| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 57 | Low | 87.1 | Confident | 85 Ų | 85 | 25.9 Ų | 25.9 | 42% | 0.419 | 14% | 0.137 | S | C | . | . | 0 | 132.1 | 0 | -66.5 | -175.8 | -98.3 | 0 | 0 | 107.2 | C266 L639 | M1-C266 WeakPolarHBondContact CB-SG 3.44Å; M1-L639 HydrophobicContact CE-CD2 4.35Å | |||
| 2 | S | 74 | Confident | 87.8 | Confident | 11 Ų | 11 | 23.8 Ų | 23.8 | 8% | 0.077 | 13% | 0.126 | C | C | . | . | trans | -164.7 | 179.2 | -175.3 | 58.9 | 0 | 0 | 0 | 0 | 110.6 | K4 Q265 | S2-K4 PolarHBondContact O-N 2.83Å; S2-K4 VanDerWaalsContact O-N 3.15Å; S2-Q265 WeakPolarHBondContact O-CB 3.45Å; S2-Q265 PolarHBondContact O-N 2.78Å; S2-Q265 VanDerWaalsContact O-N 3.13Å | ||
| 3 | S | 85.5 | Confident | 88.3 | Confident | 25 Ų | 25 | 24 Ų | 24 | 18% | 0.175 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 112.1 | 164.8 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | T206 K262 L263 | S3-T206 WeakPolarHBondContact CB-OG1 3.49Å; S3-T206 PolarHBondContact OG-OG1 3.25Å; S3-K262 WeakPolarHBondContact OG-CB 3.47Å; S3-K262 WeakPolarHBondContact OG-CD 3.5Å; S3-L263 CarbonylContact C-O 3.48Å; S3-L263 WeakPolarHBondContact CA-O 3.5Å |
| 4 | K | 86.2 | Confident | 88.7 | Confident | 80 Ų | 80 | 22.4 Ų | 22.4 | 35% | 0.348 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 143.2 | -178.5 | -76.3 | -168.3 | 176.2 | 175.2 | 0 | 112.1 | S2 K262 L263 Q265 F286 | S2-K4 PolarHBondContact O-N 2.83Å; S2-K4 VanDerWaalsContact O-N 3.15Å; K4-K262 CarbonylContact O-C 3.53Å; K4-K262 WeakPolarHBondContact O-CA 3.4Å; K4-K262 WeakPolarHBondContact O-CB 3.49Å; K4-L263 PolarHBondContact N-O 3.33Å; K4-L263 PolarHBondContact O-N 2.84Å; K4-Q265 HydrophobicContact CD-CB 4.44Å; K4-Q265 VanDerWaalsContact CD-OE1 3.26Å; K4-F286 HydrophobicContact CB-CB 4.3Å; K4-F286 HydrophobicContact CB-CD1 3.49Å; K4-F286 VanDerWaalsContact CB-CD1 3.49Å; K4-F286 HydrophobicContact CB-CE1 4.08Å; K4-F286 HydrophobicContact CB-CG 4.12Å; K4-F286 HydrophobicContact CD-CB 3.89Å; K4-F286 HydrophobicContact CD-CD1 4.31Å; K4-F286 HydrophobicContact CD-CG 4.09Å |
| 5 | A | 89.3 | Confident | 89 | Confident | 29 Ų | 29 | 20.9 Ų | 20.9 | 24% | 0.24 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 151.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L58 A261 K262 | A5-L58 HydrophobicContact CB-CD1 3.7Å; A5-L58 HydrophobicContact CB-CD2 4.21Å; A5-A261 WeakPolarHBondContact CA-O 3.48Å; A5-K262 HydrophobicContact CB-CG 4.3Å |
| 6 | V | 92.9 | Very high | 89.3 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.012 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 157.8 | 174.2 | -66.1 | 0 | 0 | 0 | 0 | 111 | A11 L58 A261 L263 L284 F286 | V6-A11 HydrophobicContact CG2-CB 4.03Å; V6-L58 VanDerWaalsContact O-CD2 3.27Å; V6-L58 WeakPolarHBondContact O-CD2 3.3Å; V6-A261 HydrophobicContact CG2-CB 3.98Å; V6-A261 PolarHBondContact N-O 2.98Å; V6-L263 HydrophobicContact CB-CD1 4.22Å; V6-L263 HydrophobicContact CG1-CD1 3.66Å; V6-L263 HydrophobicContact CG2-CD1 3.5Å; V6-L284 HydrophobicContact CB-CD1 4.45Å; V6-L284 HydrophobicContact CG1-CD1 4.01Å; V6-L284 HydrophobicContact CG1-CD2 3.98Å; V6-L284 HydrophobicContact CG1-CG 4.1Å; V6-F286 HydrophobicContact CG1-CD1 3.8Å; V6-F286 HydrophobicContact CG1-CE1 3.88Å |
| 7 | Y | 93.9 | Very high | 89.4 | Confident | 27 Ų | 27 | 25.7 Ų | 25.7 | 11% | 0.106 | 14% | 0.136 | C | C | . | . | trans | -56.4 | 149.6 | 171.6 | -66.3 | -62.8 | 0 | 0 | 0 | 111.3 | E9 S10 A11 D56 E285 P287 | Y7-E9 VanDerWaalsContact C-N 3.32Å; Y7-E9 PolarHBondContact O-N 3.42Å; Y7-S10 PolarHBondContact O-N 2.85Å; Y7-A11 PolarHBondContact O-N 3.29Å; Y7-D56 WeakPolarHBondContact CD1-O 3.45Å; Y7-D56 WeakPolarHBondContact CE1-O 3.49Å; Y7-E285 HydrophobicContact CE2-CG 4.38Å; Y7-E285 PolarHBondContact OH-OE1 2.79Å; Y7-P287 HydrophobicContact CD1-CB 4.27Å; Y7-P287 HydrophobicContact CD1-CG 3.84Å; Y7-P287 HydrophobicContact CD2-CB 4.45Å; Y7-P287 HydrophobicContact CD2-CG 3.9Å; Y7-P287 HydrophobicContact CE1-CB 3.64Å; Y7-P287 HydrophobicContact CE1-CG 3.74Å; Y7-P287 HydrophobicContact CE2-CB 3.85Å; Y7-P287 HydrophobicContact CE2-CG 3.8Å; Y7-P287 HydrophobicContact CG-CG 3.93Å; Y7-P287 VanDerWaalsContact CZ-CB 3.41Å | ||
| 8 | E | 94.9 | Very high | 89.4 | Confident | 5 Ų | 5 | 25.9 Ų | 25.9 | 2% | 0.023 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.6 | -42.5 | 178.6 | 176.8 | 176.7 | 172.4 | 0 | 0 | 111.5 | S10 A11 K12 K54 D56 R62 L102 D258 V259 | E8-S10 VanDerWaalsContact C-N 3.3Å; E8-S10 PolarHBondContact O-N 2.91Å; E8-A11 PolarHBondContact O-N 3.47Å; E8-K12 HydrophobicContact CG-CD 4.18Å; E8-K12 HydrophobicContact CG-CG 4.42Å; E8-K12 WeakPolarHBondContact O-CB 3.5Å; E8-K12 WeakPolarHBondContact O-CG 3.47Å; E8-K12 PolarHBondContact O-N 3.41Å; E8-K12 WeakPolarHBondContact OE1-CE 3.42Å; E8-K12 IonicContact OE1-NZ 2.76Å; E8-K12 PolarHBondContact OE1-NZ 3.21Å; E8-K54 VanDerWaalsContact CD-NZ 3.26Å; E8-K54 VanDerWaalsContact OE1-CE 3.27Å; E8-K54 WeakPolarHBondContact OE1-CE 3.36Å; E8-K54 IonicContact OE1-NZ 2.81Å; E8-K54 PolarHBondContact OE1-NZ 2.86Å; E8-K54 WeakPolarHBondContact OE2-CE 3.41Å; E8-K54 IonicContact OE2-NZ 3.86Å; E8-K54 PolarHBondContact OE2-NZ 3.43Å; E8-K54 VanDerWaalsContact OE2-NZ 3.15Å; E8-D56 WeakPolarHBondContact CB-OD1 3.23Å; E8-D56 PolarHBondContact N-OD1 2.97Å; E8-R62 IonicContact OE2-CZ 3.1Å; E8-R62 IonicContact OE2-NH1 3.91Å; E8-R62 PolarHBondContact OE2-NH1 2.94Å; E8-R62 IonicContact OE2-NH2 3.03Å; E8-R62 PolarHBondContact OE2-NH2 3.14Å; E8-L102 HydrophobicContact CB-CD2 4.26Å; E8-L102 HydrophobicContact CG-CD2 3.96Å; E8-D258 WeakPolarHBondContact OE1-CA 3.14Å; E8-V259 HydrophobicContact CG-CB 4.18Å; E8-V259 WeakPolarHBondContact CG-O 3.44Å; E8-V259 PolarHBondContact OE1-N 3.4Å |
| 9 | E | 94.9 | Very high | 89.4 | Confident | 17 Ų | 17 | 24.7 Ų | 24.7 | 8% | 0.079 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.6 | -47.8 | 175.2 | 176.6 | -124.7 | -159.3 | 0 | 0 | 111.1 | Y7 A11 K12 L13 L29 V31 R100 L102 N280 | Y7-E9 VanDerWaalsContact C-N 3.32Å; Y7-E9 PolarHBondContact O-N 3.42Å; E9-A11 PolarHBondContact O-N 2.96Å; E9-K12 PolarHBondContact O-N 2.99Å; E9-L13 HydrophobicContact CG-CD1 3.85Å; E9-L13 HydrophobicContact CG-CG 4.48Å; E9-L13 WeakPolarHBondContact O-CB 3.46Å; E9-L13 WeakPolarHBondContact O-CG 3.02Å; E9-L13 PolarHBondContact O-N 3.25Å; E9-L29 HydrophobicContact CG-CD1 4.44Å; E9-V31 HydrophobicContact CB-CG2 3.94Å; E9-V31 HydrophobicContact CG-CG2 3.59Å; E9-R100 VanDerWaalsContact CB-NH2 3.29Å; E9-R100 IonicContact OE2-CZ 2.77Å; E9-R100 IonicContact OE2-NH1 3.33Å; E9-R100 IonicContact OE2-NH2 2.9Å; E9-R100 PolarHBondContact OE2-NH2 2.75Å; E9-L102 HydrophobicContact CB-CD1 4.05Å; E9-L102 HydrophobicContact CG-CD1 4.36Å; E9-N280 PolarHBondContact OE1-ND2 2.91Å |
