49Å; W1128-L1249 HydrophobicContact CH2-CB 4.24Å; W1128-L1249 VanDerWaalsContact CH2-O 3.3Å; W1128-L1249 WeakPolarHBondContact CH2-O 3.45Å; W1128-L1249 VanDerWaalsContact CZ3-O 3.29Å; W1128-L1249 WeakPolarHBondContact CZ3-O 3.38Å
1129Q87.4Confident90Very high47 Ų4720 Ų2022%0.2211%0.114CC..Hα-helixtrans-63.2-44.5173.6-163.7-162.311.700111.7A1125 R1126 H1127 L1131 G1132 L1135 P1159 V1261A1125-Q1129 PolarHBondContact O-N 3.41Å; R1126-Q1129 WeakPolarHBondContact O-CB 3.44Å; R1126-Q1129 PolarHBondContact O-N 3.08Å; H1127-Q1129 PolarHBondContact O-N 2.96Å; Q1129-L1131 VanDerWaalsContact C-N 3.31Å; Q1129-L1131 PolarHBondContact O-N 2.97Å; Q1129-G1132 WeakPolarHBondContact O-CA 3.39Å; Q1129-G1132 PolarHBondContact O-N 2.9Å; Q1129-L1135 HydrophobicContact CB-CD1 4.21Å; Q1129-P1159 HydrophobicContact CB-CB 4.31Å; Q1129-P1159 HydrophobicContact CG-CB 4.42Å; Q1129-V1261 HydrophobicContact CG-CG1 3.95Å
1130G82.3Confident90.3Very high25 Ų2516.4 Ų16.426%0.2589%0.092SC..Hα-helixtrans-63.8-35178.800000113.2R1126 H1127 G1132 R1262R1126-G1130 PolarHBondContact O-N 3Å; H1127-G1130 PolarHBondContact O-N 2.89Å; G1130-G1132 PolarHBondContact O-N 2.78Å; G1130-R1262 PolarHBondContact O-NH2 3.49Å
1131L87.9Confident90.4Very high27 Ų2717.8 Ų17.814%0.1419%0.093CC..THydrogen-bonded Turntrans-71-6.5170.1-68.5175.5000113.8H1127 W1128 Q1129 Y1133 P1252 A1253H1127-L1131 WeakPolarHBondContact NE2-CD1 3.29Å; H1127-L1131 WeakPolarHBondContact O-CG 3.43Å; H1127-L1131 PolarHBondContact O-N 3.44Å; H1127-L1131 VanDerWaalsContact O-N 3.09Å; W1128-L1131 HydrophobicContact CE3-CD1 4.14Å; W1128-L1131 HydrophobicContact CZ3-CD1 4.27Å; W1128-L1131 PolarHBondContact O-N 3.28Å; Q1129-L1131 VanDerWaalsContact C-N 3.31Å; Q1129-L1131 PolarHBondContact O-N 2.97Å; L1131-Y1133 HydrophobicContact CB-CD2 3.87Å; L1131-Y1133 HydrophobicContact CB-CE2 3.84Å; L1131-Y1133 HydrophobicContact CD1-CE2 4.4Å; L1131-P1252 WeakPolarHBondContact O-CA 3.25Å; L1131-A1253 PolarHBondContact O-N 3.24Å
1132G85.5Confident90Very high5 Ų518.4 Ų18.45%0.05210%0.097CC..THydrogen-bonded Turntrans91.413171.900000115.7W1128 Q1129 G1130 A1253W1128-G1132 PolarHBondContact O-N 2.57Å; Q1129-G1132 WeakPolarHBondContact O-CA 3.39Å; Q1129-G1132 PolarHBondContact O-N 2.9Å; G1130-G1132 PolarHBondContact O-N 2.78Å; G1132-A1253 VanDerWaalsContact C-CB 3.49Å; G1132-A1253 WeakPolarHBondContact O-CB 3.26Å
1133Y91.8Very high89.9Confident0 Ų018.1 Ų18.10%010%0.095CC..PPolyproline II helixtrans-76.4141.2175.4-66.6-89.8000111.2E1094 V1096 W1128 L1131 L1135 H1193 R1251 A1253E1094-Y1133 HydrophobicContact CB-CD1 3.64Å; E1094-Y1133 HydrophobicContact CB-CE1 3.72Å; V1096-Y1133 HydrophobicContact CG2-CD1 3.89Å; V1096-Y1133 HydrophobicContact CG2-CD2 4.38Å; V1096-Y1133 HydrophobicContact CG2-CG 3.79Å; W1128-Y1133 HydrophobicContact CB-CD2 4.46Å; W1128-Y1133 AromaticContact CE3-CD2 3.72Å; W1128-Y1133 HydrophobicContact CE3-CD2 3.72Å; W1128-Y1133 AromaticContact CE3-CE2 3.59Å; W1128-Y1133 HydrophobicContact CE3-CE2 3.59Å; W1128-Y1133 HydrophobicContact CE3-CG 4.49Å; W1128-Y1133 HydrophobicContact CZ3-CD2 4.47Å; W1128-Y1133 AromaticContact CZ3-CE2 3.9Å; W1128-Y1133 HydrophobicContact CZ3-CE2 3.9Å; W1128-Y1133 WeakPolarHBondContact O-CD2 3.03Å; W1128-Y1133 PolarHBondContact O-N 2.99Å; W1128-Y1133 VanDerWaalsContact O-N 3.14Å; L1131-Y1133 HydrophobicContact CB-CD2 3.87Å; L1131-Y1133 HydrophobicContact CB-CE2 3.84Å; L1131-Y1133 HydrophobicContact CD1-CE2 4.4Å; Y1133-L1135 PolarHBondContact O-N 2.68Å; Y1133-H1193 HydrophobicContact CD1-CB 4.12Å; Y1133-H1193 HydrophobicContact CE1-CB 3.57Å; Y1133-H1193 AromaticContact CE1-CD2 3.55Å; Y1133-H1193 AromaticContact CE1-CG 3.53Å; Y1133-H1193 AromaticContact CZ-CD2 3.48Å; Y1133-H1193 VanDerWaalsContact CZ-CD2 3.48Å; Y1133-H1193 AromaticContact CZ-CG 3.86Å; Y1133-H1193 AromaticContact CZ-NE2 3.79Å; Y1133-H1193 PolarHBondContact OH-CD2 2.82Å; Y1133-H1193 PolarHBondContact OH-CE1 3.22Å; Y1133-H1193 PolarHBondContact OH-NE2 3.31Å; Y1133-R1251 VanDerWaalsContact CE2-O 3.25Å; Y1133-R1251 WeakPolarHBondContact CE2-O 3.38Å; Y1133-R1251 PolarHBondContact OH-NH1 3.36Å; Y1133-R1251 PolarHBondContact OH-O 3.08Å; Y1133-A1253 HydrophobicContact CD1-CB 3.83Å; Y1133-A1253 HydrophobicContact CD2-CB 3.97Å; Y1133-A1253 HydrophobicContact CE1-CB 3.92Å; Y1133-A1253 HydrophobicContact CE2-CB 4.07Å; Y1133-A1253 HydrophobicContact CG-CB 3.85Å
1134L91.4Very high89.4Confident3 Ų316.4 Ų16.42%0.0169%0.086CC..EExtended strand (participates in β ladder)trans-75.1121.2167.5177.967.1000109I1000 V1089 E1094 V1095 V1096 M1162I1000-L1134 HydrophobicContact CD1-CD2 4.23Å; V1089-L1134 HydrophobicContact CG1-CD2 4.24Å; E1094-L1134 PolarHBondContact O-N 3.45Å; V1095-L1134 WeakPolarHBondContact CA-O 3.39Å; V1095-L1134 WeakPolarHBondContact CB-O 3.48Å; V1095-L1134 HydrophobicContact CG1-CB 4.18Å; V1095-L1134 HydrophobicContact CG1-CD2 4.38Å; V1096-L1134 PolarHBondContact N-O 3Å; V1096-L1134 VanDerWaalsContact N-O 3.13Å; L1134-M1162 HydrophobicContact CD1-CG 3.96Å; L1134-M1162 HydrophobicContact CD2-CG 4.27Å; L1134-M1162 HydrophobicContact CG-CG 4.27Å
1135L94.1Very high88.7Confident1 Ų119.2 Ų19.21%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-83.2138.9-179.5-52.1-170.7000110.6V1096 F1098 A1125 W1128 Q1129 Y1133 Y1137 P1159 G1161 M1162V1096-L1135 HydrophobicContact CB-CD2 4.18Å; F1098-L1135 HydrophobicContact CE2-CD2 4.37Å; A1125-L1135 HydrophobicContact CB-CD1 4.26Å; W1128-L1135 HydrophobicContact CB-CD2 3.83Å; Q1129-L1135 HydrophobicContact CB-CD1 4.21Å; Y1133-L1135 PolarHBondContact O-N 2.68Å; L1135-Y1137 HydrophobicContact CB-CE2 4.33Å; L1135-Y1137 WeakPolarHBondContact CD1-OH 3.45Å; L1135-P1159 HydrophobicContact CD1-CB 4.24Å; L1135-P1159 HydrophobicContact CD1-CG 3.68Å; L1135-G1161 CarbonylContact O-C 3.58Å; L1135-G1161 VanDerWaalsContact O-CA 3.24Å; L1135-G1161 WeakPolarHBondContact O-CA 3.37Å; L1135-M1162 PolarHBondContact O-N 3.24Å
1136I95.5Very high88.3Confident0 Ų020.7 Ų20.70%010%0.104CC..EExtended strand (participates in β ladder)trans-120.4121175.2-67-178.2000109.1I1000 V1095 V1096 V1097 F1098 F1164 L1181 L1190I1000-I1136 HydrophobicContact CD1-CD1 3.95Å; I1000-I1136 HydrophobicContact CD1-CG1 4.25Å; V1095-I1136 HydrophobicContact CB-CD1 3.88Å; V1095-I1136 HydrophobicContact CB-CG1 4.28Å; V1095-I1136 HydrophobicContact CG1-CD1 4.03Å; V1095-I1136 HydrophobicContact CG2-CD1 3.88Å; V1096-I1136 PolarHBondContact O-N 2.87Å; V1097-I1136 WeakPolarHBondContact CA-O 3.39Å; V1097-I1136 HydrophobicContact CG1-CG2 4.26Å; V1097-I1136 HydrophobicContact CG2-CB 4.11Å; V1097-I1136 HydrophobicContact CG2-CD1 4.49Å; V1097-I1136 HydrophobicContact CG2-CG2 4.31Å; F1098-I1136 PolarHBondContact N-O 3.33Å; I1136-F1164 HydrophobicContact CG2-CD2 3.86Å; I1136-F1164 HydrophobicContact CG2-CE2 4.01Å; I1136-L1181 HydrophobicContact CG2-CD1 4.13Å; I1136-L1190 HydrophobicContact CD1-CD1 4.07Å
1137Y95Very high87.7Confident4 Ų420.7 Ų20.72%0.01610%0.104CC..EExtended strand (participates in β ladder)trans-106.9107.6180-65.5-58000110.4F1098 F1104 L1135 M1153 F1158 P1159 M1162 T1163 F1164F1098-Y1137 HydrophobicContact CB-CD1 3.89Å; F1098-Y1137 HydrophobicContact CB-CE1 4.12Å; F1098-Y1137 HydrophobicContact CD2-CD1 4.37Å; F1098-Y1137 AromaticContact CD2-CE1 3.93Å; F1098-Y1137 HydrophobicContact CD2-CE1 3.93Å; F1098-Y1137 HydrophobicContact CG-CD1 4.47Å; F1098-Y1137 HydrophobicContact CG-CE1 4.23Å; F1104-Y1137 AromaticContact CE2-CD1 3.83Å; F1104-Y1137 HydrophobicContact CE2-CD1 3.83Å; F1104-Y1137 AromaticContact CE2-CE1 3.68Å; F1104-Y1137 HydrophobicContact CE2-CE1 3.68Å; F1104-Y1137 HydrophobicContact CZ-CD1 4.33Å; F1104-Y1137 AromaticContact CZ-CE1 3.85Å; F1104-Y1137 HydrophobicContact CZ-CE1 3.85Å; L1135-Y1137 HydrophobicContact CB-CE2 4.33Å; L1135-Y1137 WeakPolarHBondContact CD1-OH 3.45Å; Y1137-M1153 HydrophobicContact CD1-CE 3.67Å; Y1137-M1153 HydrophobicContact CD2-CE 3.62Å; Y1137-M1153 HydrophobicContact CE1-CE 3.86Å; Y1137-M1153 HydrophobicContact CE2-CE 3.78Å; Y1137-M1153 HydrophobicContact CG-CE 3.56Å; Y1137-F1158 HydrophobicContact CE1-CD1 4.49Å; Y1137-P1159 WeakPolarHBondContact CE2-O 3.32Å; Y1137-P1159 WeakPolarHBondContact OH-CG 3.49Å; Y1137-P1159 PolarHBondContact OH-O 3.08Å; Y1137-M1162 PolarHBondContact N-O 2.93Å; Y1137-T1163 HydrophobicContact CD2-CG2 4.45Å; Y1137-F1164 PolarHBondContact O-N 3.17Å
1138L94.2Very high86.9Confident0 Ų025 Ų250%012%0.119CC..EExtended strand (participates in β ladder)trans-118116.7-169.6-178.471000111.5V1097 F1098 S1099 V1100 F1164 K1177 M1180 L1181 L1204V1097-L1138 HydrophobicContact CG1-CB 4.43Å; F1098-L1138 PolarHBondContact O-N 2.94Å; S1099-L1138 WeakPolarHBondContact CA-O 3.41Å; V1100-L1138 PolarHBondContact N-O 2.78Å; L1138-F1164 HydrophobicContact CD1-CB 3.69Å; L1138-K1177 HydrophobicContact CD1-CG 4.14Å; L1138-K1177 HydrophobicContact CD2-CD 4.23Å; L1138-K1177 HydrophobicContact CD2-CG 3.57Å; L1138-K1177 HydrophobicContact CG-CD 4.24Å; L1138-K1177 HydrophobicContact CG-CG 3.69Å; L1138-M1180 HydrophobicContact CD1-CG 4.48Å; L1138-M1180 HydrophobicContact CD1-SD 4.42Å; L1138-L1181 HydrophobicContact CD2-CB 3.7Å; L1138-L1181 HydrophobicContact CD2-CD1 4.29Å; L1138-L1181 HydrophobicContact CD2-CD2 3.8Å; L1138-L1181 HydrophobicContact CD2-CG 4.13Å; L1138-L1204 HydrophobicContact CD2-CD2 4.09Å
1139S91.3Very high86.3Confident0 Ų025.1 Ų25.10%012%0.12CC..EExtended strand (participates in β ladder)trans-103.3151.4178.2-176.10000112.2D1101 R1141 F1164D1101-S1139 WeakPolarHBondContact OD2-CA 3.11Å; D1101-S1139 WeakPolarHBondContact OD2-CB 3.46Å; D1101-S1139 PolarHBondContact OD2-OG 2.78Å; S1139-R1141 VanDerWaalsContact C-N 3.27Å; S1139-R1141 VanDerWaalsContact OG-CB 3.24Å; S1139-R1141 WeakPolarHBondContact OG-CB 3.49Å; S1139-R1141 WeakPolarHBondContact OG-CG 3.33Å; S1139-R1141 PolarHBondContact OG-N 2.79Å; S1139-F1164 PolarHBondContact N-O 3.32Å
1140A88.6Confident86Confident23 Ų2324.6 Ų24.619%0.1912%0.12CC..EExtended strand (participates in β ladder)trans-86.81.5166.800000112.3D1101 L1166 P1173 K1177D1101-A1140 PolarHBondContact OD2-N 3.18Å; A1140-L1166 VanDerWaalsContact O-CD1 3.32Å; A1140-L1166 WeakPolarHBondContact O-CD1 3.29Å; A1140-P1173 HydrophobicContact CB-CB 4.36Å; A1140-K1177 HydrophobicContact CB-CD 4.06Å
1141R85.3Confident85.9Confident42 Ų4227 Ų2716%0.15813%0.127CC..EExtended strand (participates in β ladder)trans-79.7154.3179.9-67.8170.8-177.5-75.4-21.8111.3D1101 L1110 S1139 Q1145 F1165 L1166D1101-R1141 WeakPolarHBondContact OD1-CD 3.5Å; D1101-R1141 IonicContact OD1-CZ 3.53Å; D1101-R1141 IonicContact OD1-NE 3.52Å; D1101-R1141 PolarHBondContact OD1-NE 2.71Å; D1101-R1141 IonicContact OD1-NH2 3.87Å; D1101-R1141 PolarHBondContact OD1-NH2 2.82Å; D1101-R1141 VanDerWaalsContact OD1-NH2 3.15Å; L1110-R1141 VanDerWaalsContact CD1-NH2 3.31Å; S1139-R1141 VanDerWaalsContact C-N 3.27Å; S1139-R1141 VanDerWaalsContact OG-CB 3.24Å; S1139-R1141 WeakPolarHBondContact OG-CB 3.49Å; S1139-R1141 WeakPolarHBondContact OG-CG 3.33Å; S1139-R1141 PolarHBondContact OG-N 2.79Å; R1141-Q1145 HydrophobicContact CB-CB 4.28Å; R1141-Q1145 VanDerWaalsContact CD-OE1 3.25Å; R1141-F1165 HydrophobicContact CB-CD1 4.21Å; R1141-L1166 PolarHBondContact O-N 2.74Å
1142P82.8Confident85.5Confident14 Ų1426.4 Ų26.49%0.09112%0.123CC..EExtended strand (participates in β ladder)trans-64148.4167.232.9-39.6000110.8M1144 Q1145 L1166 L1169P1142-M1144 HydrophobicContact CB-CB 4.46Å; P1142-M1144 HydrophobicContact CB-CG 4.09Å; P1142-M1144 HydrophobicContact CG-CB 4.49Å; P1142-M1144 PolarHBondContact O-N 2.98Å; P1142-M1144 VanDerWaalsContact O-N 3.09Å; P1142-Q1145 HydrophobicContact CG-CG 4.13Å; P1142-Q1145 WeakPolarHBondContact O-CB 3.14Å; P1142-Q1145 PolarHBondContact O-N 3.22Å; P1142-L1166 CarbonylContact C-O 3.4Å; P1142-L1166 WeakPolarHBondContact CA-O 3.14Å; P1142-L1169 HydrophobicContact CB-CD2 3.94Å; P1142-L1169 HydrophobicContact CG-CD2 3.68Å
1143D85.1Confident85.5Confident8 Ų826.7 Ų26.74%0.04312%0.123CC..G310 helixtrans-45.4-32.3170.458.6-5.1000114.2R995 Q1145 R1146 F1165 L1166 G1168R995-D1143 WeakPolarHBondContact CD-O 3.32Å; R995-D1143 IonicContact CZ-OD1 2.95Å; R995-D1143 IonicContact CZ-OD2 3.89Å; R995-D1143 IonicContact NE-OD1 3.31Å; R995-D1143 PolarHBondContact NE-OD1 3.12Å; R995-D1143 IonicContact NE-OD2 3Å; R995-D1143 PolarHBondContact NE-OD2 3.45Å; R995-D1143 IonicContact NH2-OD1 3.6Å; R995-D1143 PolarHBondContact NH2-OD1 3.35Å; R995-D1143 IonicContact NH2-OD2 3.08Å; R995-D1143 PolarHBondContact NH2-OD2 3.23Å; D1143-Q1145 PolarHBondContact O-N 3.05Å; D1143-Q1145 VanDerWaalsContact O-N 3.11Å; D1143-R1146 WeakPolarHBondContact O-CB 3.29Å; D1143-R1146 PolarHBondContact O-N 2.92Å; D1143-F1165 HydrophobicContact CB-CB 4.29Å; D1143-L1166 VanDerWaalsContact CB-O 3.3Å; D1143-L1166 WeakPolarHBondContact CB-O 3.19Å; D1143-L1166 PolarHBondContact N-O 2.96Å; D1143-G1168 PolarHBondContact OD1-N 2.8Å
1144M79.6Confident84.7Confident23 Ų2327.7 Ų27.711%0.11313%0.131CC..G310 helixtrans-53.7-27.1172.3-40.4-177105.500113.2L1018 D1019 P1142L1018-M1144 VanDerWaalsContact CA-CE 3.43Å; L1018-M1144 HydrophobicContact CD2-CE 4.49Å; L1018-M1144 HydrophobicContact CD2-SD 3.97Å; D1019-M1144 HydrophobicContact CB-CE 3.83Å; D1019-M1144 WeakPolarHBondContact OD1-CE 3.45Å; D1019-M1144 WeakPolarHBondContact OD2-CE 3.17Å; P1142-M1144 HydrophobicContact CB-CB 4.46Å; P1142-M1144 HydrophobicContact CB-CG 4.09Å; P1142-M1144 HydrophobicContact CG-CB 4.49Å; P1142-M1144 PolarHBondContact O-N 2.98Å; P1142-M1144 VanDerWaalsContact O-N 3.09Å
1145Q77.7Confident83.9Confident60 Ų6031.1 Ų31.128%0.2815%0.149SC..G310 helixtrans-95.2-3.2177.7-62.6-179.415.700112.9R1141 P1142 D1143 R1147 R1148 V1149R1141-Q1145 HydrophobicContact CB-CB 4.28Å; R1141-Q1145 VanDerWaalsContact CD-OE1 3.25Å; P1142-Q1145 HydrophobicContact CG-CG 4.13Å; P1142-Q1145 WeakPolarHBondContact O-CB 3.14Å; P1142-Q1145 PolarHBondContact O-N 3.22Å; D1143-Q1145 PolarHBondContact O-N 3.05Å; D1143-Q1145 VanDerWaalsContact O-N 3.11Å; Q1145-R1147 PolarHBondContact O-N 2.92Å; Q1145-R1148 PolarHBondContact O-N 2.85Å; Q1145-R1148 VanDerWaalsContact O-N 3.08Å; Q1145-V1149 WeakPolarHBondContact O-CG2 3.39Å; Q1145-V1149 PolarHBondContact O-N 2.91Å
1146R84Confident83.1Confident30 Ų3033.1 Ų33.111%0.11316%0.158CC..Hα-helixtrans-47.4-60.1-179.9-178.4-179.382.7126.12.4110.9A996 I1083 D1143 R1148 V1149 T1150 F1165A996-R1146 WeakPolarHBondContact O-CD 3.01Å; A996-R1146 PolarHBondContact O-NE 2.79Å; A996-R1146 VanDerWaalsContact O-NE 3.09Å; A996-R1146 PolarHBondContact O-NH1 2.97Å; A996-R1146 VanDerWaalsContact O-NH1 3.16Å; I1083-R1146 PolarHBondContact O-NH1 2.8Å; I1083-R1146 PolarHBondContact O-NH2 2.85Å; D1143-R1146 WeakPolarHBondContact O-CB 3.29Å; D1143-R1146 PolarHBondContact O-N 2.92Å; R1146-R1148 VanDerWaalsContact C-N 3.25Å; R1146-R1148 PolarHBondContact O-N 2.93Å; R1146-R1148 VanDerWaalsContact O-N 3.16Å; R1146-V1149 PolarHBondContact O-N 2.73Å; R1146-T1150 HydrophobicContact CG-CG2 3.91Å; R1146-T1150 WeakPolarHBondContact O-CG2 3.3Å; R1146-T1150 PolarHBondContact O-N 2.59Å; R1146-T1150 PolarHBondContact O-OG1 2.66Å; R1146-F1165 HydrophobicContact CB-CD1 4.5Å; R1146-F1165 HydrophobicContact CB-CD2 3.89Å; R1146-F1165 HydrophobicContact CB-CE2 4.06Å; R1146-F1165 HydrophobicContact CB-CG 4.14Å; R1146-F1165 HydrophobicContact CB-CZ 4.45Å; R1146-F1165 HydrophobicContact CG-CD2 3.73Å; R1146-F1165 HydrophobicContact CG-CE2 3.68Å; R1146-F1165 HydrophobicContact CG-CG 4.47Å; R1146-F1165 HydrophobicContact CG-CZ 4.39Å
1147R76.6Confident82.4Confident84 Ų8434.1 Ų34.132%0.31716%0.164SC..Hα-helixtrans-55.5-36.7-177.3-169.4-174-83.6147.3-10.9112.6A992 Q1145 T1150 N1151A992-R1147 PolarHBondContact O-NH1 3.25Å; Q1145-R1147 PolarHBondContact O-N 2.92Å; R1147-T1150 WeakPolarHBondContact CA-OG1 3.36Å; R1147-T1150 PolarHBondContact O-OG1 3.39Å; R1147-N1151 WeakPolarHBondContact O-CB 3.35Å; R1147-N1151 PolarHBondContact O-N 3.11Å; R1147-N1151 VanDerWaalsContact O-N 3.13Å; R1147-N1151 PolarHBondContact O-OD1 3.16Å
1148R75.2Confident81.9Confident128 Ų12834.1 Ų34.148%0.48316%0.164SC..Hα-helixtrans-71.1-41.8176.9-173.5175.1-178.1164.7-0.8112M1111 G1112 Q1145 R1146 W1152M1111-R1148 PolarHBondContact O-NH2 3.25Å; G1112-R1148 PolarHBondContact O-NH2 3.25Å; Q1145-R1148 PolarHBondContact O-N 2.85Å; Q1145-R1148 VanDerWaalsContact O-N 3.08Å; R1146-R1148 VanDerWaalsContact C-N 3.25Å; R1146-R1148 PolarHBondContact O-N 2.93Å; R1146-R1148 VanDerWaalsContact O-N 3.16Å; R1148-W1152 WeakPolarHBondContact O-CB 3.46Å; R1148-W1152 PolarHBondContact O-N 3.38Å
1149V80.5Confident81.5Confident3 Ų334.6 Ų34.62%0.01817%0.167CC..Hα-helixtrans-77.1-39.5-177.5177.60000111.7V1100 Q1145 R1146 W1152 M1153 F1165V1100-V1149 HydrophobicContact CG1-CG1 3.8Å; Q1145-V1149 WeakPolarHBondContact O-CG2 3.39Å; Q1145-V1149 PolarHBondContact O-N 2.91Å; R1146-V1149 PolarHBondContact O-N 2.73Å; V1149-W1152 PolarHBondContact O-N 2.91Å; V1149-M1153 HydrophobicContact CG1-SD 4.37Å; V1149-M1153 WeakPolarHBondContact O-CB 3.25Å; V1149-M1153 WeakPolarHBondContact O-CG 3.4Å; V1149-M1153 PolarHBondContact O-N 3.17Å; V1149-F1165 HydrophobicContact CB-CE1 3.72Å; V1149-F1165 HydrophobicContact CB-CZ 3.7Å; V1149-F1165 HydrophobicContact CG1-CE1 3.89Å; V1149-F1165 HydrophobicContact CG1-CZ 3.7Å; V1149-F1165 HydrophobicContact CG2-CE1 4.02Å; V1149-F1165 HydrophobicContact CG2-CZ 4.5Å
1150T82Confident81.2Confident36 Ų3636.5 Ų36.522%0.22118%0.176CC..Hα-helixtrans-64.1-41.1172.956.10000111.1R1146 R1147 M1153 A1154 T1163 F1165R1146-T1150 HydrophobicContact CG-CG2 3.91Å; R1146-T1150 WeakPolarHBondContact O-CG2 3.3Å; R1146-T1150 PolarHBondContact O-N 2.59Å; R1146-T1150 PolarHBondContact O-OG1 2.66Å; R1147-T1150 WeakPolarHBondContact CA-OG1 3.36Å; R1147-T1150 PolarHBondContact O-OG1 3.39Å; T1150-M1153 PolarHBondContact O-N 3.02Å; T1150-A1154 WeakPolarHBondContact O-CB 3.48Å; T1150-A1154 PolarHBondContact O-N 3.45Å; T1150-T1163 HydrophobicContact CG2-CG2 4.38Å; T1150-F1165 HydrophobicContact CG2-CE2 4.34Å
1151N78.9Confident81.2Confident76 Ų7635.7 Ų35.741%0.40617%0.17SC..Hα-helixtrans-65.9-38.8174.2-70.619.6000111.4R1147 A1154 N1155R1147-N1151 WeakPolarHBondContact O-CB 3.35Å; R1147-N1151 PolarHBondContact O-N 3.11Å; R1147-N1151 VanDerWaalsContact O-N 3.13Å; R1147-N1151 PolarHBondContact O-OD1 3.16Å; N1151-A1154 PolarHBondContact O-N 3.44Å; N1151-N1155 WeakPolarHBondContact O-CB 3.46Å; N1151-N1155 PolarHBondContact O-N 2.87Å; N1151-N1155 PolarHBondContact O-ND2 3.49Å; N1151-N1155 PolarHBondContact O-OD1 3.23Å
1152W80.8Confident81.6Confident14 Ų1433.7 Ų33.75%0.05316%0.162CC..Hα-helixtrans-64-38.1173.3173.578000112.8V1100 F1104 A1105 L1110 P1115 V1117 R1148 V1149 N1155 H1156 F1158V1100-W1152 HydrophobicContact CG1-CZ3 4.2Å; F1104-W1152 HydrophobicContact CB-CH2 3.87Å; F1104-W1152 HydrophobicContact CB-CZ3 4.33Å; A1105-W1152 HydrophobicContact CB-CH2 4.42Å; L1110-W1152 HydrophobicContact CD2-CD2 3.86Å; L1110-W1152 HydrophobicContact CD2-CE3 3.72Å; L1110-W1152 HydrophobicContact CD2-CG 4.45Å; L1110-W1152 HydrophobicContact CD2-CH2 4.23Å; L1110-W1152 HydrophobicContact CD2-CZ2 4.35Å; L1110-W1152 HydrophobicContact CD2-CZ3 3.93Å; P1115-W1152 HydrophobicContact CG-CD2 4.36Å; P1115-W1152 HydrophobicContact CG-CG 4.35Å; P1115-W1152 HydrophobicContact CG-CZ2 4.27Å; P1115-W1152 VanDerWaalsContact O-CE2 3.26Å; P1115-W1152 WeakPolarHBondContact O-CZ2 3.48Å; P1115-W1152 PolarHBondContact O-NE1 3.22Å; V1117-W1152 HydrophobicContact CG2-CH2 3.7Å; V1117-W1152 HydrophobicContact CG2-CZ2 3.29Å; R1148-W1152 WeakPolarHBondContact O-CB 3.46Å; R1148-W1152 PolarHBondContact O-N 3.38Å; V1149-W1152 PolarHBondContact O-N 2.91Å; W1152-N1155 PolarHBondContact O-N 3.33Å; W1152-H1156 AromaticContact CD1-CE1 3.57Å; W1152-H1156 AromaticContact CD1-ND1 3.54Å; W1152-H1156 AromaticContact CE2-CE1 3.94Å; W1152-H1156 AromaticContact CE2-ND1 3.76Å; W1152-H1156 AromaticContact NE1-CE1 3.14Å; W1152-H1156 PolarHBondContact NE1-CE1 3.39Å; W1152-H1156 AromaticContact NE1-ND1 3.3Å; W1152-H1156 PolarHBondContact NE1-ND1 3.43Å; W1152-H1156 PolarHBondContact O-N 2.62Å; W1152-H1156 PolarHBondContact O-ND1 2.57Å; W1152-F1158 HydrophobicContact CZ3-CE2 4.48Å
1153M84.3Confident82.1Confident12 Ų1233.8 Ų33.86%0.05916%0.162CC..Hα-helixtrans-68.9-42.8175.6-73.5-178.862.300112.5V1100 Y1137 V1149 T1150 N1155 H1156 N1157 F1158V1100-M1153 HydrophobicContact CG1-SD 4.19Å; V1100-M1153 HydrophobicContact CG2-SD 4.21Å; Y1137-M1153 HydrophobicContact CD1-CE 3.67Å; Y1137-M1153 HydrophobicContact CD2-CE 3.62Å; Y1137-M1153 HydrophobicContact CE1-CE 3.86Å; Y1137-M1153 HydrophobicContact CE2-CE 3.78Å; Y1137-M1153 HydrophobicContact CG-CE 3.56Å; V1149-M1153 HydrophobicContact CG1-SD 4.37Å; V1149-M1153 WeakPolarHBondContact O-CB 3.25Å; V1149-M1153 WeakPolarHBondContact O-CG 3.4Å; V1149-M1153 PolarHBondContact O-N 3.17Å; T1150-M1153 PolarHBondContact O-N 3.02Å; M1153-N1155 PolarHBondContact O-N 3.4Å; M1153-H1156 CarbonylContact O-C 3.37Å; M1153-H1156 PolarHBondContact O-N 2.77Å; M1153-H1156 VanDerWaalsContact O-N 3.14Å; M1153-N1157 PolarHBondContact O-N 3.37Å; M1153-N1157 VanDerWaalsContact O-N 3.08Å; M1153-F1158 HydrophobicContact CB-CB 4.24Å; M1153-F1158 HydrophobicContact CB-CD2 3.98Å; M1153-F1158 HydrophobicContact CB-CG 4.37Å; M1153-F1158 HydrophobicContact CE-CB 3.93Å; M1153-F1158 HydrophobicContact CE-CD1 4.37Å; M1153-F1158 HydrophobicContact CE-CD2 4.47Å; M1153-F1158 HydrophobicContact CE-CG 4Å; M1153-F1158 HydrophobicContact CG-CD2 4.07Å; M1153-F1158 HydrophobicContact CG-CG 4.49Å; M1153-F1158 WeakPolarHBondContact O-CD2 3.47Å; M1153-F1158 PolarHBondContact O-N 2.86Å; M1153-F1158 VanDerWaalsContact O-N 3.08Å
1154A75.7Confident82.6Confident20 Ų2033.9 Ų33.917%0.16516%0.162CC..Hα-helixtrans-63.2-33.8170.400000111.3R765 T1150 N1151 H1156 N1157R765-A1154 PolarHBondContact NH1-O 2.88Å; T1150-A1154 WeakPolarHBondContact O-CB 3.48Å; T1150-A1154 PolarHBondContact O-N 3.45Å; N1151-A1154 PolarHBondContact O-N 3.44Å; A1154-H1156 PolarHBondContact O-N 3.24Å; A1154-N1157 PolarHBondContact O-N 2.94Å; A1154-N1157 PolarHBondContact O-OD1 3.41Å
1155N75.4Confident83.2Confident75 Ų7532.9 Ų32.940%0.40116%0.157SC..Hα-helixtrans-68.5-21.6174.4-74.8-11.7000114R765 N1151 W1152 M1153R765-N1155 WeakPolarHBondContact CD-O 3.32Å; R765-N1155 WeakPolarHBondContact CG-O 3.35Å; R765-N1155 PolarHBondContact NE-O 2.88Å; R765-N1155 PolarHBondContact NH2-OD1 2.97Å; N1151-N1155 WeakPolarHBondContact O-CB 3.46Å; N1151-N1155 PolarHBondContact O-N 2.87Å; N1151-N1155 PolarHBondContact O-ND2 3.49Å; N1151-N1155 PolarHBondContact O-OD1 3.23Å; W1152-N1155 PolarHBondContact O-N 3.33Å; M1153-N1155 PolarHBondContact O-N 3.4Å
1156H76.5Confident83.8Confident43 Ų4330.2 Ų30.220%0.19915%0.145CC..THydrogen-bonded Turntrans-106.213.5174.3-72.884.6000113.2D1114 V1117 W1152 M1153 A1154 F1158D1114-H1156 IonicContact OD1-CE1 2.82Å; D1114-H1156 PolarHBondContact OD1-CE1 2.77Å; V1117-H1156 HydrophobicContact CG2-CB 3.87Å; V1117-H1156 WeakPolarHBondContact CG2-CD2 3.32Å; V1117-H1156 VanDerWaalsContact CG2-CG 3.43Å; W1152-H1156 AromaticContact CD1-CE1 3.57Å; W1152-H1156 AromaticContact CD1-ND1 3.54Å; W1152-H1156 AromaticContact CE2-CE1 3.94Å; W1152-H1156 AromaticContact CE2-ND1 3.76Å; W1152-H1156 AromaticContact NE1-CE1 3.14Å; W1152-H1156 PolarHBondContact NE1-CE1 3.39Å; W1152-H1156 AromaticContact NE1-ND1 3.3Å; W1152-H1156 PolarHBondContact NE1-ND1 3.43Å; W1152-H1156 PolarHBondContact O-N 2.62Å; W1152-H1156 PolarHBondContact O-ND1 2.57Å; M1153-H1156 CarbonylContact O-C 3.37Å; M1153-H1156 PolarHBondContact O-N 2.77Å; M1153-H1156 VanDerWaalsContact O-N 3.14Å; A1154-H1156 PolarHBondContact O-N 3.24Å; H1156-F1158 VanDerWaalsContact C-N 3.27Å; H1156-F1158 HydrophobicContact CB-CD2 3.87Å; H1156-F1158 HydrophobicContact CB-CE2 3.75Å; H1156-F1158 PolarHBondContact O-N 3.26Å
1157N80Confident83.8Confident22 Ų2231.4 Ų31.412%0.11815%0.154CC..THydrogen-bonded Turntrans53.839175.7-46.1-35.6000113.7R765 Y766 V1122 R1126 M1153 A1154R765-N1157 VanDerWaalsContact CB-ND2 3.26Å; R765-N1157 WeakPolarHBondContact CB-ND2 3.28Å; R765-N1157 WeakPolarHBondContact CD-OD1 3.46Å; R765-N1157 PolarHBondContact NH1-OD1 3.25Å; Y766-N1157 WeakPolarHBondContact CD2-ND2 3.43Å; Y766-N1157 HydrophobicContact CE1-CB 4.49Å; Y766-N1157 WeakPolarHBondContact CE1-ND2 3.48Å; Y766-N1157 VanDerWaalsContact CE2-CG 3.47Å; Y766-N1157 WeakPolarHBondContact CE2-ND2 3.19Å; Y766-N1157 VanDerWaalsContact OH-CG 3.32Å; Y766-N1157 PolarHBondContact OH-ND2 3.14Å; V1122-N1157 WeakPolarHBondContact CG1-O 3.44Å; R1126-N1157 PolarHBondContact NH2-O 2.93Å; M1153-N1157 PolarHBondContact O-N 3.37Å; M1153-N1157 VanDerWaalsContact O-N 3.08Å; A1154-N1157 PolarHBondContact O-N 2.94Å; A1154-N1157 PolarHBondContact O-OD1 3.41Å