| 10 | S | 94.7 | Very high | 89.3 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.028 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | -179.5 | -56 | 0 | 0 | 0 | 0 | 111 | Y7 E8 K12 L13 L14 | Y7-S10 PolarHBondContact O-N 2.85Å; E8-S10 VanDerWaalsContact C-N 3.3Å; E8-S10 PolarHBondContact O-N 2.91Å; S10-K12 PolarHBondContact O-N 3.36Å; S10-L13 PolarHBondContact O-N 3.24Å; S10-L14 WeakPolarHBondContact O-CB 3.41Å; S10-L14 VanDerWaalsContact O-CG 3.24Å; S10-L14 WeakPolarHBondContact O-CG 3.38Å; S10-L14 PolarHBondContact O-N 2.85Å |
| 11 | A | 95 | Very high | 89.2 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.8 | -45.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V6 Y7 E8 E9 L14 I15 V259 A261 | V6-A11 HydrophobicContact CG2-CB 4.03Å; Y7-A11 PolarHBondContact O-N 3.29Å; E8-A11 PolarHBondContact O-N 3.47Å; E9-A11 PolarHBondContact O-N 2.96Å; A11-L14 PolarHBondContact O-N 3.15Å; A11-I15 WeakPolarHBondContact O-CD1 3.27Å; A11-I15 VanDerWaalsContact O-CG1 3.27Å; A11-I15 WeakPolarHBondContact O-CG1 3.37Å; A11-I15 PolarHBondContact O-N 3.49Å; A11-V259 HydrophobicContact CB-CB 4.3Å; A11-V259 HydrophobicContact CB-CG1 3.61Å; A11-A261 HydrophobicContact CB-CB 3.73Å |
| 12 | K | 95.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 177.3 | -76 | -177.9 | 171.9 | 175.2 | 0 | 112 | E8 E9 S10 I15 Y16 L29 E104 I256 L257 V259 | E8-K12 HydrophobicContact CG-CD 4.18Å; E8-K12 HydrophobicContact CG-CG 4.42Å; E8-K12 WeakPolarHBondContact O-CB 3.5Å; E8-K12 WeakPolarHBondContact O-CG 3.47Å; E8-K12 PolarHBondContact O-N 3.41Å; E8-K12 WeakPolarHBondContact OE1-CE 3.42Å; E8-K12 IonicContact OE1-NZ 2.76Å; E8-K12 PolarHBondContact OE1-NZ 3.21Å; E9-K12 PolarHBondContact O-N 2.99Å; S10-K12 PolarHBondContact O-N 3.36Å; K12-I15 PolarHBondContact O-N 3.06Å; K12-Y16 HydrophobicContact CB-CD2 4.44Å; K12-Y16 HydrophobicContact CB-CE2 4.06Å; K12-Y16 WeakPolarHBondContact O-CB 3.34Å; K12-Y16 WeakPolarHBondContact O-CD2 3.46Å; K12-Y16 PolarHBondContact O-N 2.86Å; K12-L29 HydrophobicContact CB-CD1 3.63Å; K12-L29 HydrophobicContact CD-CD1 4.23Å; K12-L29 HydrophobicContact CD-CD2 4.03Å; K12-E104 IonicContact NZ-OE1 2.76Å; K12-E104 PolarHBondContact NZ-OE1 3.27Å; K12-E104 IonicContact NZ-OE2 2.72Å; K12-E104 PolarHBondContact NZ-OE2 3.49Å; K12-I256 WeakPolarHBondContact CE-O 3.31Å; K12-I256 HydrophobicContact CG-CG2 4.37Å; K12-I256 PolarHBondContact NZ-O 3.05Å; K12-L257 VanDerWaalsContact NZ-C 3.34Å; K12-L257 PolarHBondContact NZ-O 3.41Å; K12-V259 HydrophobicContact CD-CG2 4.37Å; K12-V259 HydrophobicContact CG-CB 4.22Å; K12-V259 HydrophobicContact CG-CG2 3.57Å |
| 13 | L | 94.3 | Very high | 91.5 | Very high | 27 Ų | 27 | 32 Ų | 32 | 14% | 0.141 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 178.3 | -72.3 | 173.1 | 0 | 0 | 0 | 112 | E9 S10 I15 Y16 N17 L29 V279 | E9-L13 HydrophobicContact CG-CD1 3.85Å; E9-L13 HydrophobicContact CG-CG 4.48Å; E9-L13 WeakPolarHBondContact O-CB 3.46Å; E9-L13 WeakPolarHBondContact O-CG 3.02Å; E9-L13 PolarHBondContact O-N 3.25Å; S10-L13 PolarHBondContact O-N 3.24Å; L13-I15 VanDerWaalsContact C-N 3.32Å; L13-I15 PolarHBondContact O-N 3.49Å; L13-Y16 PolarHBondContact O-N 2.91Å; L13-N17 VanDerWaalsContact O-CB 3.27Å; L13-N17 WeakPolarHBondContact O-CB 3.37Å; L13-N17 PolarHBondContact O-N 3.4Å; L13-N17 PolarHBondContact O-ND2 3.49Å; L13-L29 HydrophobicContact CD2-CD1 4.03Å; L13-L29 HydrophobicContact CG-CD1 3.93Å; L13-V279 HydrophobicContact CB-CG1 4.46Å; L13-V279 HydrophobicContact CD1-CG1 3.48Å; L13-V279 VanDerWaalsContact CD1-CG1 3.48Å |
| 14 | L | 93.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.8 | -44.1 | 174.7 | -70.9 | 174.1 | 0 | 0 | 0 | 111.7 | S10 A11 S18 L203 F205 L263 E276 L284 | S10-L14 WeakPolarHBondContact O-CB 3.41Å; S10-L14 VanDerWaalsContact O-CG 3.24Å; S10-L14 WeakPolarHBondContact O-CG 3.38Å; S10-L14 PolarHBondContact O-N 2.85Å; A11-L14 PolarHBondContact O-N 3.15Å; L14-S18 VanDerWaalsContact O-CB 3.28Å; L14-S18 WeakPolarHBondContact O-CB 3.18Å; L14-S18 PolarHBondContact O-N 3.18Å; L14-S18 PolarHBondContact O-OG 3.15Å; L14-L203 HydrophobicContact CB-CD1 4.09Å; L14-F205 HydrophobicContact CB-CZ 4.29Å; L14-F205 HydrophobicContact CD1-CZ 4.21Å; L14-L263 HydrophobicContact CD1-CD1 4.38Å; L14-L263 HydrophobicContact CD1-CD2 3.96Å; L14-E276 WeakPolarHBondContact CD2-O 3.45Å; L14-L284 HydrophobicContact CD1-CD1 4.21Å; L14-L284 HydrophobicContact CD1-CD2 4.28Å |
| 15 | I | 94 | Very high | 92 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.7 | -52.4 | 176.3 | -65.8 | 162.9 | 0 | 0 | 0 | 110.2 | A11 K12 L13 N17 S18 I19 L196 L208 I256 V259 | A11-I15 WeakPolarHBondContact O-CD1 3.27Å; A11-I15 VanDerWaalsContact O-CG1 3.27Å; A11-I15 WeakPolarHBondContact O-CG1 3.37Å; A11-I15 PolarHBondContact O-N 3.49Å; K12-I15 PolarHBondContact O-N 3.06Å; L13-I15 VanDerWaalsContact C-N 3.32Å; L13-I15 PolarHBondContact O-N 3.49Å; I15-N17 VanDerWaalsContact C-N 3.27Å; I15-N17 PolarHBondContact O-N 2.93Å; I15-S18 PolarHBondContact O-N 2.71Å; I15-S18 VanDerWaalsContact O-N 3.12Å; I15-I19 HydrophobicContact CG2-CB 4.44Å; I15-I19 HydrophobicContact CG2-CD1 4.47Å; I15-I19 HydrophobicContact CG2-CG2 4.18Å; I15-I19 VanDerWaalsContact O-CB 3.32Å; I15-I19 WeakPolarHBondContact O-CB 3.5Å; I15-I19 WeakPolarHBondContact O-CG2 3.31Å; I15-I19 PolarHBondContact O-N 3.19Å; I15-L196 HydrophobicContact CD1-CD1 4.33Å; I15-L196 HydrophobicContact CG1-CD1 4.23Å; I15-L196 HydrophobicContact CG2-CD1 3.84Å; I15-L208 HydrophobicContact CD1-CD1 3.87Å; I15-L208 HydrophobicContact CD1-CD2 4.27Å; I15-I256 HydrophobicContact CG2-CD1 3.93Å; I15-V259 HydrophobicContact CD1-CG1 4.42Å |