1158F86.1Confident83.7Confident4 Ų427.9 Ų27.92%0.01814%0.143CC..PPolyproline II helixtrans-60.3139.7171.2-81.5-87.4000110.5F1104 V1117 V1122 Y1137 W1152 M1153 H1156 F1266F1104-F1158 HydrophobicContact CB-CZ 3.89Å; F1104-F1158 AromaticContact CD1-CE1 3.69Å; F1104-F1158 HydrophobicContact CD1-CE1 3.69Å; F1104-F1158 AromaticContact CD1-CZ 3.86Å; F1104-F1158 HydrophobicContact CD1-CZ 3.86Å; F1104-F1158 HydrophobicContact CD2-CD1 4.33Å; F1104-F1158 AromaticContact CD2-CE1 3.56Å; F1104-F1158 HydrophobicContact CD2-CE1 3.56Å; F1104-F1158 HydrophobicContact CD2-CE2 4.48Å; F1104-F1158 AromaticContact CD2-CZ 3.64Å; F1104-F1158 HydrophobicContact CD2-CZ 3.64Å; F1104-F1158 AromaticContact CE1-CE1 3.59Å; F1104-F1158 HydrophobicContact CE1-CE1 3.59Å; F1104-F1158 HydrophobicContact CE1-CZ 4.25Å; F1104-F1158 AromaticContact CE2-CD1 3.92Å; F1104-F1158 HydrophobicContact CE2-CD1 3.92Å; F1104-F1158 AromaticContact CE2-CE1 3.45Å; F1104-F1158 HydrophobicContact CE2-CE1 3.45Å; F1104-F1158 VanDerWaalsContact CE2-CE1 3.45Å; F1104-F1158 HydrophobicContact CE2-CZ 4.04Å; F1104-F1158 AromaticContact CG-CE1 3.68Å; F1104-F1158 HydrophobicContact CG-CE1 3.68Å; F1104-F1158 AromaticContact CG-CZ 3.54Å; F1104-F1158 HydrophobicContact CG-CZ 3.54Å; F1104-F1158 HydrophobicContact CZ-CD1 4.02Å; F1104-F1158 AromaticContact CZ-CE1 3.45Å; F1104-F1158 HydrophobicContact CZ-CE1 3.45Å; F1104-F1158 VanDerWaalsContact CZ-CE1 3.45Å; F1104-F1158 HydrophobicContact CZ-CZ 4.32Å; V1117-F1158 HydrophobicContact CG1-CE2 4.41Å; V1117-F1158 HydrophobicContact CG1-CZ 4.02Å; V1117-F1158 HydrophobicContact CG2-CE2 3.95Å; V1117-F1158 HydrophobicContact CG2-CZ 4.27Å; V1122-F1158 HydrophobicContact CB-CE1 4.45Å; V1122-F1158 HydrophobicContact CG1-CD1 4.25Å; V1122-F1158 HydrophobicContact CG1-CG 4.33Å; V1122-F1158 HydrophobicContact CG2-CE1 4.11Å; V1122-F1158 HydrophobicContact CG2-CE2 4.11Å; V1122-F1158 HydrophobicContact CG2-CZ 3.87Å; Y1137-F1158 HydrophobicContact CE1-CD1 4.49Å; W1152-F1158 HydrophobicContact CZ3-CE2 4.48Å; M1153-F1158 HydrophobicContact CB-CB 4.24Å; M1153-F1158 HydrophobicContact CB-CD2 3.98Å; M1153-F1158 HydrophobicContact CB-CG 4.37Å; M1153-F1158 HydrophobicContact CE-CB 3.93Å; M1153-F1158 HydrophobicContact CE-CD1 4.37Å; M1153-F1158 HydrophobicContact CE-CD2 4.47Å; M1153-F1158 HydrophobicContact CE-CG 4Å; M1153-F1158 HydrophobicContact CG-CD2 4.07Å; M1153-F1158 HydrophobicContact CG-CG 4.49Å; M1153-F1158 WeakPolarHBondContact O-CD2 3.47Å; M1153-F1158 PolarHBondContact O-N 2.86Å; M1153-F1158 VanDerWaalsContact O-N 3.08Å; H1156-F1158 VanDerWaalsContact C-N 3.27Å; H1156-F1158 HydrophobicContact CB-CD2 3.87Å; H1156-F1158 HydrophobicContact CB-CE2 3.75Å; H1156-F1158 PolarHBondContact O-N 3.26Å; F1158-F1266 WeakPolarHBondContact O-CE2 3.36Å
1159P85.5Confident83.5Confident10 Ų1025 Ų257%0.06514%0.137CC..PPolyproline II helixtrans-64.8165.2175.926.6-33.1000111.8A1125 R1126 Q1129 L1135 Y1137A1125-P1159 HydrophobicContact CB-CG 3.64Å; R1126-P1159 HydrophobicContact CG-CB 4.21Å; R1126-P1159 HydrophobicContact CG-CG 4Å; Q1129-P1159 HydrophobicContact CB-CB 4.31Å; Q1129-P1159 HydrophobicContact CG-CB 4.42Å; L1135-P1159 HydrophobicContact CD1-CB 4.24Å; L1135-P1159 HydrophobicContact CD1-CG 3.68Å; Y1137-P1159 WeakPolarHBondContact CE2-O 3.32Å; Y1137-P1159 WeakPolarHBondContact OH-CG 3.49Å; Y1137-P1159 PolarHBondContact OH-O 3.08Å
1160F84.5Confident83.3Confident40 Ų4029 Ų2918%0.17515%0.152CC..PPolyproline II helixtrans-64.2138.6-178-179.6-90.3000111.8L1067 T1085 M1162 F1266L1067-F1160 HydrophobicContact CD1-CD1 4.1Å; L1067-F1160 HydrophobicContact CD1-CE1 3.7Å; L1067-F1160 HydrophobicContact CD1-CZ 4.49Å; L1067-F1160 HydrophobicContact CD2-CE1 4.49Å; T1085-F1160 HydrophobicContact CG2-CZ 3.96Å; F1160-M1162 HydrophobicContact CE1-SD 4.09Å; F1160-M1162 HydrophobicContact CZ-SD 4.1Å; F1160-F1266 HydrophobicContact CB-CD2 4.41Å; F1160-F1266 HydrophobicContact CB-CE2 4.16Å
1161G89.8Confident83Confident6 Ų633.8 Ų33.86%0.06219%0.187CC..  trans-170.1156.5176.600000112L1135L1135-G1161 CarbonylContact O-C 3.58Å; L1135-G1161 VanDerWaalsContact O-CA 3.24Å; L1135-G1161 WeakPolarHBondContact O-CA 3.37Å
1162M93.7Very high83.2Confident0 Ų033.5 Ų33.50%019%0.186CC..EExtended strand (participates in β ladder)trans-73.8126.4-174.1-54.6-59.3-72.900110.7D998 V999 I1000 L1067 T1085 A1087 L1134 L1135 Y1137 F1160 F1164D998-M1162 HydrophobicContact CB-CE 3.75Å; V999-M1162 WeakPolarHBondContact O-CE 3.45Å; I1000-M1162 HydrophobicContact CD1-CB 4.06Å; I1000-M1162 HydrophobicContact CD1-CG 3.87Å; I1000-M1162 HydrophobicContact CG1-CB 4.32Å; I1000-M1162 HydrophobicContact CG1-CE 3.79Å; I1000-M1162 HydrophobicContact CG1-CG 3.94Å; L1067-M1162 HydrophobicContact CD2-SD 4.4Å; T1085-M1162 HydrophobicContact CG2-CE 4.32Å; T1085-M1162 HydrophobicContact CG2-SD 4.23Å; T1085-M1162 WeakPolarHBondContact O-CE 3.38Å; A1087-M1162 HydrophobicContact CB-CE 3.58Å; A1087-M1162 HydrophobicContact CB-SD 3.98Å; L1134-M1162 HydrophobicContact CD1-CG 3.96Å; L1134-M1162 HydrophobicContact CD2-CG 4.27Å; L1134-M1162 HydrophobicContact CG-CG 4.27Å; L1135-M1162 PolarHBondContact O-N 3.24Å; Y1137-M1162 PolarHBondContact N-O 2.93Å; F1160-M1162 HydrophobicContact CE1-SD 4.09Å; F1160-M1162 HydrophobicContact CZ-SD 4.1Å; M1162-F1164 HydrophobicContact CB-CD2 4.5Å; M1162-F1164 HydrophobicContact CB-CE2 3.66Å; M1162-F1164 HydrophobicContact CB-CZ 4.25Å
1163T93.2Very high83.4Confident16 Ų1635.1 Ų35.110%0.09820%0.198CC..EExtended strand (participates in β ladder)trans-103.9131.6-171.673.10000113.2D998 Y1137 T1150D998-T1163 PolarHBondContact N-O 3.02Å; D998-T1163 WeakPolarHBondContact OD2-CA 3.19Å; D998-T1163 WeakPolarHBondContact OD2-CB 3.46Å; D998-T1163 PolarHBondContact OD2-N 3.01Å; D998-T1163 PolarHBondContact OD2-OG1 2.86Å; Y1137-T1163 HydrophobicContact CD2-CG2 4.45Å; T1150-T1163 HydrophobicContact CG2-CG2 4.38Å
1164F94.8Very high83.4Confident10 Ų1038.1 Ų38.14%0.04421%0.214CC..EExtended strand (participates in β ladder)trans-134.1123.8-174.6-64.4-82000112.3N997 D998 I1000 I1136 Y1137 L1138 S1139 M1162 M1180 V1184N997-F1164 HydrophobicContact CB-CD1 4.45Å; D998-F1164 WeakPolarHBondContact O-CE1 3.48Å; I1000-F1164 HydrophobicContact CD1-CE2 4.08Å; I1000-F1164 HydrophobicContact CD1-CZ 3.93Å; I1000-F1164 HydrophobicContact CG1-CZ 4.07Å; I1136-F1164 HydrophobicContact CG2-CD2 3.86Å; I1136-F1164 HydrophobicContact CG2-CE2 4.01Å; Y1137-F1164 PolarHBondContact O-N 3.17Å; L1138-F1164 HydrophobicContact CD1-CB 3.69Å; S1139-F1164 PolarHBondContact N-O 3.32Å; M1162-F1164 HydrophobicContact CB-CD2 4.5Å; M1162-F1164 HydrophobicContact CB-CE2 3.66Å; M1162-F1164 HydrophobicContact CB-CZ 4.25Å; F1164-M1180 HydrophobicContact CB-SD 4.08Å; F1164-V1184 HydrophobicContact CD1-CG2 4.07Å; F1164-V1184 HydrophobicContact CE1-CG1 4.34Å; F1164-V1184 HydrophobicContact CE1-CG2 3.57Å; F1164-V1184 HydrophobicContact CE2-CG1 4.3Å; F1164-V1184 HydrophobicContact CZ-CG1 3.83Å; F1164-V1184 HydrophobicContact CZ-CG2 3.92Å
1165F92.5Very high84Confident2 Ų243.4 Ų43.41%0.00923%0.233CC..EExtended strand (participates in β ladder)trans-130.1152.3179.7-66-98000110.6N997 R1141 D1143 R1146 V1149 T1150 M1180N997-F1165 PolarHBondContact ND2-O 2.84Å; N997-F1165 PolarHBondContact OD1-N 2.83Å; N997-F1165 PolarHBondContact OD1-O 2.96Å; R1141-F1165 HydrophobicContact CB-CD1 4.21Å; D1143-F1165 HydrophobicContact CB-CB 4.29Å; R1146-F1165 HydrophobicContact CB-CD1 4.5Å; R1146-F1165 HydrophobicContact CB-CD2 3.89Å; R1146-F1165 HydrophobicContact CB-CE2 4.06Å; R1146-F1165 HydrophobicContact CB-CG 4.14Å; R1146-F1165 HydrophobicContact CB-CZ 4.45Å; R1146-F1165 HydrophobicContact CG-CD2 3.73Å; R1146-F1165 HydrophobicContact CG-CE2 3.68Å; R1146-F1165 HydrophobicContact CG-CG 4.47Å; R1146-F1165 HydrophobicContact CG-CZ 4.39Å; V1149-F1165 HydrophobicContact CB-CE1 3.72Å; V1149-F1165 HydrophobicContact CB-CZ 3.7Å; V1149-F1165 HydrophobicContact CG1-CE1 3.89Å; V1149-F1165 HydrophobicContact CG1-CZ 3.7Å; V1149-F1165 HydrophobicContact CG2-CE1 4.02Å; V1149-F1165 HydrophobicContact CG2-CZ 4.5Å; T1150-F1165 HydrophobicContact CG2-CE2 4.34Å; F1165-M1180 VanDerWaalsContact O-CE 3.32Å; F1165-M1180 WeakPolarHBondContact O-CE 3.5Å
1166L90.2Very high84.7Confident3 Ų342.4 Ų42.42%0.01623%0.226CC..EExtended strand (participates in β ladder)trans-68139.2-176.9-53-174.2000111.5A1140 R1141 P1142 D1143 G1168 Y1170 P1173 Q1176 K1177 M1180A1140-L1166 VanDerWaalsContact O-CD1 3.32Å; A1140-L1166 WeakPolarHBondContact O-CD1 3.29Å; R1141-L1166 PolarHBondContact O-N 2.74Å; P1142-L1166 CarbonylContact C-O 3.4Å; P1142-L1166 WeakPolarHBondContact CA-O 3.14Å; D1143-L1166 VanDerWaalsContact CB-O 3.3Å; D1143-L1166 WeakPolarHBondContact CB-O 3.19Å; D1143-L1166 PolarHBondContact N-O 2.96Å; L1166-G1168 PolarHBondContact O-N 3.39Å; L1166-Y1170 HydrophobicContact CB-CD2 3.96Å; L1166-Y1170 HydrophobicContact CB-CE2 3.92Å; L1166-Y1170 HydrophobicContact CD1-CD2 4.25Å; L1166-P1173 HydrophobicContact CD1-CB 3.68Å; L1166-P1173 WeakPolarHBondContact CD1-O 3.45Å; L1166-Q1176 HydrophobicContact CD1-CB 4.22Å; L1166-Q1176 HydrophobicContact CD2-CB 4.12Å; L1166-K1177 HydrophobicContact CD2-CB 4.12Å; L1166-M1180 HydrophobicContact CD2-CE 4.42Å; L1166-M1180 HydrophobicContact CD2-SD 4.39Å
1167N84.5Confident85.5Confident56 Ų5640.5 Ų40.530%0.29922%0.217SC..SBendtrans-74.846.8-174-68-22.8000114.5N997N997-N1167 PolarHBondContact ND2-OD1 3.43Å
1168G73.4Confident86Confident9 Ų940.5 Ų40.59%0.09322%0.22CC..SBendtrans127.9-178.7-172.200000112.2D1143 L1166 Y1170D1143-G1168 PolarHBondContact OD1-N 2.8Å; L1166-G1168 PolarHBondContact O-N 3.39Å; G1168-Y1170 VanDerWaalsContact O-CD2 3.3Å; G1168-Y1170 WeakPolarHBondContact O-CD2 3.34Å
1169L70.8Confident86.3Confident67 Ų6745.3 Ų45.335%0.35124%0.243SC..  trans-73.6143.9165.4-50.8172.8000110.2W230 P1142W230-L1169 HydrophobicContact CE3-CD1 3.95Å; W230-L1169 HydrophobicContact CE3-CG 4.47Å; W230-L1169 HydrophobicContact CH2-CB 3.43Å; W230-L1169 VanDerWaalsContact CH2-CB 3.43Å; W230-L1169 HydrophobicContact CH2-CD1 4.03Å; W230-L1169 HydrophobicContact CH2-CG 3.8Å; W230-L1169 HydrophobicContact CZ2-CB 4Å; W230-L1169 HydrophobicContact CZ3-CB 3.87Å; W230-L1169 HydrophobicContact CZ3-CD1 3.64Å; W230-L1169 HydrophobicContact CZ3-CG 3.67Å; P1142-L1169 HydrophobicContact CB-CD2 3.94Å; P1142-L1169 HydrophobicContact CG-CD2 3.68Å
1170Y75.9Confident86.6Confident88 Ų8846.4 Ų46.435%0.34525%0.247SC..  trans-133.2151.1174.2-67.7-96.1000110L1166 G1168 D1172 Q1176L1166-Y1170 HydrophobicContact CB-CD2 3.96Å; L1166-Y1170 HydrophobicContact CB-CE2 3.92Å; L1166-Y1170 HydrophobicContact CD1-CD2 4.25Å; G1168-Y1170 VanDerWaalsContact O-CD2 3.3Å; G1168-Y1170 WeakPolarHBondContact O-CD2 3.34Å; Y1170-D1172 VanDerWaalsContact C-N 3.28Å; Y1170-D1172 PolarHBondContact O-N 2.96Å; Y1170-Q1176 HydrophobicContact CD1-CB 4.44Å; Y1170-Q1176 HydrophobicContact CD1-CG 3.49Å; Y1170-Q1176 VanDerWaalsContact CD1-CG 3.49Å; Y1170-Q1176 HydrophobicContact CD2-CB 4.33Å; Y1170-Q1176 HydrophobicContact CD2-CG 4.2Å; Y1170-Q1176 HydrophobicContact CE1-CG 3.93Å; Y1170-Q1176 HydrophobicContact CG-CB 4.21Å; Y1170-Q1176 HydrophobicContact CG-CG 3.62Å
1171S76.1Confident87.1Confident136 Ų13644.6 Ų44.695%0.95124%0.239SC*.SBendtrans-67.9-26.8175.548.80000113.4
1172D84Confident87.3Confident71 Ų7148.5 Ų48.538%0.3826%0.255SS..  trans-126.886.7171.5-175.7-11.7000110.1Y1170 L1174 K1175 Q1176Y1170-D1172 VanDerWaalsContact C-N 3.28Å; Y1170-D1172 PolarHBondContact O-N 2.96Å; D1172-L1174 VanDerWaalsContact C-N 3.26Å; D1172-L1174 PolarHBondContact O-N 2.96Å; D1172-L1174 PolarHBondContact OD1-N 2.88Å; D1172-K1175 HydrophobicContact CB-CB 4.15Å; D1172-K1175 WeakPolarHBondContact OD1-CB 3.36Å; D1172-K1175 PolarHBondContact OD1-N 2.94Å; D1172-K1175 WeakPolarHBondContact OD2-CB 3.49Å; D1172-Q1176 VanDerWaalsContact O-CG 3.3Å; D1172-Q1176 WeakPolarHBondContact O-CG 3.46Å; D1172-Q1176 PolarHBondContact O-N 3.05Å
1173P83.5Confident87.2Confident48 Ų4851.4 Ų51.431%0.31227%0.273SS..Hα-helixtrans-63.6-28.2178.6-24.635.7000113.7A1140 L1166 K1177A1140-P1173 HydrophobicContact CB-CB 4.36Å; L1166-P1173 HydrophobicContact CD1-CB 3.68Å; L1166-P1173 WeakPolarHBondContact CD1-O 3.45Å; P1173-K1177 WeakPolarHBondContact O-CB 3.16Å; P1173-K1177 PolarHBondContact O-N 3.08Å
1174L85.1Confident87.2Confident74 Ų7451.7 Ų51.739%0.38727%0.274SS..Hα-helixtrans-76.4-42.1-176.1-68175.5000111.4D1172 Q1176 K1177 A1178 K1200D1172-L1174 VanDerWaalsContact C-N 3.26Å; D1172-L1174 PolarHBondContact O-N 2.96Å; D1172-L1174 PolarHBondContact OD1-N 2.88Å; L1174-Q1176 VanDerWaalsContact C-N 3.32Å; L1174-Q1176 PolarHBondContact O-N 2.79Å; L1174-K1177 PolarHBondContact O-N 2.82Å; L1174-A1178 WeakPolarHBondContact O-CB 3.32Å; L1174-A1178 PolarHBondContact O-N 2.82Å; L1174-K1200 HydrophobicContact CD1-CB 4.24Å; L1174-K1200 HydrophobicContact CD1-CD 4.3Å
1175K89.1Confident87.1Confident132 Ų13252.1 Ų52.157%0.57428%0.278SS*.Hα-helixtrans-62.3-39.1171.7179178.5179.9178.90112.1D1172 A1178 Q1179D1172-K1175 HydrophobicContact CB-CB 4.15Å; D1172-K1175 WeakPolarHBondContact OD1-CB 3.36Å; D1172-K1175 PolarHBondContact OD1-N 2.94Å; D1172-K1175 WeakPolarHBondContact OD2-CB 3.49Å; K1175-A1178 PolarHBondContact O-N 2.97Å; K1175-Q1179 WeakPolarHBondContact O-CB 3.36Å; K1175-Q1179 PolarHBondContact O-N 3.46Å
1176Q90.3Very high87.1Confident53 Ų5357.4 Ų57.425%0.24830%0.302CS..Hα-helixtrans-71.5-40178.9-68.7-71.3-23.100112L1166 Y1170 D1172 L1174 A1178 Q1179 M1180L1166-Q1176 HydrophobicContact CD1-CB 4.22Å; L1166-Q1176 HydrophobicContact CD2-CB 4.12Å; Y1170-Q1176 HydrophobicContact CD1-CB 4.44Å; Y1170-Q1176 HydrophobicContact CD1-CG 3.49Å; Y1170-Q1176 VanDerWaalsContact CD1-CG 3.49Å; Y1170-Q1176 HydrophobicContact CD2-CB 4.33Å; Y1170-Q1176 HydrophobicContact CD2-CG 4.2Å; Y1170-Q1176 HydrophobicContact CE1-CG 3.93Å; Y1170-Q1176 HydrophobicContact CG-CB 4.21Å; Y1170-Q1176 HydrophobicContact CG-CG 3.62Å; D1172-Q1176 VanDerWaalsContact O-CG 3.3Å; D1172-Q1176 WeakPolarHBondContact O-CG 3.46Å; D1172-Q1176 PolarHBondContact O-N 3.05Å; L1174-Q1176 VanDerWaalsContact C-N 3.32Å; L1174-Q1176 PolarHBondContact O-N 2.79Å; Q1176-A1178 VanDerWaalsContact C-N 3.3Å; Q1176-A1178 PolarHBondContact O-N 2.93Å; Q1176-Q1179 PolarHBondContact O-N 2.88Å; Q1176-M1180 VanDerWaalsContact O-CB 3.29Å; Q1176-M1180 WeakPolarHBondContact O-CB 3.43Å; Q1176-M1180 PolarHBondContact O-N 3.02Å
1177K91.4Very high87.1Confident3 Ų362.5 Ų62.51%0.01333%0.33CS..Hα-helixtrans-57.9-42.3168.8-179.6-178.6178.4-170.50111.9S1099 L1138 A1140 L1166 P1173 L1174 M1180 L1181 D1201 L1204S1099-K1177 PolarHBondContact OG-NZ 2.68Å; L1138-K1177 HydrophobicContact CD1-CG 4.14Å; L1138-K1177 HydrophobicContact CD2-CD 4.23Å; L1138-K1177 HydrophobicContact CD2-CG 3.57Å; L1138-K1177 HydrophobicContact CG-CD 4.24Å; L1138-K1177 HydrophobicContact CG-CG 3.69Å; A1140-K1177 HydrophobicContact CB-CD 4.06Å; L1166-K1177 HydrophobicContact CD2-CB 4.12Å; P1173-K1177 WeakPolarHBondContact O-CB 3.16Å; P1173-K1177 PolarHBondContact O-N 3.08Å; L1174-K1177 PolarHBondContact O-N 2.82Å; K1177-M1180 PolarHBondContact O-N 2.63Å; K1177-L1181 PolarHBondContact O-N 3.43Å; K1177-L1181 VanDerWaalsContact O-N 3.08Å; K1177-D1201 IonicContact NZ-OD1 3.92Å; K1177-D1201 PolarHBondContact NZ-OD1 2.87Å; K1177-L1204 HydrophobicContact CG-CD2 4.19Å
1178A91.3Very high87.4Confident22 Ų2259.9 Ų59.918%0.18232%0.315CS..Hα-helixtrans-66.4-45.8177.700000112.4L1174 K1175 Q1176 M1180 K1182 L1204L1174-A1178 WeakPolarHBondContact O-CB 3.32Å; L1174-A1178 PolarHBondContact O-N 2.82Å; K1175-A1178 PolarHBondContact O-N 2.97Å; Q1176-A1178 VanDerWaalsContact C-N 3.3Å; Q1176-A1178 PolarHBondContact O-N 2.93Å; A1178-M1180 PolarHBondContact O-N 3.46Å; A1178-K1182 VanDerWaalsContact O-CB 3.26Å; A1178-K1182 WeakPolarHBondContact O-CB 3.26Å; A1178-K1182 PolarHBondContact O-N 3.11Å; A1178-L1204 HydrophobicContact CB-CB 4.21Å; A1178-L1204 HydrophobicContact CB-CD1 3.77Å; A1178-L1204 HydrophobicContact CB-CD2 4.36Å; A1178-L1204 HydrophobicContact CB-CG 4.32Å
1179Q91.8Very high88.2Confident106 Ų10662.9 Ų62.950%0.49533%0.33SS..Hα-helixtrans-61.2-42.8175.2-176.7173.3-1400111.7K1175 Q1176 K1182 T1183K1175-Q1179 WeakPolarHBondContact O-CB 3.36Å; K1175-Q1179 PolarHBondContact O-N 3.46Å; Q1176-Q1179 PolarHBondContact O-N 2.88Å; Q1179-K1182 PolarHBondContact O-N 3.1Å; Q1179-T1183 PolarHBondContact O-N 3.4Å; Q1179-T1183 PolarHBondContact O-OG1 3.17Å
1180M92.6Very high89.2Confident32 Ų3260.2 Ų60.216%0.15832%0.315CS..Hα-helixtrans-60.7-52.4178179168.6-72.900112.4L1138 F1164 F1165 L1166 Q1176 K1177 A1178 K1182 T1183 V1184L1138-M1180 HydrophobicContact CD1-CG 4.48Å; L1138-M1180 HydrophobicContact CD1-SD 4.42Å; F1164-M1180 HydrophobicContact CB-SD 4.08Å; F1165-M1180 VanDerWaalsContact O-CE 3.32Å; F1165-M1180 WeakPolarHBondContact O-CE 3.5Å; L1166-M1180 HydrophobicContact CD2-CE 4.42Å; L1166-M1180 HydrophobicContact CD2-SD 4.39Å; Q1176-M1180 VanDerWaalsContact O-CB 3.29Å; Q1176-M1180 WeakPolarHBondContact O-CB 3.43Å; Q1176-M1180 PolarHBondContact O-N 3.02Å; K1177-M1180 PolarHBondContact O-N 2.63Å; A1178-M1180 PolarHBondContact O-N 3.46Å; M1180-K1182 VanDerWaalsContact C-N 3.28Å; M1180-K1182 PolarHBondContact O-N 3.02Å; M1180-T1183 PolarHBondContact O-N 3.25Å; M1180-V1184 WeakPolarHBondContact O-CG2 3.35Å; M1180-V1184 PolarHBondContact O-N 3.41Å
1181L94.4Very high90Very high2 Ų260.2 Ų60.21%0.0132%0.315CS..Hα-helixtrans-62.3-39.2178.2-176.461.5000111.5V1097 I1136 L1138 K1177 V1184 V1185 L1204 Y1205 L1208V1097-L1181 HydrophobicContact CG1-CD1 4.25Å; V1097-L1181 HydrophobicContact CG1-CD2 3.89Å; V1097-L1181 HydrophobicContact CG2-CD1 4.1Å; V1097-L1181 HydrophobicContact CG2-CD2 4.34Å; I1136-L1181 HydrophobicContact CG2-CD1 4.13Å; L1138-L1181 HydrophobicContact CD2-CB 3.7Å; L1138-L1181 HydrophobicContact CD2-CD1 4.29Å; L1138-L1181 HydrophobicContact CD2-CD2 3.8Å; L1138-L1181 HydrophobicContact CD2-CG 4.13Å; K1177-L1181 PolarHBondContact O-N 3.43Å; K1177-L1181 VanDerWaalsContact O-N 3.08Å; L1181-V1184 PolarHBondContact O-N 2.96Å; L1181-V1185 HydrophobicContact CD1-CG2 4.14Å; L1181-V1185 HydrophobicContact CG-CG2 4.32Å; L1181-V1185 WeakPolarHBondContact O-CB 3.24Å; L1181-V1185 VanDerWaalsContact O-CG2 3.29Å; L1181-V1185 WeakPolarHBondContact O-CG2 3.36Å; L1181-V1185 PolarHBondContact O-N 3.35Å; L1181-L1204 HydrophobicContact CB-CD1 4.29Å; L1181-L1204 HydrophobicContact CD2-CD1 3.93Å; L1181-L1204 HydrophobicContact CD2-CD2 4.15Å; L1181-L1204 HydrophobicContact CD2-CG 4.18Å; L1181-Y1205 HydrophobicContact CD2-CE1 4.31Å; L1181-L1208 HydrophobicContact CD2-CD1 3.41Å; L1181-L1208 VanDerWaalsContact CD2-CD1 3.41Å; L1181-L1208 HydrophobicContact CG-CD1 3.73Å
1182K94Very high90.9Very high89 Ų8954.8 Ų54.839%0.38728%0.276SS..Hα-helixtrans-59.6-49.8175.9-179.4172.1175.9174.40111.6A1178 Q1179 M1180 V1184 V1185 E1186 L1208A1178-K1182 VanDerWaalsContact O-CB 3.26Å; A1178-K1182 WeakPolarHBondContact O-CB 3.26Å; A1178-K1182 PolarHBondContact O-N 3.11Å; Q1179-K1182 PolarHBondContact O-N 3.1Å; M1180-K1182 VanDerWaalsContact C-N 3.28Å; M1180-K1182 PolarHBondContact O-N 3.02Å; K1182-V1184 VanDerWaalsContact C-N 3.34Å; K1182-V1184 PolarHBondContact O-N 2.84Å; K1182-V1185 PolarHBondContact O-N 2.98Å; K1182-E1186 WeakPolarHBondContact CE-OE1 3.4Å; K1182-E1186 WeakPolarHBondContact CE-OE2 3.48Å; K1182-E1186 HydrophobicContact CG-CG 4.3Å; K1182-E1186 WeakPolarHBondContact CG-OE2 3.37Å; K1182-E1186 IonicContact NZ-OE1 3.32Å; K1182-E1186 PolarHBondContact NZ-OE1 3.28Å; K1182-E1186 WeakPolarHBondContact O-CB 3.3Å; K1182-E1186 WeakPolarHBondContact O-CG 3.48Å; K1182-E1186 PolarHBondContact O-N 3.17Å; K1182-L1208 HydrophobicContact CB-CD2 4.11Å; K1182-L1208 HydrophobicContact CG-CD2 4.3Å
1183T92Very high91.4Very high61 Ų6152 Ų5237%0.37426%0.261SS..Hα-helixtrans-61.3-39.1176.7-62.10000112.7Q1179 M1180 N1187Q1179-T1183 PolarHBondContact O-N 3.4Å; Q1179-T1183 PolarHBondContact O-OG1 3.17Å; M1180-T1183 PolarHBondContact O-N 3.25Å; T1183-N1187 WeakPolarHBondContact CG2-ND2 3.15Å; T1183-N1187 WeakPolarHBondContact O-CB 3.27Å; T1183-N1187 PolarHBondContact O-N 3.48Å; T1183-N1187 PolarHBondContact O-OD1 3.46Å
1184V92.8Very high92Very high21 Ų2149.8 Ų49.813%0.12725%0.246CC..Hα-helixtrans-64.7-44.4175.8171.40000111.4I1000 F1164 M1180 L1181 K1182 A1188 L1190I1000-V1184 HydrophobicContact CD1-CG1 3.88Å; F1164-V1184 HydrophobicContact CD1-CG2 4.07Å; F1164-V1184 HydrophobicContact CE1-CG1 4.34Å; F1164-V1184 HydrophobicContact CE1-CG2 3.57Å; F1164-V1184 HydrophobicContact CE2-CG1 4.3Å; F1164-V1184 HydrophobicContact CZ-CG1 3.83Å; F1164-V1184 HydrophobicContact CZ-CG2 3.92Å; M1180-V1184 WeakPolarHBondContact O-CG2 3.35Å; M1180-V1184 PolarHBondContact O-N 3.41Å; L1181-V1184 PolarHBondContact O-N 2.96Å; K1182-V1184 VanDerWaalsContact C-N 3.34Å; K1182-V1184 PolarHBondContact O-N 2.84Å; V1184-A1188 WeakPolarHBondContact O-CB 3.29Å; V1184-A1188 PolarHBondContact O-N 2.82Å; V1184-L1190 HydrophobicContact CG1-CD1 4.07Å
1185V93.8Very high92.5Very high20 Ų2046.2 Ų46.212%0.12123%0.228CC..Hα-helixtrans-67.7-41179.3169.30000112.1L1181 K1182 N1189 L1190 V1192L1181-V1185 HydrophobicContact CD1-CG2 4.14Å; L1181-V1185 HydrophobicContact CG-CG2 4.32Å; L1181-V1185 WeakPolarHBondContact O-CB 3.24Å; L1181-V1185 VanDerWaalsContact O-CG2 3.29Å; L1181-V1185 WeakPolarHBondContact O-CG2 3.36Å; L1181-V1185 PolarHBondContact O-N 3.35Å; K1182-V1185 PolarHBondContact O-N 2.98Å; V1185-N1189 WeakPolarHBondContact O-CA 3.31Å; V1185-N1189 PolarHBondContact O-N 3.08Å; V1185-N1189 VanDerWaalsContact O-N 3.09Å; V1185-L1190 HydrophobicContact CG1-CB 4.42Å; V1185-L1190 HydrophobicContact CG2-CB 4.46Å; V1185-L1190 PolarHBondContact O-N 3.3Å; V1185-V1192 HydrophobicContact CG1-CG2 4.27Å; V1185-V1192 HydrophobicContact CG2-CG2 3.69Å
1186E92.3Very high92.9Very high113 Ų11340 Ų4053%0.52820%0.2SC..Hα-helixtrans-71-47.7179-71.8177.9146.600112K1182 A1188 N1189K1182-E1186 WeakPolarHBondContact CE-OE1 3.4Å; K1182-E1186 WeakPolarHBondContact CE-OE2 3.48Å; K1182-E1186 HydrophobicContact CG-CG 4.3Å; K1182-E1186 WeakPolarHBondContact CG-OE2 3.37Å; K1182-E1186 IonicContact NZ-OE1 3.32Å; K1182-E1186 PolarHBondContact NZ-OE1 3.28Å; K1182-E1186 WeakPolarHBondContact O-CB 3.3Å; K1182-E1186 WeakPolarHBondContact O-CG 3.48Å; K1182-E1186 PolarHBondContact O-N 3.17Å; E1186-A1188 PolarHBondContact O-N 3.36Å; E1186-N1189 PolarHBondContact O-N 2.98Å
1187N89.7Confident93Very high110 Ų11037.4 Ų37.459%0.58819%0.189SC*.Hα-helixtrans-67.7-35.3-176.8-69.33.9000113.4T1002 T1183T1002-N1187 PolarHBondContact OG1-O 3.15Å; T1002-N1187 VanDerWaalsContact OG1-O 3.11Å; T1183-N1187 WeakPolarHBondContact CG2-ND2 3.15Å; T1183-N1187 WeakPolarHBondContact O-CB 3.27Å; T1183-N1187 PolarHBondContact O-N 3.48Å; T1183-N1187 PolarHBondContact O-OD1 3.46Å
1188A90.1Very high92.9Very high0 Ų038.5 Ų38.50%020%0.197CC..THydrogen-bonded Turntrans-97.47.9177.900000113.5I1000 T1002 V1184 E1186 L1190I1000-A1188 HydrophobicContact CB-CB 4.15Å; I1000-A1188 HydrophobicContact CG2-CB 3.6Å; T1002-A1188 VanDerWaalsContact OG1-CA 3.31Å; T1002-A1188 WeakPolarHBondContact OG1-CA 3.3Å; V1184-A1188 WeakPolarHBondContact O-CB 3.29Å; V1184-A1188 PolarHBondContact O-N 2.82Å; E1186-A1188 PolarHBondContact O-N 3.36Å; A1188-L1190 VanDerWaalsContact C-N 3.27Å; A1188-L1190 HydrophobicContact CB-CD1 4.03Å; A1188-L1190 HydrophobicContact CB-CD2 3.83Å; A1188-L1190 HydrophobicContact CB-CG 3.69Å; A1188-L1190 WeakPolarHBondContact O-CD2 3.15Å; A1188-L1190 PolarHBondContact O-N 2.75Å
1189N92Very high92.7Very high73 Ų7338.1 Ų38.139%0.3919%0.194SC..THydrogen-bonded Turntrans47.646.4178.7-168.2-0.3000113Q1092 V1185 E1186Q1092-N1189 WeakPolarHBondContact CA-O 3.38Å; Q1092-N1189 PolarHBondContact N-O 2.9Å; Q1092-N1189 PolarHBondContact NE2-OD1 3.38Å; V1185-N1189 WeakPolarHBondContact O-CA 3.31Å; V1185-N1189 PolarHBondContact O-N 3.08Å; V1185-N1189 VanDerWaalsContact O-N 3.09Å; E1186-N1189 PolarHBondContact O-N 2.98Å
1190L92.1Very high92.6Very high10 Ų1040.1 Ų40.15%0.05220%0.202CC..  trans-84.3147.4-169.8-57.9174.8000112.4I1000 V1089 V1095 I1136 V1184 V1185 A1188I1000-L1190 HydrophobicContact CD1-CD1 4.09Å; I1000-L1190 HydrophobicContact CG2-CD1 4.38Å; I1000-L1190 HydrophobicContact CG2-CD2 4.25Å; V1089-L1190 HydrophobicContact CG2-CD2 3.83Å; V1095-L1190 HydrophobicContact CG1-CB 4.23Å; V1095-L1190 HydrophobicContact CG1-CD1 4.13Å; V1095-L1190 HydrophobicContact CG1-CD2 4.1Å; V1095-L1190 HydrophobicContact CG1-CG 4.39Å; V1095-L1190 HydrophobicContact CG2-CB 4.31Å; I1136-L1190 HydrophobicContact CD1-CD1 4.07Å; V1184-L1190 HydrophobicContact CG1-CD1 4.07Å; V1185-L1190 HydrophobicContact CG1-CB 4.42Å; V1185-L1190 HydrophobicContact CG2-CB 4.46Å; V1185-L1190 PolarHBondContact O-N 3.3Å; A1188-L1190 VanDerWaalsContact C-N 3.27Å; A1188-L1190 HydrophobicContact CB-CD1 4.03Å; A1188-L1190 HydrophobicContact CB-CD2 3.83Å; A1188-L1190 HydrophobicContact CB-CG 3.69Å; A1188-L1190 WeakPolarHBondContact O-CD2 3.15Å; A1188-L1190 PolarHBondContact O-N 2.75Å
1191R92.6Very high92.5Very high88 Ų8838.9 Ų38.933%0.33220%0.195SC..EExtended strand (participates in β ladder)trans-102.6103.8171.8-170.7164.378.3-155.28.2111T1093 E1094 V1095 H1193T1093-R1191 PolarHBondContact O-N 2.84Å; E1094-R1191 WeakPolarHBondContact CA-O 3.44Å; E1094-R1191 HydrophobicContact CG-CB 4.4Å; E1094-R1191 IonicContact OE1-CZ 2.88Å; E1094-R1191 IonicContact OE1-NE 2.97Å; E1094-R1191 PolarHBondContact OE1-NE 3.13Å; E1094-R1191 IonicContact OE1-NH2 3.96Å; E1094-R1191 PolarHBondContact OE1-NH2 2.9Å; E1094-R1191 IonicContact OE2-NH2 2.69Å; V1095-R1191 PolarHBondContact N-O 3.33Å; R1191-H1193 PolarHBondContact O-N 2.77Å