| 16 | Y | 93.5 | Very high | 92 | Very high | 9 Ų | 9 | 30 Ų | 30 | 4% | 0.035 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.4 | -34.8 | -177.8 | -66.8 | -20.8 | 0 | 0 | 0 | 113 | K12 L13 L24 K26 N27 L29 I256 | K12-Y16 HydrophobicContact CB-CD2 4.44Å; K12-Y16 HydrophobicContact CB-CE2 4.06Å; K12-Y16 WeakPolarHBondContact O-CB 3.34Å; K12-Y16 WeakPolarHBondContact O-CD2 3.46Å; K12-Y16 PolarHBondContact O-N 2.86Å; L13-Y16 PolarHBondContact O-N 2.91Å; Y16-L24 HydrophobicContact CD1-CD2 3.98Å; Y16-L24 HydrophobicContact CE1-CD2 4.25Å; Y16-K26 HydrophobicContact CD1-CB 4.4Å; Y16-K26 HydrophobicContact CD1-CG 4.08Å; Y16-K26 HydrophobicContact CG-CB 4.27Å; Y16-K26 HydrophobicContact CG-CG 4.19Å; Y16-K26 WeakPolarHBondContact O-CE 3.48Å; Y16-K26 PolarHBondContact O-NZ 3.49Å; Y16-N27 WeakPolarHBondContact CE2-O 3.37Å; Y16-L29 HydrophobicContact CD2-CD1 4.42Å; Y16-L29 HydrophobicContact CE2-CD1 4.07Å; Y16-L29 HydrophobicContact CE2-CG 4.36Å; Y16-I256 HydrophobicContact CE1-CD1 4.12Å |
| 17 | N | 90.5 | Very high | 91.6 | Very high | 115 Ų | 115 | 30.1 Ų | 30.1 | 62% | 0.615 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -76.8 | -26 | 178.9 | -67.9 | -14.6 | 0 | 0 | 0 | 112.8 | L13 I15 | L13-N17 VanDerWaalsContact O-CB 3.27Å; L13-N17 WeakPolarHBondContact O-CB 3.37Å; L13-N17 PolarHBondContact O-N 3.4Å; L13-N17 PolarHBondContact O-ND2 3.49Å; I15-N17 VanDerWaalsContact C-N 3.27Å; I15-N17 PolarHBondContact O-N 2.93Å |
| 18 | S | 89.9 | Confident | 91.4 | Very high | 29 Ų | 29 | 29.9 Ų | 29.9 | 20% | 0.203 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -106.3 | -22.5 | -170.8 | -54.4 | 0 | 0 | 0 | 0 | 114.5 | L14 I15 L203 | L14-S18 VanDerWaalsContact O-CB 3.28Å; L14-S18 WeakPolarHBondContact O-CB 3.18Å; L14-S18 PolarHBondContact O-N 3.18Å; L14-S18 PolarHBondContact O-OG 3.15Å; I15-S18 PolarHBondContact O-N 2.71Å; I15-S18 VanDerWaalsContact O-N 3.12Å; S18-L203 WeakPolarHBondContact OG-CD1 3.12Å |
| 19 | I | 90 | Very high | 91.3 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | trans | -86.2 | 131.4 | -176.7 | -159 | 167.9 | 0 | 0 | 0 | 111.9 | I15 L24 K26 F192 E195 L196 V199 | I15-I19 HydrophobicContact CG2-CB 4.44Å; I15-I19 HydrophobicContact CG2-CD1 4.47Å; I15-I19 HydrophobicContact CG2-CG2 4.18Å; I15-I19 VanDerWaalsContact O-CB 3.32Å; I15-I19 WeakPolarHBondContact O-CB 3.5Å; I15-I19 WeakPolarHBondContact O-CG2 3.31Å; I15-I19 PolarHBondContact O-N 3.19Å; I19-L24 HydrophobicContact CB-CD2 4.49Å; I19-L24 HydrophobicContact CD1-CD2 4.29Å; I19-L24 HydrophobicContact CG2-CD2 3.21Å; I19-K26 PolarHBondContact O-NZ 2.98Å; I19-F192 HydrophobicContact CD1-CD2 3.91Å; I19-F192 HydrophobicContact CD1-CE2 3.58Å; I19-E195 HydrophobicContact CD1-CB 4.41Å; I19-E195 HydrophobicContact CG1-CB 4.15Å; I19-L196 HydrophobicContact CD1-CB 4.15Å; I19-L196 HydrophobicContact CD1-CD1 4.17Å; I19-V199 HydrophobicContact CB-CG2 4.07Å; I19-V199 HydrophobicContact CG1-CG2 4.33Å | ||
| 20 | C | 85.9 | Confident | 91.1 | Very high | 109 Ų | 109 | 33.3 Ų | 33.3 | 74% | 0.736 | 18% | 0.182 | S | C | * | . | trans | -102.5 | 23.6 | -177.7 | -67.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 21 | Y | 88.8 | Confident | 91 | Very high | 20 Ų | 20 | 33.9 Ų | 33.9 | 8% | 0.078 | 19% | 0.185 | C | C | . | . | trans | -86.6 | 113.1 | 178.6 | -170.4 | -115.7 | 0 | 0 | 0 | 111.3 | K23 L24 M188 E191 F192 I254 | Y21-K23 VanDerWaalsContact C-N 3.27Å; Y21-K23 HydrophobicContact CD1-CB 4.22Å; Y21-K23 HydrophobicContact CE1-CB 3.59Å; Y21-K23 PolarHBondContact O-N 3.39Å; Y21-L24 HydrophobicContact CD1-CB 4.24Å; Y21-L24 WeakPolarHBondContact O-CB 3.42Å; Y21-L24 PolarHBondContact O-N 3.21Å; Y21-L24 VanDerWaalsContact O-N 3.13Å; Y21-M188 WeakPolarHBondContact OH-CA 3.37Å; Y21-M188 PolarHBondContact OH-O 3.15Å; Y21-E191 HydrophobicContact CD2-CB 4.39Å; Y21-E191 HydrophobicContact CE2-CB 3.58Å; Y21-E191 PolarHBondContact OH-OE2 3.25Å; Y21-E191 VanDerWaalsContact OH-OE2 3.13Å; Y21-F192 HydrophobicContact CD1-CB 4.08Å; Y21-F192 AromaticContact CD1-CD2 3.97Å; Y21-F192 HydrophobicContact CD1-CD2 3.97Å; Y21-F192 HydrophobicContact CD1-CG 4.49Å; Y21-F192 HydrophobicContact CE1-CB 4Å; Y21-F192 HydrophobicContact CG-CD2 4.49Å; Y21-I254 HydrophobicContact CD1-CD1 4.33Å; Y21-I254 HydrophobicContact CE1-CD1 3.68Å; Y21-I254 HydrophobicContact CE1-CG1 4.34Å | ||
| 22 | S | 87.5 | Confident | 90.8 | Very high | 96 Ų | 96 | 33.9 Ų | 33.9 | 67% | 0.671 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -23.7 | -171.8 | 58.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 23 | K | 90.6 | Very high | 90.5 | Very high | 75 Ų | 75 | 38 Ų | 38 | 33% | 0.326 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 9.5 | 178 | -58.3 | 179.2 | -178.3 | 168.3 | 0 | 113.5 | Y21 M188 Y253 I254 | Y21-K23 VanDerWaalsContact C-N 3.27Å; Y21-K23 HydrophobicContact CD1-CB 4.22Å; Y21-K23 HydrophobicContact CE1-CB 3.59Å; Y21-K23 PolarHBondContact O-N 3.39Å; K23-M188 HydrophobicContact CB-CE 4.26Å; K23-M188 HydrophobicContact CD-CE 3.95Å; K23-M188 HydrophobicContact CD-CG 4.36Å; K23-M188 HydrophobicContact CD-SD 4.35Å; K23-Y253 WeakPolarHBondContact O-CA 3.4Å; K23-I254 PolarHBondContact O-N 2.96Å |
| 24 | L | 92.3 | Very high | 90 | Very high | 10 Ų | 10 | 41.2 Ų | 41.2 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 123 | 170.3 | 178.1 | 67.2 | 0 | 0 | 0 | 110.4 | Y16 I19 Y21 K26 F192 I254 I256 | Y16-L24 HydrophobicContact CD1-CD2 3.98Å; Y16-L24 HydrophobicContact CE1-CD2 4.25Å; I19-L24 HydrophobicContact CB-CD2 4.49Å; I19-L24 HydrophobicContact CD1-CD2 4.29Å; I19-L24 HydrophobicContact CG2-CD2 3.21Å; Y21-L24 HydrophobicContact CD1-CB 4.24Å; Y21-L24 WeakPolarHBondContact O-CB 3.42Å; Y21-L24 PolarHBondContact O-N 3.21Å; Y21-L24 VanDerWaalsContact O-N 3.13Å; L24-K26 PolarHBondContact O-N 3.17Å; L24-F192 HydrophobicContact CD1-CD2 4.49Å; L24-F192 HydrophobicContact CD1-CE2 3.76Å; L24-F192 HydrophobicContact CD1-CZ 4.35Å; L24-F192 HydrophobicContact CD2-CE2 4.27Å; L24-F192 HydrophobicContact CG-CE2 4.46Å; L24-I254 HydrophobicContact CD1-CB 4.36Å; L24-I254 HydrophobicContact CD1-CG2 4.2Å; L24-I254 WeakPolarHBondContact CD1-O 3.28Å; L24-I256 HydrophobicContact CD1-CD1 3.88Å; L24-I256 HydrophobicContact CD1-CG1 3.9Å; L24-I256 HydrophobicContact CD2-CD1 4.42Å |
| 25 | A | 90.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 104.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N27 W218 I254 H255 | A25-N27 VanDerWaalsContact C-N 3.34Å; A25-N27 PolarHBondContact O-N 2.8Å; A25-N27 VanDerWaalsContact O-N 3.09Å; A25-W218 HydrophobicContact CB-CE3 3.82Å; A25-W218 HydrophobicContact CB-CH2 4.45Å; A25-W218 HydrophobicContact CB-CZ3 3.33Å; A25-I254 WeakPolarHBondContact CB-O 3.43Å; A25-I254 PolarHBondContact N-O 3.43Å; A25-H255 HydrophobicContact CB-CB 4.39Å; A25-H255 WeakPolarHBondContact CB-CE1 3.39Å; A25-H255 WeakPolarHBondContact CB-ND1 3.45Å |
| 26 | K | 88.4 | Confident | 89 | Confident | 80 Ų | 80 | 49.1 Ų | 49.1 | 35% | 0.348 | 28% | 0.278 | S | S | . | . | trans | -82.5 | 79.3 | 173.2 | -60.2 | -173.9 | -174.6 | -169.8 | 0 | 109.7 | Y16 I19 L24 | Y16-K26 HydrophobicContact CD1-CB 4.4Å; Y16-K26 HydrophobicContact CD1-CG 4.08Å; Y16-K26 HydrophobicContact CG-CB 4.27Å; Y16-K26 HydrophobicContact CG-CG 4.19Å; Y16-K26 WeakPolarHBondContact O-CE 3.48Å; Y16-K26 PolarHBondContact O-NZ 3.49Å; I19-K26 PolarHBondContact O-NZ 2.98Å; L24-K26 PolarHBondContact O-N 3.17Å | ||
| 27 | N | 85.7 | Confident | 88.4 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | trans | -62.7 | 137.4 | -179.8 | -65.6 | -23.1 | 0 | 0 | 0 | 110.6 | Y16 A25 H255 | Y16-N27 WeakPolarHBondContact CE2-O 3.37Å; A25-N27 VanDerWaalsContact C-N 3.34Å; A25-N27 PolarHBondContact O-N 2.8Å; A25-N27 VanDerWaalsContact O-N 3.09Å; N27-H255 PolarHBondContact OD1-ND1 3.21Å | ||
| 28 | P | 89.7 | Confident | 87.9 | Confident | 22 Ų | 22 | 48 Ų | 48 | 14% | 0.143 | 27% | 0.273 | C | S | . | . | trans | -64.9 | 144.3 | 173.2 | 29.1 | -36.1 | 0 | 0 | 0 | 110.7 | W45 P105 | P28-W45 HydrophobicContact CB-CD2 3.98Å; P28-W45 HydrophobicContact CB-CG 4.29Å; P28-W45 HydrophobicContact CB-CZ2 3.94Å; P28-W45 HydrophobicContact CG-CD2 3.58Å; P28-W45 HydrophobicContact CG-CE3 3.86Å; P28-W45 HydrophobicContact CG-CG 3.95Å; P28-W45 HydrophobicContact CG-CH2 4.4Å; P28-W45 HydrophobicContact CG-CZ2 4.16Å; P28-W45 HydrophobicContact CG-CZ3 4.27Å; P28-P105 HydrophobicContact CG-CG 3.84Å; P28-P105 WeakPolarHBondContact O-CD 3.48Å | ||
| 29 | L | 92.2 | Very high | 87.3 | Confident | 28 Ų | 28 | 49.3 Ų | 49.3 | 15% | 0.147 | 28% | 0.282 | C | S | . | . | trans | -123.1 | 136 | -177.2 | -57 | 175 | 0 | 0 | 0 | 109.3 | E9 K12 L13 Y16 L102 E104 | E9-L29 HydrophobicContact CG-CD1 4.44Å; K12-L29 HydrophobicContact CB-CD1 3.63Å; K12-L29 HydrophobicContact CD-CD1 4.23Å; K12-L29 HydrophobicContact CD-CD2 4.03Å; L13-L29 HydrophobicContact CD2-CD1 4.03Å; L13-L29 HydrophobicContact CG-CD1 3.93Å; Y16-L29 HydrophobicContact CD2-CD1 4.42Å; Y16-L29 HydrophobicContact CE2-CD1 4.07Å; Y16-L29 HydrophobicContact CE2-CG 4.36Å; L29-L102 HydrophobicContact CB-CD1 4.16Å; L29-L102 HydrophobicContact CD2-CD1 4.36Å; L29-E104 HydrophobicContact CD2-CG 3.71Å; L29-E104 WeakPolarHBondContact CD2-OE1 3.38Å | ||
| 30 | R | 91.8 | Very high | 86.8 | Confident | 66 Ų | 66 | 52.3 Ų | 52.3 | 25% | 0.249 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 128.8 | 171.2 | -178.6 | 67.9 | -173 | -146.4 | 11 | 110.7 | V41 D43 W45 I46 I103 | R30-V41 HydrophobicContact CG-CG1 4.43Å; R30-D43 WeakPolarHBondContact CD-OD2 3.42Å; R30-D43 IonicContact CZ-OD2 3.93Å; R30-D43 IonicContact NE-OD2 2.74Å; R30-D43 IonicContact NH1-OD1 3.37Å; R30-D43 PolarHBondContact NH1-OD1 2.76Å; R30-D43 IonicContact NH1-OD2 3.59Å; R30-D43 PolarHBondContact NH1-OD2 2.72Å; R30-W45 HydrophobicContact CB-CZ2 3.93Å; R30-I46 HydrophobicContact CB-CD1 3.64Å; R30-I46 HydrophobicContact CG-CD1 3.76Å; R30-I103 HydrophobicContact CB-CB 4.34Å; R30-I103 HydrophobicContact CG-CD1 4.42Å; R30-I103 PolarHBondContact N-O 2.76Å; R30-I103 PolarHBondContact O-N 2.96Å |
| 31 | V | 91.7 | Very high | 86.6 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 10% | 0.097 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 139.3 | 173 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | E9 K33 R100 F101 L102 | E9-V31 HydrophobicContact CB-CG2 3.94Å; E9-V31 HydrophobicContact CG-CG2 3.59Å; V31-K33 HydrophobicContact CG1-CG 3.81Å; V31-R100 HydrophobicContact CG1-CG 3.6Å; V31-F101 WeakPolarHBondContact CA-O 3.33Å; V31-L102 HydrophobicContact CG2-CD1 4.16Å |
| 32 | V | 90.9 | Very high | 86.2 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120.4 | 167.4 | 175 | 0 | 0 | 0 | 0 | 107.7 | V38 V41 I81 L85 R100 F101 I103 | V32-V38 HydrophobicContact CG1-CB 4.24Å; V32-V38 HydrophobicContact CG1-CG1 4.05Å; V32-V38 HydrophobicContact CG1-CG2 3.66Å; V32-V38 HydrophobicContact CG2-CG1 4.48Å; V32-V41 HydrophobicContact CG2-CG2 4.02Å; V32-I81 HydrophobicContact CG1-CG2 4.3Å; V32-L85 HydrophobicContact CG1-CD2 4.5Å; V32-R100 WeakPolarHBondContact O-CA 3.29Å; V32-F101 PolarHBondContact N-O 2.88Å; V32-F101 PolarHBondContact O-N 3.06Å; V32-I103 HydrophobicContact CG2-CD1 3.62Å |
| 33 | K | 89.6 | Confident | 86 | Confident | 85 Ų | 85 | 47.8 Ų | 47.8 | 37% | 0.37 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 157.9 | -179.3 | -59.4 | -174.6 | -178.3 | -173 | 0 | 112 | V31 G35 E36 D99 | V31-K33 HydrophobicContact CG1-CG 3.81Å; K33-G35 PolarHBondContact O-N 3.41Å; K33-E36 HydrophobicContact CB-CG 4.38Å; K33-E36 PolarHBondContact N-OE2 3Å; K33-E36 WeakPolarHBondContact O-CB 3.36Å; K33-E36 PolarHBondContact O-N 3.47Å; K33-E36 VanDerWaalsContact O-N 3.09Å; K33-D99 CarbonylContact C-O 3.59Å; K33-D99 WeakPolarHBondContact CA-O 3.3Å |
| 34 | L | 84.7 | Confident | 85.7 | Confident | 96 Ų | 96 | 49 Ų | 49 | 50% | 0.503 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 124.5 | 170.4 | -178.6 | 62.1 | 0 | 0 | 0 | 109.9 | L85 A86 D99 | L34-L85 HydrophobicContact CD1-CG 4.25Å; L34-A86 HydrophobicContact CD1-CB 3.62Å; L34-D99 HydrophobicContact CB-CB 3.86Å; L34-D99 HydrophobicContact CD2-CB 4.24Å; L34-D99 PolarHBondContact N-O 2.91Å |
| 35 | G | 82.3 | Confident | 85.5 | Confident | 78 Ų | 78 | 49.8 Ų | 49.8 | 80% | 0.804 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.1 | -15.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | K33 | K33-G35 PolarHBondContact O-N 3.41Š|
| 36 | E | 83.3 | Confident | 85.4 | Confident | 88 Ų | 88 | 49.7 Ų | 49.7 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -79.6 | 137.4 | 169 | -65.1 | -179.5 | 157.1 | 0 | 0 | 110.1 | K33 V38 | K33-E36 HydrophobicContact CB-CG 4.38Å; K33-E36 PolarHBondContact N-OE2 3Å; K33-E36 WeakPolarHBondContact O-CB 3.36Å; K33-E36 PolarHBondContact O-N 3.47Å; K33-E36 VanDerWaalsContact O-N 3.09Å; E36-V38 PolarHBondContact O-N 3.43Å |
| 37 | D | 80.8 | Confident | 85.3 | Confident | 95 Ų | 95 | 50.2 Ų | 50.2 | 51% | 0.508 | 29% | 0.285 | S | S | . | . | trans | -69.6 | 103 | 169.8 | -179.2 | 10 | 0 | 0 | 0 | 108.3 | S39 S40 | D37-S39 PolarHBondContact O-N 2.61Å; D37-S39 WeakPolarHBondContact OD1-CA 3.25Å; D37-S39 WeakPolarHBondContact OD1-CB 3.42Å; D37-S39 PolarHBondContact OD1-N 3.25Å; D37-S39 PolarHBondContact OD1-OG 3.1Å; D37-S40 WeakPolarHBondContact O-CB 3.43Å; D37-S40 PolarHBondContact O-N 2.81Å; D37-S40 PolarHBondContact O-OG 2.9Å | ||