1192V94.5Very high92.4Very high23 Ų2339.1 Ų39.114%0.13920%0.197CC..EExtended strand (participates in β ladder)trans-74.3110177-170.20000110V1095 V1097 V1185 L1210V1095-V1192 HydrophobicContact CG2-CB 4.18Å; V1095-V1192 HydrophobicContact CG2-CG1 4.39Å; V1095-V1192 HydrophobicContact CG2-CG2 3.8Å; V1097-V1192 HydrophobicContact CG2-CG1 3.78Å; V1097-V1192 HydrophobicContact CG2-CG2 4.49Å; V1185-V1192 HydrophobicContact CG1-CG2 4.27Å; V1185-V1192 HydrophobicContact CG2-CG2 3.69Å; V1192-L1210 HydrophobicContact CB-CD1 4.01Å; V1192-L1210 HydrophobicContact CG1-CD1 3.86Å; V1192-L1210 HydrophobicContact CG1-CD2 4.06Å; V1192-L1210 HydrophobicContact CG1-CG 4.38Å
1193H95Very high92.2Very high13 Ų1341.1 Ų41.16%0.0621%0.211CC..EExtended strand (participates in β ladder)trans-80-44.9-177.3175.868.6000112.3V1095 W1128 Y1133 R1191 N1214 L1249 R1251V1095-H1193 PolarHBondContact O-N 2.91Å; W1128-H1193 AromaticContact CH2-NE2 3.83Å; W1128-H1193 AromaticContact CZ3-CD2 3.56Å; W1128-H1193 AromaticContact CZ3-NE2 3.47Å; W1128-H1193 WeakPolarHBondContact CZ3-NE2 3.17Å; Y1133-H1193 HydrophobicContact CD1-CB 4.12Å; Y1133-H1193 HydrophobicContact CE1-CB 3.57Å; Y1133-H1193 AromaticContact CE1-CD2 3.55Å; Y1133-H1193 AromaticContact CE1-CG 3.53Å; Y1133-H1193 AromaticContact CZ-CD2 3.48Å; Y1133-H1193 VanDerWaalsContact CZ-CD2 3.48Å; Y1133-H1193 AromaticContact CZ-CG 3.86Å; Y1133-H1193 AromaticContact CZ-NE2 3.79Å; Y1133-H1193 PolarHBondContact OH-CD2 2.82Å; Y1133-H1193 PolarHBondContact OH-CE1 3.22Å; Y1133-H1193 PolarHBondContact OH-NE2 3.31Å; R1191-H1193 PolarHBondContact O-N 2.77Å; H1193-N1214 PolarHBondContact O-ND2 2.87Å; H1193-L1249 PolarHBondContact CE1-O 3.02Å; H1193-L1249 PolarHBondContact NE2-O 3.48Å; H1193-R1251 PolarHBondContact ND1-NH2 3.38Å; H1193-R1251 VanDerWaalsContact ND1-NH2 3.12Å
1194C95.7Very high92.2Very high0 Ų038.8 Ų38.80%020%0.197CC..EExtended strand (participates in β ladder)trans-152.6158.2171.961.90000112.2V1097 N1214 F1216V1097-C1194 PolarHBondContact N-O 2.75Å; V1097-C1194 VanDerWaalsContact N-O 3.08Å; C1194-N1214 VanDerWaalsContact CA-O 3.27Å; C1194-N1214 WeakPolarHBondContact CA-O 3.14Å; C1194-N1214 VanDerWaalsContact CB-O 3.29Å; C1194-N1214 WeakPolarHBondContact CB-O 3.46Å; C1194-F1216 HydrophobicContact CB-CD2 4.3Å; C1194-F1216 HydrophobicContact CB-CE2 3.96Å
1195G95.6Very high92.3Very high0 Ų037.8 Ų37.80%019%0.191CC..EExtended strand (participates in β ladder)trans-128.4129.1-178.700000111.4V1097 N1214 I1215 F1216V1097-G1195 CarbonylContact O-C 3.56Å; V1097-G1195 WeakPolarHBondContact O-CA 3.26Å; G1195-N1214 PolarHBondContact N-O 2.8Å; G1195-I1215 CarbonylContact O-C 3.53Å; G1195-I1215 WeakPolarHBondContact O-CA 3.43Å; G1195-F1216 PolarHBondContact O-N 2.77Å
1196Y96.2Very high92.2Very high0 Ų042.7 Ų42.70%021%0.207CC..EExtended strand (participates in β ladder)trans-105.2135.3175-68.5-98.6000109.8V1096 V1097 F1098 S1099 S1103 V1124 W1128 Y1205 F1216 L1232 Y1236 H1239V1096-Y1196 HydrophobicContact CG1-CD2 4.11Å; V1096-Y1196 HydrophobicContact CG1-CE2 3.93Å; V1097-Y1196 PolarHBondContact O-N 3.37Å; F1098-Y1196 AromaticContact CD1-CD2 3.74Å; F1098-Y1196 HydrophobicContact CD1-CD2 3.74Å; F1098-Y1196 AromaticContact CD1-CG 3.69Å; F1098-Y1196 HydrophobicContact CD1-CG 3.69Å; F1098-Y1196 HydrophobicContact CE1-CD1 4.09Å; F1098-Y1196 AromaticContact CE1-CD2 3.35Å; F1098-Y1196 HydrophobicContact CE1-CD2 3.35Å; F1098-Y1196 AromaticContact CE1-CE2 3.87Å; F1098-Y1196 HydrophobicContact CE1-CE2 3.87Å; F1098-Y1196 AromaticContact CE1-CG 3.5Å; F1098-Y1196 HydrophobicContact CE1-CG 3.5Å; F1098-Y1196 HydrophobicContact CE2-CD2 4.48Å; F1098-Y1196 HydrophobicContact CG-CD2 4.46Å; F1098-Y1196 AromaticContact CZ-CD2 3.77Å; F1098-Y1196 HydrophobicContact CZ-CD2 3.77Å; F1098-Y1196 AromaticContact CZ-CE2 3.95Å; F1098-Y1196 HydrophobicContact CZ-CE2 3.95Å; F1098-Y1196 HydrophobicContact CZ-CG 4.37Å; S1099-Y1196 VanDerWaalsContact CB-O 3.24Å; S1099-Y1196 WeakPolarHBondContact CB-O 3.36Å; S1099-Y1196 PolarHBondContact N-O 3.14Å; S1103-Y1196 WeakPolarHBondContact OG-CB 3.49Å; S1103-Y1196 PolarHBondContact OG-O 2.74Å; V1124-Y1196 HydrophobicContact CG1-CE1 3.99Å; W1128-Y1196 WeakPolarHBondContact CZ2-OH 3.32Å; W1128-Y1196 AromaticContact NE1-CE2 3.59Å; W1128-Y1196 AromaticContact NE1-CZ 3.56Å; W1128-Y1196 PolarHBondContact NE1-OH 2.82Å; Y1196-Y1205 PolarHBondContact O-OH 2.75Å; Y1196-F1216 WeakPolarHBondContact CA-O 3.28Å; Y1196-F1216 HydrophobicContact CD1-CB 3.51Å; Y1196-F1216 HydrophobicContact CD1-CD2 4.15Å; Y1196-F1216 HydrophobicContact CD1-CG 4.12Å; Y1196-F1216 HydrophobicContact CD2-CD2 4.37Å; Y1196-F1216 HydrophobicContact CE1-CB 3.59Å; Y1196-F1216 AromaticContact CE1-CD2 3.58Å; Y1196-F1216 HydrophobicContact CE1-CD2 3.58Å; Y1196-F1216 HydrophobicContact CE1-CE2 4.42Å; Y1196-F1216 AromaticContact CE1-CG 3.69Å; Y1196-F1216 HydrophobicContact CE1-CG 3.69Å; Y1196-F1216 AromaticContact CE2-CD2 3.83Å; Y1196-F1216 HydrophobicContact CE2-CD2 3.83Å; Y1196-F1216 HydrophobicContact CE2-CE2 4.4Å; Y1196-F1216 HydrophobicContact CG-CB 4.14Å; Y1196-F1216 HydrophobicContact CG-CD2 4.49Å; Y1196-F1216 AromaticContact CZ-CD2 3.36Å; Y1196-F1216 AromaticContact CZ-CE2 3.9Å; Y1196-F1216 AromaticContact CZ-CG 3.99Å; Y1196-F1216 WeakPolarHBondContact OH-CD2 3.35Å; Y1196-L1232 HydrophobicContact CD1-CD1 4.36Å; Y1196-L1232 HydrophobicContact CE1-CD1 4.24Å; Y1196-Y1236 AromaticContact CD1-CE1 3.7Å; Y1196-Y1236 HydrophobicContact CD1-CE1 3.7Å; Y1196-Y1236 AromaticContact CE1-CE1 3.96Å; Y1196-Y1236 HydrophobicContact CE1-CE1 3.96Å; Y1196-H1239 AromaticContact CE1-CD2 3.79Å; Y1196-H1239 AromaticContact CE1-NE2 3.58Å; Y1196-H1239 AromaticContact CZ-NE2 3.72Å; Y1196-H1239 PolarHBondContact OH-NE2 3.3Å
1197G92.7Very high92.1Very high0 Ų040.8 Ų40.80%021%0.206CC..EExtended strand (participates in β ladder)trans-177.8-166.3173.200000115.5G1102 S1103 F1216 L1217 V1218G1102-G1197 CarbonylContact O-C 3.42Å; G1102-G1197 VanDerWaalsContact O-C 3.23Å; S1103-G1197 WeakPolarHBondContact OG-CA 3.1Å; S1103-G1197 PolarHBondContact OG-N 3.13Å; G1197-F1216 PolarHBondContact N-O 3.01Å; G1197-L1217 CarbonylContact O-C 3.52Å; G1197-L1217 WeakPolarHBondContact O-CA 3.39Å; G1197-V1218 PolarHBondContact O-N 2.74Å
1198S89.7Confident92.1Very high26 Ų2637.4 Ų37.418%0.18219%0.188CC..EExtended strand (participates in β ladder)trans-84.1170.2176.369.40000110.9G1102 K1200 D1201G1102-S1198 PolarHBondContact O-N 3.36Å; S1198-K1200 PolarHBondContact O-N 3.24Å; S1198-K1200 WeakPolarHBondContact OG-CB 3.39Å; S1198-K1200 PolarHBondContact OG-N 3.29Å; S1198-D1201 PolarHBondContact N-OD2 3.32Å; S1198-D1201 PolarHBondContact O-N 2.79Å; S1198-D1201 PolarHBondContact OG-OD2 3.18Å
1199G88.1Confident92.1Very high13 Ų1340.7 Ų40.713%0.13422%0.222CC..THydrogen-bonded Turntrans-58.5-8.2168.900000115.2Q1225G1199-Q1225 VanDerWaalsContact C-NE2 3.26Å; G1199-Q1225 PolarHBondContact O-NE2 3.28Å
1200K88.8Confident92.2Very high149 Ų14937.8 Ų37.865%0.64821%0.206SC*.THydrogen-bonded Turntrans-83.9-23.6172.2-55.3-179.6-177.9178.90112.9L1174 S1198L1174-K1200 HydrophobicContact CD1-CB 4.24Å; L1174-K1200 HydrophobicContact CD1-CD 4.3Å; S1198-K1200 PolarHBondContact O-N 3.24Å; S1198-K1200 WeakPolarHBondContact OG-CB 3.39Å; S1198-K1200 PolarHBondContact OG-N 3.29Å
1201D90.8Very high92.2Very high5 Ų539.8 Ų39.83%0.02722%0.221CC..THydrogen-bonded Turntrans-86.9-9.9-173.2-60.4-66.6000113.1S1099 K1177 S1198 N1203 L1204 Y1205S1099-D1201 WeakPolarHBondContact CB-OD2 3.4Å; S1099-D1201 PolarHBondContact OG-OD1 3.19Å; S1099-D1201 PolarHBondContact OG-OD2 3.05Å; K1177-D1201 IonicContact NZ-OD1 3.92Å; K1177-D1201 PolarHBondContact NZ-OD1 2.87Å; S1198-D1201 PolarHBondContact N-OD2 3.32Å; S1198-D1201 PolarHBondContact O-N 2.79Å; S1198-D1201 PolarHBondContact OG-OD2 3.18Å; D1201-N1203 PolarHBondContact O-N 2.66Å; D1201-L1204 WeakPolarHBondContact O-CB 3.33Å; D1201-L1204 PolarHBondContact O-N 2.63Å; D1201-L1204 VanDerWaalsContact O-N 3.17Å; D1201-Y1205 HydrophobicContact CB-CD2 4.12Å; D1201-Y1205 HydrophobicContact CB-CE2 3.59Å; D1201-Y1205 VanDerWaalsContact O-CD2 3.26Å; D1201-Y1205 WeakPolarHBondContact O-CD2 3.42Å; D1201-Y1205 PolarHBondContact O-N 2.92Å; D1201-Y1205 VanDerWaalsContact O-N 3.13Å
1202I91.7Very high92.2Very high7 Ų738.2 Ų38.24%0.03622%0.221CC..Hα-helixtrans-51-50.9179.7-68.9168.8000112.5L1204 Y1205 R1206 L1217 Q1225 N1228I1202-L1204 VanDerWaalsContact C-N 3.26Å; I1202-L1204 PolarHBondContact O-N 2.83Å; I1202-Y1205 PolarHBondContact O-N 2.8Å; I1202-R1206 HydrophobicContact CG2-CG 4.34Å; I1202-R1206 WeakPolarHBondContact O-CB 3.33Å; I1202-R1206 WeakPolarHBondContact O-CG 3.23Å; I1202-R1206 PolarHBondContact O-N 2.82Å; I1202-L1217 HydrophobicContact CD1-CD1 3.72Å; I1202-L1217 HydrophobicContact CD1-CD2 4.06Å; I1202-L1217 HydrophobicContact CG1-CD1 4.1Å; I1202-L1217 HydrophobicContact CG1-CD2 3.58Å; I1202-L1217 HydrophobicContact CG1-CG 4.48Å; I1202-Q1225 HydrophobicContact CD1-CB 3.62Å; I1202-Q1225 HydrophobicContact CD1-CG 3.79Å; I1202-N1228 HydrophobicContact CD1-CB 4.34Å; I1202-N1228 HydrophobicContact CG2-CB 3.68Å
1203N90.8Very high92Very high131 Ų13142.7 Ų42.770%0.70124%0.241SC*.Hα-helixtrans-66.4-31.3-174.7-69-6.8000111.8D1201 S1207D1201-N1203 PolarHBondContact O-N 2.66Å; N1203-S1207 WeakPolarHBondContact O-CB 3.39Å; N1203-S1207 PolarHBondContact O-N 3.1Å; N1203-S1207 VanDerWaalsContact O-N 3.07Å
1204L91Very high92Very high13 Ų1343.2 Ų43.27%0.06824%0.244CC..Hα-helixtrans-64.6-56.2172163.348.9000110.2L1138 K1177 A1178 L1181 D1201 I1202 R1206 S1207 L1208L1138-L1204 HydrophobicContact CD2-CD2 4.09Å; K1177-L1204 HydrophobicContact CG-CD2 4.19Å; A1178-L1204 HydrophobicContact CB-CB 4.21Å; A1178-L1204 HydrophobicContact CB-CD1 3.77Å; A1178-L1204 HydrophobicContact CB-CD2 4.36Å; A1178-L1204 HydrophobicContact CB-CG 4.32Å; L1181-L1204 HydrophobicContact CB-CD1 4.29Å; L1181-L1204 HydrophobicContact CD2-CD1 3.93Å; L1181-L1204 HydrophobicContact CD2-CD2 4.15Å; L1181-L1204 HydrophobicContact CD2-CG 4.18Å; D1201-L1204 WeakPolarHBondContact O-CB 3.33Å; D1201-L1204 PolarHBondContact O-N 2.63Å; D1201-L1204 VanDerWaalsContact O-N 3.17Å; I1202-L1204 VanDerWaalsContact C-N 3.26Å; I1202-L1204 PolarHBondContact O-N 2.83Å; L1204-R1206 VanDerWaalsContact C-N 3.33Å; L1204-R1206 PolarHBondContact O-N 3.11Å; L1204-S1207 WeakPolarHBondContact O-CB 3.33Å; L1204-S1207 PolarHBondContact O-N 2.92Å; L1204-S1207 PolarHBondContact O-OG 3.03Å; L1204-L1208 HydrophobicContact CD1-CD1 3.92Å; L1204-L1208 HydrophobicContact CD1-CG 4.33Å; L1204-L1208 PolarHBondContact O-N 3.18Å
1205Y94.2Very high92.1Very high0 Ų043.2 Ų43.20%024%0.244CC..Hα-helixtrans-62.5-38.1-178.1-62.6-52.2000113.1V1097 L1181 Y1196 D1201 I1202 S1207 L1208 L1210 I1215V1097-Y1205 HydrophobicContact CB-CE1 4.04Å; V1097-Y1205 HydrophobicContact CG1-CE1 3.87Å; L1181-Y1205 HydrophobicContact CD2-CE1 4.31Å; Y1196-Y1205 PolarHBondContact O-OH 2.75Å; D1201-Y1205 HydrophobicContact CB-CD2 4.12Å; D1201-Y1205 HydrophobicContact CB-CE2 3.59Å; D1201-Y1205 VanDerWaalsContact O-CD2 3.26Å; D1201-Y1205 WeakPolarHBondContact O-CD2 3.42Å; D1201-Y1205 PolarHBondContact O-N 2.92Å; D1201-Y1205 VanDerWaalsContact O-N 3.13Å; I1202-Y1205 PolarHBondContact O-N 2.8Å; Y1205-S1207 VanDerWaalsContact C-N 3.3Å; Y1205-S1207 PolarHBondContact O-N 3.35Å; Y1205-L1208 PolarHBondContact O-N 3Å; Y1205-L1208 VanDerWaalsContact O-N 3.14Å; Y1205-L1210 HydrophobicContact CD1-CD2 4.44Å; Y1205-L1210 WeakPolarHBondContact O-CB 3.5Å; Y1205-L1210 VanDerWaalsContact O-CD1 3.3Å; Y1205-L1210 WeakPolarHBondContact O-CD1 3.33Å; Y1205-L1210 PolarHBondContact O-N 2.71Å; Y1205-I1215 HydrophobicContact CD2-CG2 4.05Å
1206R92.3Very high92Very high123 Ų12343.2 Ų43.246%0.46424%0.244SC..Hα-helixtrans-65.1-31.2173-69.4-164.366.8136.712.2112.9I1202 L1204 L1208 G1209 I1215 N1228I1202-R1206 HydrophobicContact CG2-CG 4.34Å; I1202-R1206 WeakPolarHBondContact O-CB 3.33Å; I1202-R1206 WeakPolarHBondContact O-CG 3.23Å; I1202-R1206 PolarHBondContact O-N 2.82Å; L1204-R1206 VanDerWaalsContact C-N 3.33Å; L1204-R1206 PolarHBondContact O-N 3.11Å; R1206-L1208 PolarHBondContact O-N 3.07Å; R1206-G1209 PolarHBondContact O-N 2.88Å; R1206-I1215 HydrophobicContact CG-CD1 3.74Å; R1206-N1228 PolarHBondContact NH1-OD1 2.8Å
1207S90Very high91.9Very high73 Ų7343.3 Ų43.351%0.5124%0.244SC..Hα-helixtrans-70.6-14.8174.576.20000114.3N1203 L1204 Y1205N1203-S1207 WeakPolarHBondContact O-CB 3.39Å; N1203-S1207 PolarHBondContact O-N 3.1Å; N1203-S1207 VanDerWaalsContact O-N 3.07Å; L1204-S1207 WeakPolarHBondContact O-CB 3.33Å; L1204-S1207 PolarHBondContact O-N 2.92Å; L1204-S1207 PolarHBondContact O-OG 3.03Å; Y1205-S1207 VanDerWaalsContact C-N 3.3Å; Y1205-S1207 PolarHBondContact O-N 3.35Å
1208L90.3Very high91.7Very high38 Ų3843.9 Ų43.920%0.19925%0.248CC..THydrogen-bonded Turntrans-10011.8173.1-60.2173.1000112.6L1181 K1182 L1204 Y1205 R1206 L1210L1181-L1208 HydrophobicContact CD2-CD1 3.41Å; L1181-L1208 VanDerWaalsContact CD2-CD1 3.41Å; L1181-L1208 HydrophobicContact CG-CD1 3.73Å; K1182-L1208 HydrophobicContact CB-CD2 4.11Å; K1182-L1208 HydrophobicContact CG-CD2 4.3Å; L1204-L1208 HydrophobicContact CD1-CD1 3.92Å; L1204-L1208 HydrophobicContact CD1-CG 4.33Å; L1204-L1208 PolarHBondContact O-N 3.18Å; Y1205-L1208 PolarHBondContact O-N 3Å; Y1205-L1208 VanDerWaalsContact O-N 3.14Å; R1206-L1208 PolarHBondContact O-N 3.07Å; L1208-L1210 HydrophobicContact CB-CD1 3.81Å; L1208-L1210 PolarHBondContact O-N 3.26Å
1209G90.8Very high91.4Very high69 Ų6945.4 Ų45.471%0.71127%0.267SS*.THydrogen-bonded Turntrans79.26.817700000115.8R1206 S1211R1206-G1209 PolarHBondContact O-N 2.88Å; G1209-S1211 PolarHBondContact O-N 2.98Å
1210L93.4Very high91.1Very high12 Ų1255 Ų556%0.06331%0.306CS..  trans-65.1130.6175.7-74.784.6000110.6V1192 Y1205 L1208 N1214 I1215V1192-L1210 HydrophobicContact CB-CD1 4.01Å; V1192-L1210 HydrophobicContact CG1-CD1 3.86Å; V1192-L1210 HydrophobicContact CG1-CD2 4.06Å; V1192-L1210 HydrophobicContact CG1-CG 4.38Å; Y1205-L1210 HydrophobicContact CD1-CD2 4.44Å; Y1205-L1210 WeakPolarHBondContact O-CB 3.5Å; Y1205-L1210 VanDerWaalsContact O-CD1 3.3Å; Y1205-L1210 WeakPolarHBondContact O-CD1 3.33Å; Y1205-L1210 PolarHBondContact O-N 2.71Å; L1208-L1210 HydrophobicContact CB-CD1 3.81Å; L1208-L1210 PolarHBondContact O-N 3.26Å; L1210-N1214 HydrophobicContact CB-CB 4.45Å; L1210-N1214 HydrophobicContact CD2-CB 4.26Å; L1210-I1215 HydrophobicContact CB-CD1 4.04Å; L1210-I1215 HydrophobicContact CB-CG1 3.79Å; L1210-I1215 HydrophobicContact CD2-CG1 4.27Å
1211S92.8Very high90.8Very high52 Ų5250 Ų5036%0.36429%0.285SS..  trans-76.5158.8172.587.50000111.5G1209 Q1213 N1214G1209-S1211 PolarHBondContact O-N 2.98Å; S1211-Q1213 PolarHBondContact O-N 2.87Å; S1211-Q1213 VanDerWaalsContact O-N 3.1Å; S1211-Q1213 WeakPolarHBondContact OG-CG 3.43Å; S1211-N1214 PolarHBondContact O-N 2.94Å; S1211-N1214 PolarHBondContact OG-OD1 2.85Å
1212T91.7Very high90.6Very high55 Ų5552.4 Ų52.434%0.33730%0.303SS..G310 helixtrans-47.6-42.3-177.1-57.60000113.6N1214 I1215 G1229T1212-N1214 VanDerWaalsContact C-N 3.29Å; T1212-N1214 PolarHBondContact O-N 2.85Å; T1212-I1215 PolarHBondContact O-N 2.9Å; T1212-G1229 WeakPolarHBondContact O-CA 3.49Å
1213Q91.6Very high90.3Very high117 Ų11763.4 Ų63.455%0.54734%0.344SS..G310 helixtrans-71.1-21-177.676.4-158.31.100113.7S1211 L1249S1211-Q1213 PolarHBondContact O-N 2.87Å; S1211-Q1213 VanDerWaalsContact O-N 3.1Å; S1211-Q1213 WeakPolarHBondContact OG-CG 3.43Å; Q1213-L1249 WeakPolarHBondContact O-CD1 3.42Å
1214N94.9Very high90Very high24 Ų2461.2 Ų61.213%0.12834%0.339CS..G310 helixtrans-90.7-1.6179.6-63.475.3000112.7H1193 C1194 G1195 L1210 S1211 T1212 L1249H1193-N1214 PolarHBondContact O-ND2 2.87Å; C1194-N1214 VanDerWaalsContact CA-O 3.27Å; C1194-N1214 WeakPolarHBondContact CA-O 3.14Å; C1194-N1214 VanDerWaalsContact CB-O 3.29Å; C1194-N1214 WeakPolarHBondContact CB-O 3.46Å; G1195-N1214 PolarHBondContact N-O 2.8Å; L1210-N1214 HydrophobicContact CB-CB 4.45Å; L1210-N1214 HydrophobicContact CD2-CB 4.26Å; S1211-N1214 PolarHBondContact O-N 2.94Å; S1211-N1214 PolarHBondContact OG-OD1 2.85Å; T1212-N1214 VanDerWaalsContact C-N 3.29Å; T1212-N1214 PolarHBondContact O-N 2.85Å; N1214-L1249 HydrophobicContact CB-CD1 4.34Å
1215I95.8Very high89.8Confident0 Ų063.1 Ų63.10%035%0.347CS..EExtended strand (participates in β ladder)trans-109.4110.7-179.2-60.3172.9000108.4G1195 Y1205 R1206 L1210 T1212 L1217 G1229 T1230G1195-I1215 CarbonylContact O-C 3.53Å; G1195-I1215 WeakPolarHBondContact O-CA 3.43Å; Y1205-I1215 HydrophobicContact CD2-CG2 4.05Å; R1206-I1215 HydrophobicContact CG-CD1 3.74Å; L1210-I1215 HydrophobicContact CB-CD1 4.04Å; L1210-I1215 HydrophobicContact CB-CG1 3.79Å; L1210-I1215 HydrophobicContact CD2-CG1 4.27Å; T1212-I1215 PolarHBondContact O-N 2.9Å; I1215-L1217 HydrophobicContact CG2-CD2 3.79Å; I1215-L1217 HydrophobicContact CG2-CG 4.41Å; I1215-G1229 CarbonylContact O-C 3.56Å; I1215-G1229 WeakPolarHBondContact O-CA 3.27Å; I1215-T1230 PolarHBondContact O-N 3.24Å
1216F95.4Very high89.4Confident1 Ų165.1 Ų65.10%0.00436%0.364CS..EExtended strand (participates in β ladder)trans-99.2126.2-179.4-64.5-70.4000111.3C1194 G1195 Y1196 G1197 T1230 L1232 H1239 L1249C1194-F1216 HydrophobicContact CB-CD2 4.3Å; C1194-F1216 HydrophobicContact CB-CE2 3.96Å; G1195-F1216 PolarHBondContact O-N 2.77Å; Y1196-F1216 WeakPolarHBondContact CA-O 3.28Å; Y1196-F1216 HydrophobicContact CD1-CB 3.51Å; Y1196-F1216 HydrophobicContact CD1-CD2 4.15Å; Y1196-F1216 HydrophobicContact CD1-CG 4.12Å; Y1196-F1216 HydrophobicContact CD2-CD2 4.37Å; Y1196-F1216 HydrophobicContact CE1-CB 3.59Å; Y1196-F1216 AromaticContact CE1-CD2 3.58Å; Y1196-F1216 HydrophobicContact CE1-CD2 3.58Å; Y1196-F1216 HydrophobicContact CE1-CE2 4.42Å; Y1196-F1216 AromaticContact CE1-CG 3.69Å; Y1196-F1216 HydrophobicContact CE1-CG 3.69Å; Y1196-F1216 AromaticContact CE2-CD2 3.83Å; Y1196-F1216 HydrophobicContact CE2-CD2 3.83Å; Y1196-F1216 HydrophobicContact CE2-CE2 4.4Å; Y1196-F1216 HydrophobicContact CG-CB 4.14Å; Y1196-F1216 HydrophobicContact CG-CD2 4.49Å; Y1196-F1216 AromaticContact CZ-CD2 3.36Å; Y1196-F1216 AromaticContact CZ-CE2 3.9Å; Y1196-F1216 AromaticContact CZ-CG 3.99Å; Y1196-F1216 WeakPolarHBondContact OH-CD2 3.35Å; G1197-F1216 PolarHBondContact N-O 3.01Å; F1216-T1230 WeakPolarHBondContact CA-O 3.34Å; F1216-T1230 HydrophobicContact CD1-CG2 4.07Å; F1216-T1230 HydrophobicContact CE1-CG2 4.13Å; F1216-L1232 HydrophobicContact CB-CD1 4.27Å; F1216-L1232 HydrophobicContact CB-CD2 4.45Å; F1216-L1232 HydrophobicContact CB-CG 4.32Å; F1216-L1232 HydrophobicContact CD1-CD2 3.83Å; F1216-H1239 AromaticContact CD1-CE1 3.69Å; F1216-H1239 AromaticContact CD1-NE2 3.91Å; F1216-H1239 AromaticContact CE1-CE1 3.28Å; F1216-H1239 WeakPolarHBondContact CE1-CE1 3.28Å; F1216-H1239 AromaticContact CE1-NE2 3.82Å; F1216-H1239 AromaticContact CZ-CE1 3.59Å; F1216-H1239 AromaticContact CZ-NE2 3.92Å; F1216-L1249 HydrophobicContact CE2-CD1 4.28Å; F1216-L1249 HydrophobicContact CZ-CD1 4.05Å
1217L93.8Very high89.3Confident1 Ų163.9 Ų63.91%0.00537%0.37CS..EExtended strand (participates in β ladder)trans-110.9130.7-170.3-58-178.7000112.9G1197 I1202 I1215 I1221 G1229 T1230 L1232G1197-L1217 CarbonylContact O-C 3.52Å; G1197-L1217 WeakPolarHBondContact O-CA 3.39Å; I1202-L1217 HydrophobicContact CD1-CD1 3.72Å; I1202-L1217 HydrophobicContact CD1-CD2 4.06Å; I1202-L1217 HydrophobicContact CG1-CD1 4.1Å; I1202-L1217 HydrophobicContact CG1-CD2 3.58Å; I1202-L1217 HydrophobicContact CG1-CG 4.48Å; I1215-L1217 HydrophobicContact CG2-CD2 3.79Å; I1215-L1217 HydrophobicContact CG2-CG 4.41Å; L1217-I1221 HydrophobicContact CB-CD1 3.78Å; L1217-I1221 HydrophobicContact CB-CG1 3.97Å; L1217-I1221 HydrophobicContact CD1-CG2 4.02Å; L1217-G1229 WeakPolarHBondContact CD1-O 3.44Å; L1217-T1230 PolarHBondContact N-O 2.74Å; L1217-L1232 PolarHBondContact O-N 3.37Å
1218V88.8Confident89.3Confident12 Ų1262.4 Ų62.47%0.07336%0.356CS..EExtended strand (participates in β ladder)trans-119.2146.4-174.6-173.90000111G1197 I1221 L1232 Y1236G1197-V1218 PolarHBondContact O-N 2.74Å; V1218-I1221 WeakPolarHBondContact O-CD1 3.23Å; V1218-L1232 HydrophobicContact CG2-CD1 4.31Å; V1218-Y1236 HydrophobicContact CG1-CE2 4.03Å; V1218-Y1236 HydrophobicContact CG2-CE2 3.63Å; V1218-Y1236 WeakPolarHBondContact CG2-OH 3.34Å
1219G81.8Confident89.4Confident58 Ų5860.7 Ų60.760%0.59835%0.347SS*.SBendtrans85.9-149.8176.900000113.8I1221G1219-I1221 PolarHBondContact O-N 2.65Å
1220K81.8Confident89.5Confident216 Ų21659.8 Ų59.894%0.93933%0.328SS*.SBendtrans-80.3105.7-178.6-66.6-176179.6-179.10110.4
1221I83.4Confident89.4Confident43 Ų4361.7 Ų61.722%0.22134%0.341CS..  trans-106.4132.2-177.7-53.8-52.8000110.3L1217 V1218 G1219 Q1225 A1226L1217-I1221 HydrophobicContact CB-CD1 3.78Å; L1217-I1221 HydrophobicContact CB-CG1 3.97Å; L1217-I1221 HydrophobicContact CD1-CG2 4.02Å; V1218-I1221 WeakPolarHBondContact O-CD1 3.23Å; G1219-I1221 PolarHBondContact O-N 2.65Å; I1221-Q1225 HydrophobicContact CG2-CB 3.59Å; I1221-A1226 HydrophobicContact CG2-CB 4.15Å
1222S86.2Confident89.3Confident55 Ų5560.4 Ų60.439%0.38533%0.33SS..  trans-79.7160.5175.286.70000112.2S1224 Q1225 A1226S1222-S1224 PolarHBondContact O-N 3.19Å; S1222-S1224 PolarHBondContact OG-N 2.89Å; S1222-Q1225 PolarHBondContact O-N 3.23Å; S1222-Q1225 WeakPolarHBondContact OG-CG 3.21Å; S1222-Q1225 PolarHBondContact OG-N 3.39Å; S1222-Q1225 PolarHBondContact OG-OE1 3.14Å; S1222-A1226 PolarHBondContact O-N 3.35Å
1223R84.9Confident89Confident238 Ų23862.8 Ų62.890%0.89835%0.349SS*.Hα-helixtrans-55.2-35.1176.1-64.2-175.4-173.6168.32.3112.9
1224S85.5Confident88.7Confident85 Ų8563.2 Ų63.259%0.59435%0.351SS*.Hα-helixtrans-77.2-22.4177.9173.40000113.2S1222 T1227 N1228S1222-S1224 PolarHBondContact O-N 3.19Å; S1222-S1224 PolarHBondContact OG-N 2.89Å; S1224-T1227 PolarHBondContact O-OG1 2.87Å; S1224-T1227 VanDerWaalsContact O-OG1 3.08Å; S1224-N1228 PolarHBondContact O-ND2 2.85Å
1225Q87.2Confident88.2Confident54 Ų5463.7 Ų63.725%0.25236%0.362SS..Hα-helixtrans-82.9-35.6172.9-71.7166.6-42.700111.3G1199 I1202 I1221 S1222 T1227 N1228 G1229G1199-Q1225 VanDerWaalsContact C-NE2 3.26Å; G1199-Q1225 PolarHBondContact O-NE2 3.28Å; I1202-Q1225 HydrophobicContact CD1-CB 3.62Å; I1202-Q1225 HydrophobicContact CD1-CG 3.79Å; I1221-Q1225 HydrophobicContact CG2-CB 3.59Å; S1222-Q1225 PolarHBondContact O-N 3.23Å; S1222-Q1225 WeakPolarHBondContact OG-CG 3.21Å; S1222-Q1225 PolarHBondContact OG-N 3.39Å; S1222-Q1225 PolarHBondContact OG-OE1 3.14Å; Q1225-T1227 PolarHBondContact O-N 2.72Å; Q1225-N1228 CarbonylContact O-C 3.55Å; Q1225-N1228 WeakPolarHBondContact O-CA 3.41Å; Q1225-N1228 PolarHBondContact O-N 2.83Å; Q1225-G1229 PolarHBondContact O-N 3.4Å
1226A86Confident88Confident42 Ų4263.9 Ų63.935%0.34736%0.363SS..Hα-helixtrans-65.9-18.2178.500000114.6I1221 S1222 N1228 P1231I1221-A1226 HydrophobicContact CG2-CB 4.15Å; S1222-A1226 PolarHBondContact O-N 3.35Å; A1226-N1228 VanDerWaalsContact C-N 3.29Å; A1226-P1231 HydrophobicContact CB-CG 3.79Å
1227T88.9Confident87.5Confident96 Ų9665.5 Ų65.559%0.58937%0.374SS*.THydrogen-bonded Turntrans-83.4-5.8170540000113.1S1224 Q1225S1224-T1227 PolarHBondContact O-OG1 2.87Å; S1224-T1227 VanDerWaalsContact O-OG1 3.08Å; Q1225-T1227 PolarHBondContact O-N 2.72Å
1228N90.8Very high87.3Confident43 Ų4368 Ų6823%0.2339%0.392CS..SBendtrans-120.90.2-173.5-73.5-74.6000114.1I1202 R1206 S1224 Q1225 A1226I1202-N1228 HydrophobicContact CD1-CB 4.34Å; I1202-N1228 HydrophobicContact CG2-CB 3.68Å; R1206-N1228 PolarHBondContact NH1-OD1 2.8Å; S1224-N1228 PolarHBondContact O-ND2 2.85Å; Q1225-N1228 CarbonylContact O-C 3.55Å; Q1225-N1228 WeakPolarHBondContact O-CA 3.41Å; Q1225-N1228 PolarHBondContact O-N 2.83Å; A1226-N1228 VanDerWaalsContact C-N 3.29Å
1229G91.6Very high87.5Confident1 Ų168.2 Ų68.21%0.0139%0.392CS..SBendtrans-169.7156.8167.400000111.3T1212 I1215 L1217 Q1225 P1231T1212-G1229 WeakPolarHBondContact O-CA 3.49Å; I1215-G1229 CarbonylContact O-C 3.56Å; I1215-G1229 WeakPolarHBondContact O-CA 3.27Å; L1217-G1229 WeakPolarHBondContact CD1-O 3.44Å; Q1225-G1229 PolarHBondContact O-N 3.4Å; G1229-P1231 WeakPolarHBondContact O-CD 3.34Å
1230T93.3Very high88Confident50 Ų5066.7 Ų66.731%0.30737%0.37SS..EExtended strand (participates in β ladder)trans-70.7111.1-179.8-55.30000111.4I1215 F1216 L1217I1215-T1230 PolarHBondContact O-N 3.24Å; F1216-T1230 WeakPolarHBondContact CA-O 3.34Å; F1216-T1230 HydrophobicContact CD1-CG2 4.07Å; F1216-T1230 HydrophobicContact CE1-CG2 4.13Å; L1217-T1230 PolarHBondContact N-O 2.74Å
1231P91.9Very high88.3Confident52 Ų5258.1 Ų58.134%0.33834%0.337SS..EExtended strand (participates in β ladder)trans-79.3125.9-178.7-12.130.3000112.3A1226 G1229 S1233A1226-P1231 HydrophobicContact CB-CG 3.79Å; G1229-P1231 WeakPolarHBondContact O-CD 3.34Å; P1231-S1233 PolarHBondContact O-N 2.85Å