| 38 | V | 79.5 | Confident | 85.2 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -52.6 | -24.3 | 176.2 | -165.6 | 0 | 0 | 0 | 0 | 111.3 | V32 E36 S40 V41 W74 Q78 I81 K82 L85 | V32-V38 HydrophobicContact CG1-CB 4.24Å; V32-V38 HydrophobicContact CG1-CG1 4.05Å; V32-V38 HydrophobicContact CG1-CG2 3.66Å; V32-V38 HydrophobicContact CG2-CG1 4.48Å; E36-V38 PolarHBondContact O-N 3.43Å; V38-S40 VanDerWaalsContact C-N 3.3Å; V38-S40 PolarHBondContact O-N 2.67Å; V38-V41 WeakPolarHBondContact O-CG2 3.28Å; V38-W74 HydrophobicContact CG1-CH2 3.89Å; V38-W74 HydrophobicContact CG1-CZ2 4.32Å; V38-W74 VanDerWaalsContact O-CZ2 3.31Å; V38-W74 WeakPolarHBondContact O-CZ2 3.38Å; V38-Q78 HydrophobicContact CG1-CG 4.01Å; V38-I81 HydrophobicContact CG1-CG2 4.16Å; V38-I81 HydrophobicContact CG2-CG2 4.4Å; V38-K82 HydrophobicContact CB-CG 4.27Å; V38-K82 HydrophobicContact CG2-CG 4.19Å; V38-L85 HydrophobicContact CG2-CD2 4.05Å |
| 39 | S | 78.3 | Confident | 84.9 | Confident | 56 Ų | 56 | 57.1 Ų | 57.1 | 39% | 0.392 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -74.7 | -14.8 | 177.3 | -28.9 | 0 | 0 | 0 | 0 | 114 | D37 V41 K82 | D37-S39 PolarHBondContact O-N 2.61Å; D37-S39 WeakPolarHBondContact OD1-CA 3.25Å; D37-S39 WeakPolarHBondContact OD1-CB 3.42Å; D37-S39 PolarHBondContact OD1-N 3.25Å; D37-S39 PolarHBondContact OD1-OG 3.1Å; S39-V41 VanDerWaalsContact C-N 3.32Å; S39-K82 PolarHBondContact OG-NZ 2.82Å |
| 40 | S | 79.3 | Confident | 84.9 | Confident | 66 Ų | 66 | 60.2 Ų | 60.2 | 46% | 0.462 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -86 | -0.9 | 178.8 | 78.9 | 0 | 0 | 0 | 0 | 113.8 | D37 V38 T42 | D37-S40 WeakPolarHBondContact O-CB 3.43Å; D37-S40 PolarHBondContact O-N 2.81Å; D37-S40 PolarHBondContact O-OG 2.9Å; V38-S40 VanDerWaalsContact C-N 3.3Å; V38-S40 PolarHBondContact O-N 2.67Å; S40-T42 PolarHBondContact O-N 2.93Å |
| 41 | V | 80.5 | Confident | 85 | Confident | 8 Ų | 8 | 57 Ų | 57 | 5% | 0.048 | 32% | 0.321 | C | S | . | . | trans | -67.7 | 113.1 | 175.4 | 178.5 | 0 | 0 | 0 | 0 | 108.7 | R30 V32 V38 S39 I46 W74 | R30-V41 HydrophobicContact CG-CG1 4.43Å; V32-V41 HydrophobicContact CG2-CG2 4.02Å; V38-V41 WeakPolarHBondContact O-CG2 3.28Å; S39-V41 VanDerWaalsContact C-N 3.32Å; V41-I46 HydrophobicContact CG1-CD1 3.5Å; V41-I46 HydrophobicContact CG1-CG2 4.34Å; V41-W74 HydrophobicContact CB-CH2 3.94Å; V41-W74 HydrophobicContact CB-CZ2 3.62Å; V41-W74 HydrophobicContact CG1-CH2 4.13Å; V41-W74 HydrophobicContact CG1-CZ2 4.06Å; V41-W74 HydrophobicContact CG2-CH2 3.99Å; V41-W74 HydrophobicContact CG2-CZ2 4.07Å | ||
| 42 | T | 80.5 | Confident | 85.1 | Confident | 112 Ų | 112 | 57.3 Ų | 57.3 | 69% | 0.687 | 32% | 0.323 | S | S | * | . | trans | -119.9 | 6 | -173.1 | 44.1 | 0 | 0 | 0 | 0 | 113 | S40 E44 | S40-T42 PolarHBondContact O-N 2.93Å; T42-E44 PolarHBondContact O-N 3.37Å; T42-E44 VanDerWaalsContact O-N 3.17Å | ||
| 43 | D | 83.1 | Confident | 85.3 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 5% | 0.048 | 32% | 0.322 | C | S | . | . | trans | -59.4 | 118.2 | -179.8 | -56.2 | -84.1 | 0 | 0 | 0 | 110.4 | R30 W45 I46 | R30-D43 WeakPolarHBondContact CD-OD2 3.42Å; R30-D43 IonicContact CZ-OD2 3.93Å; R30-D43 IonicContact NE-OD2 2.74Å; R30-D43 IonicContact NH1-OD1 3.37Å; R30-D43 PolarHBondContact NH1-OD1 2.76Å; R30-D43 IonicContact NH1-OD2 3.59Å; R30-D43 PolarHBondContact NH1-OD2 2.72Å; D43-W45 PolarHBondContact O-N 2.97Å; D43-W45 VanDerWaalsContact O-N 3.12Å; D43-I46 HydrophobicContact CB-CB 4.48Å; D43-I46 HydrophobicContact CB-CD1 3.91Å; D43-I46 HydrophobicContact CB-CG1 4.04Å; D43-I46 WeakPolarHBondContact O-CB 3.46Å; D43-I46 PolarHBondContact O-N 2.91Å | ||
| 44 | E | 84.1 | Confident | 85.6 | Confident | 101 Ų | 101 | 53.6 Ų | 53.6 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.7 | -34.9 | -171 | -73 | -159.6 | 162.3 | 0 | 0 | 113.1 | T42 I46 L47 H48 | T42-E44 PolarHBondContact O-N 3.37Å; T42-E44 VanDerWaalsContact O-N 3.17Å; E44-I46 VanDerWaalsContact C-N 3.26Å; E44-I46 PolarHBondContact O-N 3.44Å; E44-L47 PolarHBondContact O-N 2.93Å; E44-H48 PolarHBondContact O-N 2.62Å; E44-H48 PolarHBondContact O-ND1 3.06Å |
| 45 | W | 88.2 | Confident | 86 | Confident | 26 Ų | 26 | 49 Ų | 49 | 10% | 0.098 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.2 | -27 | 179.9 | 72 | -93.8 | 0 | 0 | 0 | 112.6 | P28 R30 D43 N49 L51 I103 P105 | P28-W45 HydrophobicContact CB-CD2 3.98Å; P28-W45 HydrophobicContact CB-CG 4.29Å; P28-W45 HydrophobicContact CB-CZ2 3.94Å; P28-W45 HydrophobicContact CG-CD2 3.58Å; P28-W45 HydrophobicContact CG-CE3 3.86Å; P28-W45 HydrophobicContact CG-CG 3.95Å; P28-W45 HydrophobicContact CG-CH2 4.4Å; P28-W45 HydrophobicContact CG-CZ2 4.16Å; P28-W45 HydrophobicContact CG-CZ3 4.27Å; R30-W45 HydrophobicContact CB-CZ2 3.93Å; D43-W45 PolarHBondContact O-N 2.97Å; D43-W45 VanDerWaalsContact O-N 3.12Å; W45-N49 WeakPolarHBondContact O-CB 3.21Å; W45-N49 PolarHBondContact O-N 2.98Å; W45-N49 PolarHBondContact O-ND2 2.95Å; W45-L51 HydrophobicContact CE3-CD2 4.31Å; W45-L51 HydrophobicContact CZ3-CD2 3.91Å; W45-I103 HydrophobicContact CH2-CG2 4.21Å; W45-P105 HydrophobicContact CE3-CG 3.84Å; W45-P105 HydrophobicContact CH2-CG 4.49Å; W45-P105 HydrophobicContact CZ3-CB 4.44Å; W45-P105 VanDerWaalsContact CZ3-CD 3.48Å; W45-P105 HydrophobicContact CZ3-CG 3.64Å |
| 46 | I | 88.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.5 | -37.2 | 176.8 | -66.8 | -178.5 | 0 | 0 | 0 | 110 | R30 V41 D43 E44 H48 L51 W74 I103 | R30-I46 HydrophobicContact CB-CD1 3.64Å; R30-I46 HydrophobicContact CG-CD1 3.76Å; V41-I46 HydrophobicContact CG1-CD1 3.5Å; V41-I46 HydrophobicContact CG1-CG2 4.34Å; D43-I46 HydrophobicContact CB-CB 4.48Å; D43-I46 HydrophobicContact CB-CD1 3.91Å; D43-I46 HydrophobicContact CB-CG1 4.04Å; D43-I46 WeakPolarHBondContact O-CB 3.46Å; D43-I46 PolarHBondContact O-N 2.91Å; E44-I46 VanDerWaalsContact C-N 3.26Å; E44-I46 PolarHBondContact O-N 3.44Å; I46-H48 PolarHBondContact O-N 2.78Å; I46-L51 HydrophobicContact CG2-CD1 3.7Å; I46-W74 HydrophobicContact CG2-CB 4.14Å; I46-W74 HydrophobicContact CG2-CD2 3.53Å; I46-W74 HydrophobicContact CG2-CE3 3.36Å; I46-W74 HydrophobicContact CG2-CG 3.87Å; I46-W74 HydrophobicContact CG2-CZ3 4.02Å; I46-I103 HydrophobicContact CD1-CG2 4.3Å; I46-I103 HydrophobicContact CG1-CG2 4.48Å |
| 47 | L | 86.2 | Confident | 86.8 | Confident | 91 Ų | 91 | 41.8 Ų | 41.8 | 48% | 0.476 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -73.7 | -25.2 | -175.5 | -58.6 | 179.8 | 0 | 0 | 0 | 113.5 | E44 W74 | E44-L47 PolarHBondContact O-N 2.93Å; L47-W74 HydrophobicContact CD2-CB 4.47Å; L47-W74 VanDerWaalsContact CD2-CD1 3.44Å; L47-W74 HydrophobicContact CD2-CG 4.07Å |
| 48 | H | 84 | Confident | 87.1 | Confident | 124 Ų | 124 | 39.6 Ų | 39.6 | 57% | 0.574 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -111.6 | -6 | -170.4 | -63.6 | 98.4 | 0 | 0 | 0 | 115.1 | E44 I46 | E44-H48 PolarHBondContact O-N 2.62Å; E44-H48 PolarHBondContact O-ND1 3.06Å; I46-H48 PolarHBondContact O-N 2.78Å |
| 49 | N | 83.8 | Confident | 87.4 | Confident | 47 Ų | 47 | 39.7 Ų | 39.7 | 25% | 0.251 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -115.7 | 155.5 | -179.1 | -64.4 | -65.9 | 0 | 0 | 0 | 110.8 | W45 L51 | W45-N49 WeakPolarHBondContact O-CB 3.21Å; W45-N49 PolarHBondContact O-N 2.98Å; W45-N49 PolarHBondContact O-ND2 2.95Å; N49-L51 HydrophobicContact CB-CD2 4.46Å |
| 50 | N | 91.6 | Very high | 87.7 | Confident | 92 Ų | 92 | 44 Ų | 44 | 49% | 0.492 | 23% | 0.228 | S | C | . | . | trans | -69.1 | 147.3 | 159.6 | -69.4 | -19.7 | 0 | 0 | 0 | 108.6 | F72 F106 | N50-F72 CarbonylContact C-O 3.53Å; N50-F72 WeakPolarHBondContact CA-O 2.87Å; N50-F106 HydrophobicContact CB-CB 3.93Å; N50-F106 HydrophobicContact CB-CD1 4.32Å; N50-F106 HydrophobicContact CB-CG 4.48Å; N50-F106 WeakPolarHBondContact O-CB 2.98Å; N50-F106 PolarHBondContact O-N 3.03Å | ||
| 51 | L | 93.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 160.4 | -167.1 | -52.4 | 173.6 | 0 | 0 | 0 | 111.2 | W45 I46 N49 A70 G71 F72 W74 I103 E104 | W45-L51 HydrophobicContact CE3-CD2 4.31Å; W45-L51 HydrophobicContact CZ3-CD2 3.91Å; I46-L51 HydrophobicContact CG2-CD1 3.7Å; N49-L51 HydrophobicContact CB-CD2 4.46Å; L51-A70 CarbonylContact O-C 3.53Å; L51-G71 PolarHBondContact O-N 2.79Å; L51-F72 PolarHBondContact N-O 2.66Å; L51-F72 PolarHBondContact O-N 3.47Å; L51-W74 HydrophobicContact CD1-CB 4.18Å; L51-W74 HydrophobicContact CD1-CE3 3.92Å; L51-I103 HydrophobicContact CB-CG2 4.4Å; L51-I103 HydrophobicContact CD1-CG2 4.11Å; L51-I103 HydrophobicContact CD2-CG2 4.39Å; L51-E104 CarbonylContact C-O 3.52Å; L51-E104 VanDerWaalsContact CA-O 3.3Å; L51-E104 WeakPolarHBondContact CA-O 3.03Å |
| 52 | V | 94.4 | Very high | 88.3 | Confident | 22 Ų | 22 | 50 Ų | 50 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 128.5 | 160.4 | -178.8 | 0 | 0 | 0 | 0 | 107.2 | V68 F69 A70 I103 E104 F106 | V52-V68 HydrophobicContact CG1-CG1 3.83Å; V52-F69 CarbonylContact C-O 3.58Å; V52-F69 VanDerWaalsContact CA-O 3.29Å; V52-F69 WeakPolarHBondContact CA-O 3.39Å; V52-A70 HydrophobicContact CG1-CB 4.45Å; V52-A70 HydrophobicContact CG2-CB 3.95Å; V52-I103 WeakPolarHBondContact O-CA 3.33Å; V52-E104 PolarHBondContact N-O 3.19Å; V52-E104 PolarHBondContact O-N 2.86Å; V52-F106 HydrophobicContact CG2-CB 4.14Å; V52-F106 HydrophobicContact CG2-CD2 3.82Å; V52-F106 HydrophobicContact CG2-CG 4.49Å |
| 53 | S | 94.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 126.8 | 173.9 | -53.9 | 0 | 0 | 0 | 0 | 109.7 | F69 S77 L102 | S53-F69 PolarHBondContact N-O 3.14Å; S53-F69 VanDerWaalsContact O-CD2 3.31Å; S53-F69 WeakPolarHBondContact O-CD2 3.25Å; S53-F69 PolarHBondContact O-N 3.18Å; S53-S77 WeakPolarHBondContact OG-CB 3.49Å; S53-S77 PolarHBondContact OG-OG 3.41Å; S53-L102 WeakPolarHBondContact CA-O 3.33Å |
| 54 | K | 95.2 | Very high | 88.7 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 4% | 0.035 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 147.3 | -175.9 | 59.7 | -172.9 | -179.7 | 176.6 | 0 | 112.1 | E8 V68 F101 L102 E104 L257 D258 | E8-K54 VanDerWaalsContact CD-NZ 3.26Å; E8-K54 VanDerWaalsContact OE1-CE 3.27Å; E8-K54 WeakPolarHBondContact OE1-CE 3.36Å; E8-K54 IonicContact OE1-NZ 2.81Å; E8-K54 PolarHBondContact OE1-NZ 2.86Å; E8-K54 WeakPolarHBondContact OE2-CE 3.41Å; E8-K54 IonicContact OE2-NZ 3.86Å; E8-K54 PolarHBondContact OE2-NZ 3.43Å; E8-K54 VanDerWaalsContact OE2-NZ 3.15Å; K54-V68 HydrophobicContact CB-CG2 4.21Å; K54-F101 WeakPolarHBondContact O-CA 3.46Å; K54-L102 PolarHBondContact N-O 3.18Å; K54-L102 PolarHBondContact O-N 2.76Å; K54-E104 WeakPolarHBondContact CE-OE2 3.37Å; K54-E104 IonicContact NZ-OE2 3.76Å; K54-E104 PolarHBondContact NZ-OE2 3.35Å; K54-L257 PolarHBondContact NZ-O 3Å; K54-D258 IonicContact NZ-OD1 3.48Å; K54-D258 PolarHBondContact NZ-OD1 3.38Å |
| 55 | P | 94 | Very high | 88.8 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 136.6 | 172.8 | -22.2 | 31.9 | 0 | 0 | 0 | 111.9 | V57 R62 L67 L98 R100 F101 | P55-V57 HydrophobicContact CB-CG2 3.92Å; P55-R62 WeakPolarHBondContact O-CD 3.47Å; P55-R62 PolarHBondContact O-NH1 3.29Å; P55-L67 WeakPolarHBondContact CD-O 3.29Å; P55-L67 HydrophobicContact CG-CB 4.09Å; P55-L67 HydrophobicContact CG-CD1 4.33Å; P55-L67 HydrophobicContact CG-CD2 4.33Å; P55-L98 HydrophobicContact CB-CD2 4.11Å; P55-L98 HydrophobicContact CG-CD1 4.39Å; P55-L98 HydrophobicContact CG-CD2 4.26Å; P55-R100 WeakPolarHBondContact CA-O 3.2Å; P55-F101 HydrophobicContact CB-CE1 4.39Å; P55-F101 HydrophobicContact CG-CD1 4.21Å; P55-F101 HydrophobicContact CG-CE1 3.61Å; P55-F101 HydrophobicContact CG-CZ 3.95Å |
| 56 | D | 93.7 | Very high | 88.9 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.011 | 26% | 0.262 | C | S | . | . | trans | -116.8 | 66 | 177.6 | -179.4 | 25.3 | 0 | 0 | 0 | 109.2 | Y7 E8 R100 L102 | Y7-D56 WeakPolarHBondContact CD1-O 3.45Å; Y7-D56 WeakPolarHBondContact CE1-O 3.49Å; E8-D56 WeakPolarHBondContact CB-OD1 3.23Å; E8-D56 PolarHBondContact N-OD1 2.97Å; D56-R100 HydrophobicContact CB-CG 4.25Å; D56-R100 PolarHBondContact N-O 2.81Å; D56-R100 VanDerWaalsContact O-CD 3.31Å; D56-R100 WeakPolarHBondContact O-CD 3.39Å; D56-R100 IonicContact OD2-CZ 3.32Å; D56-R100 IonicContact OD2-NE 2.69Å; D56-R100 PolarHBondContact OD2-NE 2.76Å; D56-R100 IonicContact OD2-NH2 3.54Å; D56-R100 PolarHBondContact OD2-NH2 3.32Å; D56-L102 HydrophobicContact CB-CB 3.88Å | ||
| 57 | V | 89.2 | Confident | 89 | Confident | 11 Ų | 11 | 51.4 Ų | 51.4 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -134.7 | 35.7 | -173.1 | -66.8 | 0 | 0 | 0 | 0 | 111.3 | P55 I59 L98 D99 R100 F290 | P55-V57 HydrophobicContact CB-CG2 3.92Å; V57-I59 HydrophobicContact CG2-CD1 3.51Å; V57-I59 HydrophobicContact CG2-CG1 3.87Å; V57-I59 PolarHBondContact O-N 2.61Å; V57-L98 HydrophobicContact CG2-CD2 4Å; V57-D99 WeakPolarHBondContact CG1-OD1 3.48Å; V57-R100 HydrophobicContact CG1-CB 3.89Å; V57-F290 HydrophobicContact CB-CD2 4.17Å; V57-F290 HydrophobicContact CG2-CD2 3.77Å; V57-F290 HydrophobicContact CG2-CE2 4.05Å; V57-F290 WeakPolarHBondContact O-CB 3.15Å |