1232L91Very high88.7Confident25 Ų2558.6 Ų58.613%0.13134%0.344CS..  trans-80.760175.5-57.5-169.9000111.2Y1196 F1216 L1217 V1218 Q1234 G1235 Y1236 H1239Y1196-L1232 HydrophobicContact CD1-CD1 4.36Å; Y1196-L1232 HydrophobicContact CE1-CD1 4.24Å; F1216-L1232 HydrophobicContact CB-CD1 4.27Å; F1216-L1232 HydrophobicContact CB-CD2 4.45Å; F1216-L1232 HydrophobicContact CB-CG 4.32Å; F1216-L1232 HydrophobicContact CD1-CD2 3.83Å; L1217-L1232 PolarHBondContact O-N 3.37Å; V1218-L1232 HydrophobicContact CG2-CD1 4.31Å; L1232-Q1234 VanDerWaalsContact C-N 3.25Å; L1232-Q1234 PolarHBondContact O-N 3.19Å; L1232-G1235 PolarHBondContact O-N 2.97Å; L1232-Y1236 HydrophobicContact CD1-CD1 4.12Å; L1232-Y1236 HydrophobicContact CD1-CE1 4.06Å; L1232-Y1236 HydrophobicContact CD1-CG 4.43Å; L1232-H1239 HydrophobicContact CD1-CB 4.2Å; L1232-H1239 HydrophobicContact CD2-CB 3.97Å
1233S84.4Confident89Confident105 Ų10556 Ų5673%0.73433%0.326SS*.THydrogen-bonded Turntrans-63.1-27.3-174.856.60000114.2P1231 G1235P1231-S1233 PolarHBondContact O-N 2.85Å; S1233-G1235 VanDerWaalsContact C-N 3.33Å
1234Q84.4Confident89.2Confident127 Ų12749 Ų4959%0.59331%0.305SS*.THydrogen-bonded Turntrans-91.911.2174.8-57.3-62.2-1600113.1L1232 S1238L1232-Q1234 VanDerWaalsContact C-N 3.25Å; L1232-Q1234 PolarHBondContact O-N 3.19Å; Q1234-S1238 WeakPolarHBondContact CB-OG 3.29Å; Q1234-S1238 WeakPolarHBondContact O-CB 3.39Å
1235G85.6Confident89.3Confident34 Ų3451.3 Ų51.335%0.35131%0.311SS..Hα-helixtrans75.1176.8-179.100000114.7L1232 S1233 H1239L1232-G1235 PolarHBondContact O-N 2.97Å; S1233-G1235 VanDerWaalsContact C-N 3.33Å; G1235-H1239 PolarHBondContact O-N 3.2Å
1236Y91Very high89.1Confident4 Ų451.3 Ų51.32%0.01633%0.326CS..Hα-helixtrans-70.1-32.7-175.7-87-88.8000113.7S1103 H1118 P1119 A1121 V1124 Y1196 V1218 L1232 S1238 H1239 L1240S1103-Y1236 WeakPolarHBondContact CB-OH 3.18Å; S1103-Y1236 WeakPolarHBondContact O-CE2 3.2Å; S1103-Y1236 PolarHBondContact O-OH 3.07Å; S1103-Y1236 VanDerWaalsContact O-OH 3.09Å; H1118-Y1236 HydrophobicContact CB-CD2 3.95Å; H1118-Y1236 HydrophobicContact CB-CE2 4.24Å; P1119-Y1236 WeakPolarHBondContact O-CB 3.32Å; A1121-Y1236 HydrophobicContact CB-CD1 3.99Å; A1121-Y1236 HydrophobicContact CB-CD2 3.59Å; A1121-Y1236 HydrophobicContact CB-CE1 4.13Å; A1121-Y1236 HydrophobicContact CB-CE2 3.73Å; A1121-Y1236 HydrophobicContact CB-CG 3.7Å; V1124-Y1236 HydrophobicContact CB-CD1 3.9Å; V1124-Y1236 HydrophobicContact CB-CE1 4.36Å; V1124-Y1236 HydrophobicContact CG1-CD1 4.19Å; V1124-Y1236 HydrophobicContact CG1-CE1 4.28Å; V1124-Y1236 HydrophobicContact CG2-CD1 3.85Å; Y1196-Y1236 AromaticContact CD1-CE1 3.7Å; Y1196-Y1236 HydrophobicContact CD1-CE1 3.7Å; Y1196-Y1236 AromaticContact CE1-CE1 3.96Å; Y1196-Y1236 HydrophobicContact CE1-CE1 3.96Å; V1218-Y1236 HydrophobicContact CG1-CE2 4.03Å; V1218-Y1236 HydrophobicContact CG2-CE2 3.63Å; V1218-Y1236 WeakPolarHBondContact CG2-OH 3.34Å; L1232-Y1236 HydrophobicContact CD1-CD1 4.12Å; L1232-Y1236 HydrophobicContact CD1-CE1 4.06Å; L1232-Y1236 HydrophobicContact CD1-CG 4.43Å; Y1236-S1238 PolarHBondContact O-N 3.06Å; Y1236-H1239 CarbonylContact O-C 3.59Å; Y1236-H1239 WeakPolarHBondContact O-CB 3.1Å; Y1236-H1239 PolarHBondContact O-N 3.11Å; Y1236-L1240 WeakPolarHBondContact O-CB 3.25Å; Y1236-L1240 PolarHBondContact O-N 2.74Å
1237S86.1Confident89.1Confident34 Ų3451.6 Ų51.624%0.23832%0.32CS..Hα-helixtrans-64.2-41.4179.5-38.90000112.1Y904 P1119 H1239 L1240 S1241Y904-S1237 WeakPolarHBondContact OH-CB 3.31Å; P1119-S1237 PolarHBondContact O-OG 3.42Å; S1237-H1239 VanDerWaalsContact C-N 3.33Å; S1237-H1239 PolarHBondContact O-N 2.88Å; S1237-L1240 WeakPolarHBondContact O-CB 3.31Å; S1237-L1240 PolarHBondContact O-N 3.47Å; S1237-S1241 PolarHBondContact O-N 3.16Å; S1237-S1241 PolarHBondContact O-OG 3.09Å; S1237-S1241 VanDerWaalsContact O-OG 3.14Å
1238S88.1Confident89.1Confident55 Ų5553 Ų5339%0.38533%0.328SS..Hα-helixtrans-66.4-34.9173.5177.80000112.5Q1234 Y1236 S1241 S1242Q1234-S1238 WeakPolarHBondContact CB-OG 3.29Å; Q1234-S1238 WeakPolarHBondContact O-CB 3.39Å; Y1236-S1238 PolarHBondContact O-N 3.06Å; S1238-S1241 PolarHBondContact O-N 2.88Å; S1238-S1242 PolarHBondContact O-N 2.76Å; S1238-S1242 VanDerWaalsContact O-N 3.17Å
1239H94Very high89.2Confident15 Ų1551.7 Ų51.77%0.06932%0.321CS..Hα-helixtrans-65.5-42.3172.7-173.850.2000111.9Y1196 F1216 L1232 G1235 Y1236 S1237 S1241 S1242 L1243Y1196-H1239 AromaticContact CE1-CD2 3.79Å; Y1196-H1239 AromaticContact CE1-NE2 3.58Å; Y1196-H1239 AromaticContact CZ-NE2 3.72Å; Y1196-H1239 PolarHBondContact OH-NE2 3.3Å; F1216-H1239 AromaticContact CD1-CE1 3.69Å; F1216-H1239 AromaticContact CD1-NE2 3.91Å; F1216-H1239 AromaticContact CE1-CE1 3.28Å; F1216-H1239 WeakPolarHBondContact CE1-CE1 3.28Å; F1216-H1239 AromaticContact CE1-NE2 3.82Å; F1216-H1239 AromaticContact CZ-CE1 3.59Å; F1216-H1239 AromaticContact CZ-NE2 3.92Å; L1232-H1239 HydrophobicContact CD1-CB 4.2Å; L1232-H1239 HydrophobicContact CD2-CB 3.97Å; G1235-H1239 PolarHBondContact O-N 3.2Å; Y1236-H1239 CarbonylContact O-C 3.59Å; Y1236-H1239 WeakPolarHBondContact O-CB 3.1Å; Y1236-H1239 PolarHBondContact O-N 3.11Å; S1237-H1239 VanDerWaalsContact C-N 3.33Å; S1237-H1239 PolarHBondContact O-N 2.88Å; H1239-S1241 PolarHBondContact O-N 3.18Å; H1239-S1242 WeakPolarHBondContact O-CA 3.39Å; H1239-S1242 WeakPolarHBondContact O-CB 3.29Å; H1239-S1242 PolarHBondContact O-N 2.88Å; H1239-S1242 VanDerWaalsContact O-N 3.09Å; H1239-L1243 WeakPolarHBondContact O-CG 3.45Å; H1239-L1243 PolarHBondContact O-N 2.78Å
1240L92Very high89.2Confident26 Ų2653 Ų5314%0.13633%0.33CS..Hα-helixtrans-58.8-46.2174.2-176.366.4000111.3D1123 V1124 H1127 Y1236 S1237 S1242 L1243 I1244D1123-L1240 HydrophobicContact CB-CD2 3.67Å; V1124-L1240 HydrophobicContact CG2-CB 3.74Å; V1124-L1240 HydrophobicContact CG2-CD1 3.95Å; V1124-L1240 HydrophobicContact CG2-CG 4.4Å; H1127-L1240 HydrophobicContact CB-CD1 4Å; Y1236-L1240 WeakPolarHBondContact O-CB 3.25Å; Y1236-L1240 PolarHBondContact O-N 2.74Å; S1237-L1240 WeakPolarHBondContact O-CB 3.31Å; S1237-L1240 PolarHBondContact O-N 3.47Å; L1240-S1242 PolarHBondContact O-N 2.81Å; L1240-L1243 PolarHBondContact O-N 3.08Å; L1240-L1243 VanDerWaalsContact O-N 3.12Å; L1240-I1244 HydrophobicContact CD1-CD1 4.06Å; L1240-I1244 HydrophobicContact CD1-CG1 4.32Å; L1240-I1244 HydrophobicContact CD2-CD1 4.41Å; L1240-I1244 HydrophobicContact CG-CD1 3.82Å; L1240-I1244 HydrophobicContact CG-CG1 4.42Å; L1240-I1244 WeakPolarHBondContact O-CG1 3.42Å; L1240-I1244 PolarHBondContact O-N 3.04Å
1241S88.5Confident89.2Confident37 Ų3754.1 Ų54.126%0.25933%0.329SS..Hα-helixtrans-56.2-40174-51.80000111.8Y904 S1237 S1238 H1239 N1245Y904-S1241 WeakPolarHBondContact CE1-OG 3.39Å; S1237-S1241 PolarHBondContact O-N 3.16Å; S1237-S1241 PolarHBondContact O-OG 3.09Å; S1237-S1241 VanDerWaalsContact O-OG 3.14Å; S1238-S1241 PolarHBondContact O-N 2.88Å; H1239-S1241 PolarHBondContact O-N 3.18Å; S1241-N1245 WeakPolarHBondContact O-CB 3.02Å; S1241-N1245 PolarHBondContact O-N 2.72Å; S1241-N1245 PolarHBondContact O-ND2 3.33Å
1242S90.8Very high89Confident52 Ų5255.9 Ų55.936%0.36434%0.34SS..Hα-helixtrans-66.4-44.5175.4-1680000112.1S1238 H1239 L1240 I1244 N1245 G1246 H1247S1238-S1242 PolarHBondContact O-N 2.76Å; S1238-S1242 VanDerWaalsContact O-N 3.17Å; H1239-S1242 WeakPolarHBondContact O-CA 3.39Å; H1239-S1242 WeakPolarHBondContact O-CB 3.29Å; H1239-S1242 PolarHBondContact O-N 2.88Å; H1239-S1242 VanDerWaalsContact O-N 3.09Å; L1240-S1242 PolarHBondContact O-N 2.81Å; S1242-I1244 PolarHBondContact O-N 3.4Å; S1242-N1245 CarbonylContact O-C 3.58Å; S1242-N1245 PolarHBondContact O-N 3.43Å; S1242-G1246 PolarHBondContact O-N 2.76Å; S1242-H1247 WeakPolarHBondContact O-CB 3.35Å; S1242-H1247 PolarHBondContact O-N 3.21Å
1243L93Very high88.7Confident1 Ų155.4 Ų55.41%0.00534%0.34CS..Hα-helixtrans-61.2-41177-68.5177.8000112.7V1124 W1128 H1239 L1240 H1247 S1250V1124-L1243 HydrophobicContact CG1-CD1 3.9Å; V1124-L1243 HydrophobicContact CG2-CD1 4.28Å; W1128-L1243 HydrophobicContact CH2-CD2 4.04Å; W1128-L1243 HydrophobicContact CZ2-CD1 3.94Å; W1128-L1243 HydrophobicContact CZ2-CD2 3.65Å; W1128-L1243 HydrophobicContact CZ2-CG 4.49Å; H1239-L1243 WeakPolarHBondContact O-CG 3.45Å; H1239-L1243 PolarHBondContact O-N 2.78Å; L1240-L1243 PolarHBondContact O-N 3.08Å; L1240-L1243 VanDerWaalsContact O-N 3.12Å; L1243-H1247 HydrophobicContact CD2-CB 4.17Å; L1243-S1250 WeakPolarHBondContact O-CB 3.36Å; L1243-S1250 PolarHBondContact O-OG 3.23Å
1244I88.5Confident88.3Confident91 Ų9155.5 Ų55.547%0.46733%0.331SS..Hα-helixtrans-70.1-43176.3-66.5171.9000110.5L1240 S1242 G1246L1240-I1244 HydrophobicContact CD1-CD1 4.06Å; L1240-I1244 HydrophobicContact CD1-CG1 4.32Å; L1240-I1244 HydrophobicContact CD2-CD1 4.41Å; L1240-I1244 HydrophobicContact CG-CD1 3.82Å; L1240-I1244 HydrophobicContact CG-CG1 4.42Å; L1240-I1244 WeakPolarHBondContact O-CG1 3.42Å; L1240-I1244 PolarHBondContact O-N 3.04Å; S1242-I1244 PolarHBondContact O-N 3.4Å; I1244-G1246 PolarHBondContact O-N 3.39Å; I1244-G1246 VanDerWaalsContact O-N 3.07Å
1245N87.7Confident87.2Confident134 Ų13451.3 Ų51.372%0.71732%0.322SS*.THydrogen-bonded Turntrans-81.925.9-178.1-62.5-16.9000114.1S1241 S1242S1241-N1245 WeakPolarHBondContact O-CB 3.02Å; S1241-N1245 PolarHBondContact O-N 2.72Å; S1241-N1245 PolarHBondContact O-ND2 3.33Å; S1242-N1245 CarbonylContact O-C 3.58Å; S1242-N1245 PolarHBondContact O-N 3.43Å
1246G83Confident85.5Confident54 Ų5453.9 Ų53.956%0.55734%0.335SS*.THydrogen-bonded Turntrans89.625.6167.300000116.7S1242 I1244 T1248S1242-G1246 PolarHBondContact O-N 2.76Å; I1244-G1246 PolarHBondContact O-N 3.39Å; I1244-G1246 VanDerWaalsContact O-N 3.07Å; G1246-T1248 PolarHBondContact O-N 3.18Å
1247H87.8Confident83.8Confident47 Ų4754 Ų5422%0.21834%0.336CS..  trans-50.1136167.9-180-82.4000111.4S1242 L1243 L1249 S1250S1242-H1247 WeakPolarHBondContact O-CB 3.35Å; S1242-H1247 PolarHBondContact O-N 3.21Å; L1243-H1247 HydrophobicContact CD2-CB 4.17Å; H1247-L1249 VanDerWaalsContact C-N 3.28Å; H1247-L1249 PolarHBondContact ND1-N 3.42Å; H1247-L1249 PolarHBondContact O-N 3.01Å; H1247-L1249 VanDerWaalsContact O-N 3.07Å; H1247-S1250 WeakPolarHBondContact O-CA 3.48Å; H1247-S1250 WeakPolarHBondContact O-CB 3.36Å; H1247-S1250 PolarHBondContact O-N 2.95Å
1248T88.3Confident81.9Confident125 Ų12554.1 Ų54.177%0.76734%0.336SS*.THydrogen-bonded Turntrans-58.6-29.9-167.255.30000115.8G1246 S1250G1246-T1248 PolarHBondContact O-N 3.18Å; T1248-S1250 VanDerWaalsContact C-N 3.29Å
1249L91.8Very high79.4Confident17 Ų1756.4 Ų56.49%0.08935%0.348CS..THydrogen-bonded Turntrans-78.9-7.8174.5-60.4-177000114W1128 H1193 Q1213 N1214 F1216 H1247 R1251W1128-L1249 HydrophobicContact CH2-CB 4.24Å; W1128-L1249 VanDerWaalsContact CH2-O 3.3Å; W1128-L1249 WeakPolarHBondContact CH2-O 3.45Å; W1128-L1249 VanDerWaalsContact CZ3-O 3.29Å; W1128-L1249 WeakPolarHBondContact CZ3-O 3.38Å; H1193-L1249 PolarHBondContact CE1-O 3.02Å; H1193-L1249 PolarHBondContact NE2-O 3.48Å; Q1213-L1249 WeakPolarHBondContact O-CD1 3.42Å; N1214-L1249 HydrophobicContact CB-CD1 4.34Å; F1216-L1249 HydrophobicContact CE2-CD1 4.28Å; F1216-L1249 HydrophobicContact CZ-CD1 4.05Å; H1247-L1249 VanDerWaalsContact C-N 3.28Å; H1247-L1249 PolarHBondContact ND1-N 3.42Å; H1247-L1249 PolarHBondContact O-N 3.01Å; H1247-L1249 VanDerWaalsContact O-N 3.07Å; L1249-R1251 PolarHBondContact O-N 3.16Å
1250S92Very high76.8Confident28 Ų2857.3 Ų57.320%0.19636%0.358CS..  trans-87.478.1-176.2-163.40000110.9H1127 L1243 H1247 T1248H1127-S1250 PolarHBondContact CE1-OG 2.89Å; H1127-S1250 PolarHBondContact NE2-OG 3Å; L1243-S1250 WeakPolarHBondContact O-CB 3.36Å; L1243-S1250 PolarHBondContact O-OG 3.23Å; H1247-S1250 WeakPolarHBondContact O-CA 3.48Å; H1247-S1250 WeakPolarHBondContact O-CB 3.36Å; H1247-S1250 PolarHBondContact O-N 2.95Å; T1248-S1250 VanDerWaalsContact C-N 3.29Å
1251R92.9Very high74.4Confident73 Ų7356.3 Ų56.328%0.27535%0.353SS..  trans-131.6160.2-179.860.3163.3-177.979.84110.7E1094 Y1133 H1193 L1249E1094-R1251 IonicContact OE1-CZ 2.63Å; E1094-R1251 IonicContact OE1-NH1 3.38Å; E1094-R1251 IonicContact OE1-NH2 3.02Å; E1094-R1251 PolarHBondContact OE1-NH2 3.25Å; E1094-R1251 IonicContact OE2-CZ 3.61Å; E1094-R1251 IonicContact OE2-NH1 2.79Å; E1094-R1251 PolarHBondContact OE2-NH1 3.17Å; E1094-R1251 IonicContact OE2-NH2 2.71Å; E1094-R1251 PolarHBondContact OE2-NH2 3.33Å; Y1133-R1251 VanDerWaalsContact CE2-O 3.25Å; Y1133-R1251 WeakPolarHBondContact CE2-O 3.38Å; Y1133-R1251 PolarHBondContact OH-NH1 3.36Å; Y1133-R1251 PolarHBondContact OH-O 3.08Å; H1193-R1251 PolarHBondContact ND1-NH2 3.38Å; H1193-R1251 VanDerWaalsContact ND1-NH2 3.12Å; L1249-R1251 PolarHBondContact O-N 3.16Å
1252P87.7Confident71.8Confident90 Ų9061.1 Ų61.158%0.58437%0.365SS*.  trans-56.7148.5168.9-24.935.3000112.7L1131L1131-P1252 WeakPolarHBondContact O-CA 3.25Å