| 58 | L | 87.8 | Confident | 89.4 | Confident | 50 Ų | 50 | 49.6 Ų | 49.6 | 26% | 0.262 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 57.9 | 26.8 | -179.4 | -54.1 | -172.6 | 0 | 0 | 0 | 115.6 | A5 V6 P287 | A5-L58 HydrophobicContact CB-CD1 3.7Å; A5-L58 HydrophobicContact CB-CD2 4.21Å; V6-L58 VanDerWaalsContact O-CD2 3.27Å; V6-L58 WeakPolarHBondContact O-CD2 3.3Å; L58-P287 HydrophobicContact CD1-CB 4.27Å; L58-P287 HydrophobicContact CD1-CG 3.91Å; L58-P287 HydrophobicContact CD2-CG 4.28Å; L58-P287 HydrophobicContact CG-CG 4.14Å |
| 59 | I | 85.6 | Confident | 89.8 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | trans | -80.6 | 124.1 | 172.1 | -67.7 | 167.4 | 0 | 0 | 0 | 109.5 | V57 R62 L65 L67 I91 L98 F290 | V57-I59 HydrophobicContact CG2-CD1 3.51Å; V57-I59 HydrophobicContact CG2-CG1 3.87Å; V57-I59 PolarHBondContact O-N 2.61Å; I59-R62 HydrophobicContact CB-CG 4.03Å; I59-R62 HydrophobicContact CG2-CG 3.72Å; I59-R62 WeakPolarHBondContact O-CD 3.38Å; I59-R62 WeakPolarHBondContact O-CG 3.39Å; I59-R62 PolarHBondContact O-NE 3.14Å; I59-L65 HydrophobicContact CG2-CD1 3.72Å; I59-L67 HydrophobicContact CD1-CD1 4.2Å; I59-L67 HydrophobicContact CG2-CD1 4.44Å; I59-I91 HydrophobicContact CB-CD1 4.09Å; I59-I91 HydrophobicContact CD1-CD1 3.83Å; I59-I91 HydrophobicContact CG1-CD1 3.6Å; I59-I91 HydrophobicContact CG2-CD1 3.39Å; I59-L98 HydrophobicContact CD1-CD2 3.69Å; I59-F290 HydrophobicContact CD1-CD1 4.23Å; I59-F290 HydrophobicContact CD1-CD2 3.76Å; I59-F290 HydrophobicContact CD1-CE1 4.17Å; I59-F290 HydrophobicContact CD1-CE2 3.71Å; I59-F290 HydrophobicContact CD1-CG 4.04Å; I59-F290 HydrophobicContact CD1-CZ 3.92Å; I59-F290 HydrophobicContact CG1-CB 4.01Å; I59-F290 HydrophobicContact CG1-CD1 3.91Å; I59-F290 HydrophobicContact CG1-CD2 3.72Å; I59-F290 HydrophobicContact CG1-CE1 4.35Å; I59-F290 HydrophobicContact CG1-CE2 4.2Å; I59-F290 HydrophobicContact CG1-CG 3.58Å; I59-F290 HydrophobicContact CG1-CZ 4.48Å | ||
| 60 | K | 83.5 | Confident | 90.2 | Very high | 146 Ų | 146 | 44.6 Ų | 44.6 | 64% | 0.635 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -83.3 | 158.7 | 169 | -64.5 | -169.6 | 176.1 | -165 | 0 | 111.1 | R62 | K60-R62 VanDerWaalsContact C-N 3.26Å; K60-R62 PolarHBondContact O-N 2.73Å |
| 61 | R | 84.1 | Confident | 90.1 | Very high | 181 Ų | 181 | 41.6 Ų | 41.6 | 68% | 0.683 | 23% | 0.23 | S | C | * | . | trans | 57.6 | 32.7 | 175.5 | -55 | -179.5 | 178.6 | -179.3 | 0.7 | 114.2 | G63 K64 L65 | R61-G63 PolarHBondContact O-N 3.38Å; R61-G63 VanDerWaalsContact O-N 3.14Å; R61-K64 HydrophobicContact CB-CB 4.46Å; R61-K64 PolarHBondContact O-N 3.2Å; R61-L65 PolarHBondContact O-N 3.06Å; R61-L65 VanDerWaalsContact O-N 3.17Å | ||
| 62 | R | 88.3 | Confident | 90.1 | Very high | 20 Ų | 20 | 44.6 Ų | 44.6 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -40.6 | -179.6 | -69.5 | 169.3 | -76.2 | -175.6 | -3.5 | 113.2 | E8 P55 I59 K60 K64 L65 G66 L67 V68 D258 | E8-R62 IonicContact OE2-CZ 3.1Å; E8-R62 IonicContact OE2-NH1 3.91Å; E8-R62 PolarHBondContact OE2-NH1 2.94Å; E8-R62 IonicContact OE2-NH2 3.03Å; E8-R62 PolarHBondContact OE2-NH2 3.14Å; P55-R62 WeakPolarHBondContact O-CD 3.47Å; P55-R62 PolarHBondContact O-NH1 3.29Å; I59-R62 HydrophobicContact CB-CG 4.03Å; I59-R62 HydrophobicContact CG2-CG 3.72Å; I59-R62 WeakPolarHBondContact O-CD 3.38Å; I59-R62 WeakPolarHBondContact O-CG 3.39Å; I59-R62 PolarHBondContact O-NE 3.14Å; K60-R62 VanDerWaalsContact C-N 3.26Å; K60-R62 PolarHBondContact O-N 2.73Å; R62-K64 PolarHBondContact O-N 3.48Å; R62-L65 CarbonylContact O-C 3.32Å; R62-L65 PolarHBondContact O-N 3.18Å; R62-G66 PolarHBondContact O-N 2.96Å; R62-L67 HydrophobicContact CB-CB 4.24Å; R62-L67 PolarHBondContact O-N 2.84Å; R62-V68 HydrophobicContact CB-CG2 3.63Å; R62-D258 IonicContact CZ-OD1 2.67Å; R62-D258 VanDerWaalsContact NH2-CG 3.29Å; R62-D258 IonicContact NH2-OD1 3.81Å; R62-D258 PolarHBondContact NH2-OD1 3.17Å; R62-D258 IonicContact NH2-OD2 3.86Å; R62-D258 PolarHBondContact NH2-OD2 3.26Å |
| 63 | G | 86.2 | Confident | 90 | Very high | 34 Ų | 34 | 46.9 Ų | 46.9 | 35% | 0.351 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -45.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | R61 L65 G66 | R61-G63 PolarHBondContact O-N 3.38Å; R61-G63 VanDerWaalsContact O-N 3.14Å; G63-L65 VanDerWaalsContact C-N 3.27Å; G63-L65 PolarHBondContact O-N 2.81Å; G63-G66 PolarHBondContact O-N 2.84Å; G63-G66 VanDerWaalsContact O-N 3.15Å |
| 64 | K | 85.5 | Confident | 89.8 | Confident | 120 Ų | 120 | 48.2 Ų | 48.2 | 52% | 0.522 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -25.6 | 177.6 | -60.8 | -159 | 173.6 | -162.7 | 0 | 113.2 | R61 R62 G66 V136 D137 | R61-K64 HydrophobicContact CB-CB 4.46Å; R61-K64 PolarHBondContact O-N 3.2Å; R62-K64 PolarHBondContact O-N 3.48Å; K64-G66 VanDerWaalsContact C-N 3.27Å; K64-V136 HydrophobicContact CD-CG1 4.27Å; K64-V136 WeakPolarHBondContact CE-O 3.47Å; K64-V136 HydrophobicContact CG-CG1 3.48Å; K64-V136 VanDerWaalsContact CG-CG1 3.48Å; K64-V136 PolarHBondContact NZ-O 2.89Å; K64-D137 WeakPolarHBondContact CE-OD1 3.47Å; K64-D137 IonicContact NZ-OD1 3.43Å; K64-D137 PolarHBondContact NZ-OD1 3.13Å |
| 65 | L | 87.1 | Confident | 89.6 | Confident | 65 Ų | 65 | 50.7 Ų | 50.7 | 34% | 0.34 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 0.5 | 175.9 | -63.6 | 172.2 | 0 | 0 | 0 | 112.9 | I59 R61 R62 G63 L67 F89 I91 | I59-L65 HydrophobicContact CG2-CD1 3.72Å; R61-L65 PolarHBondContact O-N 3.06Å; R61-L65 VanDerWaalsContact O-N 3.17Å; R62-L65 CarbonylContact O-C 3.32Å; R62-L65 PolarHBondContact O-N 3.18Å; G63-L65 VanDerWaalsContact C-N 3.27Å; G63-L65 PolarHBondContact O-N 2.81Å; L65-L67 VanDerWaalsContact C-N 3.25Å; L65-L67 HydrophobicContact CB-CD1 4.05Å; L65-L67 HydrophobicContact CB-CG 4.1Å; L65-L67 HydrophobicContact CD1-CD1 4.39Å; L65-L67 PolarHBondContact O-N 2.99Å; L65-F89 HydrophobicContact CB-CZ 4.45Å; L65-F89 HydrophobicContact CD1-CE1 4.45Å; L65-I91 HydrophobicContact CD1-CD1 3.72Å; L65-I91 HydrophobicContact CD1-CG1 4.06Å; L65-I91 HydrophobicContact CD1-CG2 4.32Å |