1253A85.8Confident68.9Low14 Ų1463.3 Ų63.312%0.11638%0.38CS..  trans-71.7144.2172.100000111.5E1094 L1131 G1132 Y1133E1094-A1253 HydrophobicContact CB-CB 4.39Å; E1094-A1253 WeakPolarHBondContact OE2-CA 3.47Å; L1131-A1253 PolarHBondContact O-N 3.24Å; G1132-A1253 VanDerWaalsContact C-CB 3.49Å; G1132-A1253 WeakPolarHBondContact O-CB 3.26Å; Y1133-A1253 HydrophobicContact CD1-CB 3.83Å; Y1133-A1253 HydrophobicContact CD2-CB 3.97Å; Y1133-A1253 HydrophobicContact CE1-CB 3.92Å; Y1133-A1253 HydrophobicContact CE2-CB 4.07Å; Y1133-A1253 HydrophobicContact CG-CB 3.85Å
1254I74.9Confident65.9Low107 Ų10766 Ų6655%0.54940%0.398SS..  trans-101.2108.1-177.5-61.8168.6000109.2E1094E1094-I1254 PolarHBondContact OE2-N 3.19Å
1255G61.5Low62.9Low39 Ų3965.8 Ų65.840%0.40240%0.402SS..SBendtrans147.416017500000114M1257 S1258G1255-M1257 VanDerWaalsContact C-N 3.26Å; G1255-M1257 PolarHBondContact O-N 2.54Å; G1255-S1258 WeakPolarHBondContact O-CB 3.24Å; G1255-S1258 PolarHBondContact O-N 3.02Å; G1255-S1258 VanDerWaalsContact O-N 3.16Å; G1255-S1258 PolarHBondContact O-OG 2.94Å
1256S49.8Very low60.1Low89 Ų8964.7 Ų64.762%0.62239%0.391SS*.THydrogen-bonded Turntrans-59.9-29.8-172.5-49.30000114.5S1258 V1259S1256-S1258 PolarHBondContact O-N 3.09Å; S1256-S1258 VanDerWaalsContact O-N 3.14Å; S1256-V1259 PolarHBondContact O-N 3.32Å
1257M55.8Low57.4Low7 Ų768.5 Ų68.53%0.03440%0.399CS..Hα-helixtrans-62.2-18.3178.3-82.7-67.2-69.900114.1L1067 V1089 T1093 G1255 V1259 A1260 V1261L1067-M1257 HydrophobicContact CD2-CE 3.97Å; L1067-M1257 HydrophobicContact CG-CE 4.17Å; V1089-M1257 HydrophobicContact CB-CG 4.22Å; V1089-M1257 HydrophobicContact CG1-CE 4Å; V1089-M1257 HydrophobicContact CG1-CG 4.05Å; V1089-M1257 HydrophobicContact CG1-SD 4.28Å; T1093-M1257 HydrophobicContact CG2-CB 4.26Å; T1093-M1257 HydrophobicContact CG2-CG 4.42Å; G1255-M1257 VanDerWaalsContact C-N 3.26Å; G1255-M1257 PolarHBondContact O-N 2.54Å; M1257-V1259 PolarHBondContact O-N 3.32Å; M1257-V1259 VanDerWaalsContact O-N 3.1Å; M1257-A1260 HydrophobicContact CE-CB 4.32Å; M1257-A1260 PolarHBondContact O-N 3.26Å; M1257-A1260 HydrophobicContact SD-CB 3.81Å; M1257-V1261 HydrophobicContact CE-CG2 4.11Å; M1257-V1261 WeakPolarHBondContact O-CG2 2.73Å; M1257-V1261 PolarHBondContact O-N 3.26Å
1258S45.9Very low54.5Low35 Ų3570.3 Ų70.325%0.24541%0.41CS..Hα-helixtrans-57.5-22.9175.658.30000113.9G1255 S1256G1255-S1258 WeakPolarHBondContact O-CB 3.24Å; G1255-S1258 PolarHBondContact O-N 3.02Å; G1255-S1258 VanDerWaalsContact O-N 3.16Å; G1255-S1258 PolarHBondContact O-OG 2.94Å; S1256-S1258 PolarHBondContact O-N 3.09Å; S1256-S1258 VanDerWaalsContact O-N 3.14Å
1259V36.2Very low51.5Low104 Ų10469.7 Ų69.763%0.6341%0.407SS*.Hα-helixtrans-86.2-42.3172.5-176.50000111.4S1256 M1257 R1262S1256-V1259 PolarHBondContact O-N 3.32Å; M1257-V1259 PolarHBondContact O-N 3.32Å; M1257-V1259 VanDerWaalsContact O-N 3.1Å; V1259-R1262 PolarHBondContact O-N 2.86Å
1260A38.8Very low48.4Very low34 Ų3473.1 Ų73.128%0.28143%0.433SS..Hα-helixtrans-66.5-39.4-176.300000113.3M1257 R1262 C1263M1257-A1260 HydrophobicContact CE-CB 4.32Å; M1257-A1260 PolarHBondContact O-N 3.26Å; M1257-A1260 HydrophobicContact SD-CB 3.81Å; A1260-R1262 PolarHBondContact O-N 2.68Å; A1260-R1262 VanDerWaalsContact O-N 3.09Å; A1260-C1263 PolarHBondContact O-N 2.62Å
1261V41.3Very low45.4Very low5 Ų577 Ų773%0.0346%0.455CS..G310 helixtrans-61.8-18.8179.3174.10000112.7Q1129 M1257 C1263Q1129-V1261 HydrophobicContact CG-CG1 3.95Å; M1257-V1261 HydrophobicContact CE-CG2 4.11Å; M1257-V1261 WeakPolarHBondContact O-CG2 2.73Å; M1257-V1261 PolarHBondContact O-N 3.26Å; V1261-C1263 VanDerWaalsContact C-N 3.33Å; V1261-C1263 PolarHBondContact O-N 3.37Å
1262R33.6Very low42.1Very low137 Ų13780.5 Ų80.552%0.51747%0.47SS..G310 helixtrans-82-3.6179.7-64.9179.9167.3-159.4-6.9114.4G1130 V1259 A1260 F1291G1130-R1262 PolarHBondContact O-NH2 3.49Å; V1259-R1262 PolarHBondContact O-N 2.86Å; A1260-R1262 PolarHBondContact O-N 2.68Å; A1260-R1262 VanDerWaalsContact O-N 3.09Å; R1262-F1291 HydrophobicContact CG-CZ 4.45Å
1263C30.6Very low39.3Very low99 Ų9980.9 Ų80.967%0.66947%0.472SS*.G310 helixtrans-113.92.8-167.4-690000116A1260 V1261 P1265A1260-C1263 PolarHBondContact O-N 2.62Å; V1261-C1263 VanDerWaalsContact C-N 3.33Å; V1261-C1263 PolarHBondContact O-N 3.37Å; C1263-P1265 WeakPolarHBondContact O-CD 3.31Å
1264C29.6Very low36.4Very low57 Ų5785.8 Ų85.839%0.38551%0.506SS..  trans-102.8110.8177.2-64.40000111.3
1265P26.8Very low34Very low86 Ų8685.1 Ų85.156%0.55851%0.511SS*.  trans-63.6149.3163.2-15.130000110.3C1263 D1267C1263-P1265 WeakPolarHBondContact O-CD 3.31Å; P1265-D1267 PolarHBondContact O-N 3.45Å; P1265-D1267 VanDerWaalsContact O-N 3.1Å
1266F27.2Very low32.2Very low112 Ų11289.6 Ų89.649%0.49153%0.533SS..  trans-79.280.2156.9-117.4-58.4000107.9F1158 F1160 L1268F1158-F1266 WeakPolarHBondContact O-CE2 3.36Å; F1160-F1266 HydrophobicContact CB-CD2 4.41Å; F1160-F1266 HydrophobicContact CB-CE2 4.16Å; F1266-L1268 PolarHBondContact O-N 3.03Å
1267D27.6Very low31Very low133 Ų13392 Ų9271%0.71154%0.538SS*.  trans-61.1120.2151.4-79.2-44.2000106.4P1265P1265-D1267 PolarHBondContact O-N 3.45Å; P1265-D1267 VanDerWaalsContact O-N 3.1Å
1268L27.3Very low29.7Very low86 Ų86100.1 Ų100.145%0.4558%0.58SS.*  trans-60.4158.6172.3-70.6104.9000109.2F1266 S1270F1266-L1268 PolarHBondContact O-N 3.03Å; L1268-S1270 PolarHBondContact O-N 3.43Å
1269P25.1Very low28.6Very low111 Ų111106.9 Ų106.972%0.72161%0.61SS**  trans-64.880158.529.7-34.1000108.7
1270S25.8Very low28.1Very low90 Ų90109.9 Ų109.963%0.62962%0.617SS**  trans-82.3132.4179.450.50000109.5L1268L1268-S1270 PolarHBondContact O-N 3.43Å
1271V28.7Very low27.6Very low109 Ų109112.7 Ų112.766%0.66164%0.635SS**  trans59.2105.3162.1-176.90000115.3P1273V1271-P1273 HydrophobicContact CG1-CB 3.96Å; V1271-P1273 WeakPolarHBondContact O-CD 3.27Å
1272Y25Very low26.8Very low146 Ų146118.8 Ų118.857%0.57367%0.667SS**  trans-71.3118.6141.1-75.8-54000107.7D1079 S1274D1079-Y1272 WeakPolarHBondContact O-CE1 3.45Å; D1079-Y1272 PolarHBondContact O-OH 3.08Å; Y1272-S1274 PolarHBondContact O-N 2.91Å
1273P27.5Very low26.5Very low99 Ų99118.4 Ų118.464%0.64368%0.675SS**  trans-89.684.3-176.834-31.4000110.3V1271 S1275V1271-P1273 HydrophobicContact CG1-CB 3.96Å; V1271-P1273 WeakPolarHBondContact O-CD 3.27Å; P1273-S1275 PolarHBondContact O-N 3.37Å
1274S24.9Very low26.2Very low117 Ų117116.9 Ų116.982%0.81866%0.659SS**  trans-73.751.5169.245.70000112.2Y1272Y1272-S1274 PolarHBondContact O-N 2.91Å
1275S25.8Very low26Very low93 Ų93121.4 Ų121.465%0.6567%0.668SS**SBendtrans-166.6113.5171.8-770000110P1273 L1277P1273-S1275 PolarHBondContact O-N 3.37Å; S1275-L1277 VanDerWaalsContact C-N 3.3Å; S1275-L1277 PolarHBondContact O-N 2.92Å
1276P23.5Very low25.9Very low133 Ų133122.5 Ų122.586%0.86467%0.666SS**  trans-86.549.4-169.835.9-37.8000114
1277L24.9Very low25.9Very low140 Ų140119.4 Ų119.473%0.73366%0.655SS**  trans-138.668.5179-73.7178.9000113.1S1275S1275-L1277 VanDerWaalsContact C-N 3.3Å; S1275-L1277 PolarHBondContact O-N 2.92Å
1278L27.3Very low25.8Very low176 Ų176116.9 Ų116.992%0.92165%0.647SS**  trans-174.769.7149.2-104.8163.4000110.8
1279M23.7Very low25.8Very low177 Ų177119 Ų11987%0.87265%0.653SS**  trans-86.5160.8159.8-170.6158.7167.900108.7
1280E25Very low26Very low167 Ų167120.8 Ų120.878%0.7865%0.649SS**  trans74.465.4177.1-50.2-163.3145.400118.9
1281S27.9Very low26.1Very low93 Ų93121.6 Ų121.665%0.6564%0.642SS**  trans-164.175.1131.468.10000113.6
1282N25.8Very low26.1Very low133 Ų133119.6 Ų119.671%0.71163%0.633SS**  trans-69.8140153.7-79.4-61.3000108.5
1283L25.7Very low26.3Very low130 Ų130117.8 Ų117.868%0.68164%0.639SS**  trans171.1133.3131.9-93.1164000113.7
1284L26.1Very low26.5Very low66 Ų66120.6 Ų120.635%0.34664%0.643SS.*  trans76.395.9147.7-57.2166000121.7
1285R24.6Very low26.8Very low152 Ų152120.1 Ų120.157%0.57463%0.631SS**  75.5130113.6-77.2176.9-176160.3-2.5122.8E785E785-R1285 WeakPolarHBondContact OE1-CB 3.36Å; E785-R1285 VanDerWaalsContact OE1-CD 3.25Å; E785-R1285 WeakPolarHBondContact OE1-CD 3.33Å; E785-R1285 VanDerWaalsContact OE2-CD 3.3Å; E785-R1285 WeakPolarHBondContact OE2-CD 3.47Å; E785-R1285 IonicContact OE2-CZ 3.07Å; E785-R1285 IonicContact OE2-NH1 2.67Å; E785-R1285 PolarHBondContact OE2-NH1 3.42Å
1286H24.9Very low27Very low110 Ų110119.7 Ų119.751%0.50963%0.628SS.*  trans60.3113.7143-62.4-65.2000118.3Q782 E785Q782-H1286 CarbonylContact C-O 3.52Å; Q782-H1286 WeakPolarHBondContact CA-O 3.4Å; Q782-H1286 CarbonylContact O-C 3.58Å; E785-H1286 IonicContact OE1-CD2 3.22Å
1287N27Very low27.2Very low47 Ų47120.4 Ų120.425%0.25162%0.62SS.*  -166142.492.3-92.4-41.4000115.3I781 Q782 K830I781-N1287 HydrophobicContact CG2-CB 4.39Å; I781-N1287 WeakPolarHBondContact CG2-ND2 3.48Å; I781-N1287 PolarHBondContact O-ND2 2.87Å; Q782-N1287 HydrophobicContact CB-CB 4.39Å; Q782-N1287 HydrophobicContact CG-CB 3.74Å; Q782-N1287 PolarHBondContact NE2-O 3.47Å; K830-N1287 WeakPolarHBondContact CD-ND2 3.28Å
1288S26.5Very low27.4Very low79 Ų79123.5 Ų123.555%0.55262%0.622SS**  trans13.3110.6151.8610000118.3K1290S1288-K1290 PolarHBondContact O-N 3.31Å
1289F26.6Very low27.5Very low130 Ų130122.5 Ų122.557%0.5762%0.617SS**PPolyproline II helixtrans-65.7117.7141.8-87.7-77.3000108.6Q772 F1291Q772-F1289 HydrophobicContact CG-CE1 3.87Å; Q772-F1289 HydrophobicContact CG-CZ 3.94Å; F1289-F1291 PolarHBondContact O-N 3.16Å
1290K28.2Very low27.7Very low149 Ų149121.6 Ų121.665%0.64861%0.614SS**PPolyproline II helixtrans-69.1126.7171.9-72.1172.7-177.8155.50108.6E778 S1288E778-K1290 IonicContact OE2-NZ 2.7Å; E778-K1290 PolarHBondContact OE2-NZ 2.89Å; S1288-K1290 PolarHBondContact O-N 3.31Å
1291F28.9Very low27.9Very low107 Ų107119.8 Ų119.847%0.46961%0.609SS.*PPolyproline II helixtrans-62.1155.1165.7-78.1-103.6000109.9R1262 F1289R1262-F1291 HydrophobicContact CG-CZ 4.45Å; F1289-F1291 PolarHBondContact O-N 3.16Å
1292S29.5Very low28Very low68 Ų68122.5 Ų122.548%0.47662%0.616SS.*PPolyproline II helixtrans-63.1147.6166.261.20000110Q1294S1292-Q1294 PolarHBondContact O-N 3.28Å
1293P27.9Very low28.2Very low108 Ų108124.4 Ų124.470%0.70163%0.626SS**G310 helixtrans-60.4-23.3-173.9-26.435.7000115L1295 S1296P1293-L1295 PolarHBondContact O-N 3.01Å; P1293-L1295 VanDerWaalsContact O-N 3.14Å; P1293-S1296 PolarHBondContact O-N 3Å; P1293-S1296 VanDerWaalsContact O-N 3.16Å
1294Q31.3Very low28.4Very low157 Ų157127.2 Ų127.273%0.73464%0.636SS**G310 helixtrans-68.4-12.6-169-68.3170.1-22.600114.9S1292S1292-Q1294 PolarHBondContact O-N 3.28Å
1295L31.9Very low28.7Very low107 Ų107131.5 Ų131.556%0.5666%0.658SS**G310 helixtrans-97.1-4.2176.4-103.7158.7000114.4P1293P1293-L1295 PolarHBondContact O-N 3.01Å; P1293-L1295 VanDerWaalsContact O-N 3.14Å
1296S29.9Very low29.1Very low84 Ų84131 Ų13159%0.58767%0.667SS**THydrogen-bonded Turntrans-95.7-17.6176.4-64.80000114P1293P1293-S1296 PolarHBondContact O-N 3Å; P1293-S1296 VanDerWaalsContact O-N 3.16Å
1297Q28.8Very low29.3Very low149 Ų149134.9 Ų134.970%0.69669%0.685SS**THydrogen-bonded Turntrans-86.5-2.3180-91.8173.6-36.800115.1
1298R28.8Very low29.5Very low205 Ų205139.5 Ų139.577%0.77471%0.709SS**THydrogen-bonded Turntrans-101.214.3176-88.2-174.2171.3173.7-0114.9
1299L29.1Very low29.8Very low154 Ų154141.7 Ų141.781%0.80672%0.72SS**SBendtrans-12619173.8-73.9169.7000112.8
1300L27.5Very low30Very low158 Ų158147.4 Ų147.483%0.82776%0.755SS**SBendtrans-129.935.8175.9-74171.2000111.4
1301I28.7Very low30.1Very low130 Ų130147.4 Ų147.467%0.66776%0.76SS**SBendtrans-139.7132169-53.6178.3000105.6
1302N30.5Very low30.2Very low149 Ų149149.5 Ų149.580%0.79778%0.776SS**SBendtrans84.169.1-164.8-50.5-23000115
1303D29.9Very low30.2Very low173 Ų173154 Ų15493%0.92579%0.792SS**  trans-158.149.7144.8-101.3-22000109.9
1304E29.4Very low30.3Very low190 Ų190156.7 Ų156.789%0.88880%0.798SS**  trans-88.6100.9156.7-75.9-169.2139.700108.1
1305I32.4Very low30.3Very low156 Ų156156.7 Ų156.780%0.880%0.802SS**  trans-168138154-101.9148.3000109.7
1306D33.2Very low30.2Very low142 Ų142160 Ų16076%0.75982%0.818SS**  trans4689.3166.7-63.3-17.5000119.9N1308D1306-N1308 PolarHBondContact O-N 3.03Å; D1306-N1308 VanDerWaalsContact O-N 3.15Å
1307Q28.9Very low30.2Very low191 Ų191165.4 Ų165.489%0.89383%0.834SS**  trans-62101.6141.7-68.7179.6-11.900110.1
1308N30.9Very low30.3Very low143 Ų143166.7 Ų166.777%0.76585%0.845SS**  trans-167.6145.9152.4-100.7-50.3000113.2D1306D1306-N1308 PolarHBondContact O-N 3.03Å; D1306-N1308 VanDerWaalsContact O-N 3.15Å
1309T33.3Very low30.4Very low126 Ų126163.5 Ų163.577%0.77385%0.851SS**  trans5184.6163.649.30000119.1
1310L31.5Very low30.6Very low250 Ų250164.4 Ų164.4100%1.30986%0.855SS**  176.70109.1-97.7160.8000113.2

Retrieved 1,310 of 1,310 residues in 401.8 ms (Link to these results)

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