| 66 | G | 89.8 | Confident | 89.5 | Confident | 54 Ų | 54 | 54.2 Ų | 54.2 | 56% | 0.557 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 22.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R62 G63 K64 F69 | R62-G66 PolarHBondContact O-N 2.96Å; G63-G66 PolarHBondContact O-N 2.84Å; G63-G66 VanDerWaalsContact O-N 3.15Å; K64-G66 VanDerWaalsContact C-N 3.27Å; G66-F69 WeakPolarHBondContact O-CE1 3.4Å |
| 67 | L | 91.7 | Very high | 89.5 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | trans | -100.1 | 13.6 | -176.5 | -68.6 | 176.9 | 0 | 0 | 0 | 113.4 | P55 I59 R62 L65 F89 L98 | P55-L67 WeakPolarHBondContact CD-O 3.29Å; P55-L67 HydrophobicContact CG-CB 4.09Å; P55-L67 HydrophobicContact CG-CD1 4.33Å; P55-L67 HydrophobicContact CG-CD2 4.33Å; I59-L67 HydrophobicContact CD1-CD1 4.2Å; I59-L67 HydrophobicContact CG2-CD1 4.44Å; R62-L67 HydrophobicContact CB-CB 4.24Å; R62-L67 PolarHBondContact O-N 2.84Å; L65-L67 VanDerWaalsContact C-N 3.25Å; L65-L67 HydrophobicContact CB-CD1 4.05Å; L65-L67 HydrophobicContact CB-CG 4.1Å; L65-L67 HydrophobicContact CD1-CD1 4.39Å; L65-L67 PolarHBondContact O-N 2.99Å; L67-F89 HydrophobicContact CD1-CD1 4.06Å; L67-F89 HydrophobicContact CD1-CE1 3.61Å; L67-F89 HydrophobicContact CD1-CE2 4.28Å; L67-F89 HydrophobicContact CD1-CZ 3.73Å; L67-F89 HydrophobicContact CD2-CD2 4.22Å; L67-F89 HydrophobicContact CD2-CE2 3.77Å; L67-F89 HydrophobicContact CD2-CZ 3.98Å; L67-F89 HydrophobicContact CG-CE1 4.34Å; L67-F89 HydrophobicContact CG-CE2 4.26Å; L67-F89 HydrophobicContact CG-CZ 3.94Å; L67-L98 HydrophobicContact CD2-CD1 4.22Å | ||
| 68 | V | 93 | Very high | 89.6 | Confident | 53 Ų | 53 | 55.5 Ų | 55.5 | 32% | 0.321 | 31% | 0.306 | S | S | . | . | trans | -118.4 | 114.3 | 176.5 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | V52 K54 R62 A70 | V52-V68 HydrophobicContact CG1-CG1 3.83Å; K54-V68 HydrophobicContact CB-CG2 4.21Å; R62-V68 HydrophobicContact CB-CG2 3.63Å; V68-A70 HydrophobicContact CG1-CB 4.5Å | ||
| 69 | F | 93.7 | Very high | 89.7 | Confident | 20 Ų | 20 | 60.7 Ų | 60.7 | 9% | 0.088 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 90 | 179.2 | -45 | -57.9 | 0 | 0 | 0 | 108.8 | V52 S53 G66 F72 K80 L84 F101 | V52-F69 CarbonylContact C-O 3.58Å; V52-F69 VanDerWaalsContact CA-O 3.29Å; V52-F69 WeakPolarHBondContact CA-O 3.39Å; S53-F69 PolarHBondContact N-O 3.14Å; S53-F69 VanDerWaalsContact O-CD2 3.31Å; S53-F69 WeakPolarHBondContact O-CD2 3.25Å; S53-F69 PolarHBondContact O-N 3.18Å; G66-F69 WeakPolarHBondContact O-CE1 3.4Å; F69-F72 HydrophobicContact CB-CD2 4.25Å; F69-F72 HydrophobicContact CB-CE2 4.29Å; F69-F72 HydrophobicContact CB-CG 4.39Å; F69-F72 HydrophobicContact CB-CZ 4.42Å; F69-K80 HydrophobicContact CD1-CD 4.37Å; F69-K80 HydrophobicContact CD1-CG 4.35Å; F69-K80 HydrophobicContact CD2-CB 3.94Å; F69-K80 HydrophobicContact CD2-CG 4.47Å; F69-K80 HydrophobicContact CE1-CD 4.3Å; F69-K80 HydrophobicContact CE2-CB 4.11Å; F69-K80 HydrophobicContact CG-CB 4.25Å; F69-K80 HydrophobicContact CG-CG 4.29Å; F69-L84 HydrophobicContact CE1-CD1 4.41Å; F69-L84 HydrophobicContact CE2-CD1 3.63Å; F69-L84 HydrophobicContact CZ-CD1 3.28Å; F69-F101 HydrophobicContact CE2-CE1 4.21Å |
| 70 | A | 91.5 | Very high | 90 | Very high | 47 Ų | 47 | 64.5 Ų | 64.5 | 39% | 0.388 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 140.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L51 V52 V68 F72 F106 | L51-A70 CarbonylContact O-C 3.53Å; V52-A70 HydrophobicContact CG1-CB 4.45Å; V52-A70 HydrophobicContact CG2-CB 3.95Å; V68-A70 HydrophobicContact CG1-CB 4.5Å; A70-F72 WeakPolarHBondContact O-CD1 3.41Å; A70-F106 HydrophobicContact CB-CD2 4Å; A70-F106 HydrophobicContact CB-CE2 4.02Å |
| 71 | G | 90.6 | Very high | 90.4 | Very high | 29 Ų | 29 | 57.5 Ų | 57.5 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 85.1 | 12.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L51 | L51-G71 PolarHBondContact O-N 2.79Å |
| 72 | F | 92.1 | Very high | 90.7 | Very high | 63 Ų | 63 | 53.8 Ų | 53.8 | 28% | 0.276 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 147.2 | -174.9 | -79 | 38.8 | 0 | 0 | 0 | 110.4 | N50 L51 F69 A70 D76 S77 K80 | N50-F72 CarbonylContact C-O 3.53Å; N50-F72 WeakPolarHBondContact CA-O 2.87Å; L51-F72 PolarHBondContact N-O 2.66Å; L51-F72 PolarHBondContact O-N 3.47Å; F69-F72 HydrophobicContact CB-CD2 4.25Å; F69-F72 HydrophobicContact CB-CE2 4.29Å; F69-F72 HydrophobicContact CB-CG 4.39Å; F69-F72 HydrophobicContact CB-CZ 4.42Å; A70-F72 WeakPolarHBondContact O-CD1 3.41Å; F72-D76 HydrophobicContact CB-CB 4.1Å; F72-D76 HydrophobicContact CD2-CB 3.49Å; F72-D76 VanDerWaalsContact CD2-CB 3.49Å; F72-D76 HydrophobicContact CE2-CB 4.2Å; F72-D76 HydrophobicContact CG-CB 4.08Å; F72-S77 WeakPolarHBondContact CB-OG 3.41Å; F72-K80 HydrophobicContact CD2-CG 4.35Å; F72-K80 HydrophobicContact CE2-CG 3.84Å |
| 73 | N | 92.2 | Very high | 90.8 | Very high | 70 Ų | 70 | 56.5 Ų | 56.5 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | trans | -75.4 | 170.2 | 164 | 64.4 | 54.6 | 0 | 0 | 0 | 110.1 | A75 D76 S77 | N73-A75 VanDerWaalsContact C-N 3.32Å; N73-A75 PolarHBondContact O-N 3.48Å; N73-A75 WeakPolarHBondContact OD1-CA 3.25Å; N73-A75 WeakPolarHBondContact OD1-CB 3.22Å; N73-A75 PolarHBondContact OD1-N 3.4Å; N73-D76 PolarHBondContact ND2-OD2 2.98Å; N73-D76 PolarHBondContact O-N 2.85Å; N73-D76 PolarHBondContact OD1-N 3.49Å; N73-D76 PolarHBondContact OD1-OD2 3.34Å; N73-S77 PolarHBondContact O-N 2.99Å | ||
| 74 | W | 91.9 | Very high | 91 | Very high | 27 Ų | 27 | 56.6 Ų | 56.6 | 10% | 0.102 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.7 | -40.5 | -179.6 | 176.8 | -128.1 | 0 | 0 | 0 | 114.1 | V38 V41 I46 L47 L51 D76 S77 Q78 I81 I103 | V38-W74 HydrophobicContact CG1-CH2 3.89Å; V38-W74 HydrophobicContact CG1-CZ2 4.32Å; V38-W74 VanDerWaalsContact O-CZ2 3.31Å; V38-W74 WeakPolarHBondContact O-CZ2 3.38Å; V41-W74 HydrophobicContact CB-CH2 3.94Å; V41-W74 HydrophobicContact CB-CZ2 3.62Å; V41-W74 HydrophobicContact CG1-CH2 4.13Å; V41-W74 HydrophobicContact CG1-CZ2 4.06Å; V41-W74 HydrophobicContact CG2-CH2 3.99Å; V41-W74 HydrophobicContact CG2-CZ2 4.07Å; I46-W74 HydrophobicContact CG2-CB 4.14Å; I46-W74 HydrophobicContact CG2-CD2 3.53Å; I46-W74 HydrophobicContact CG2-CE3 3.36Å; I46-W74 HydrophobicContact CG2-CG 3.87Å; I46-W74 HydrophobicContact CG2-CZ3 4.02Å; L47-W74 HydrophobicContact CD2-CB 4.47Å; L47-W74 VanDerWaalsContact CD2-CD1 3.44Å; L47-W74 HydrophobicContact CD2-CG 4.07Å; L51-W74 HydrophobicContact CD1-CB 4.18Å; L51-W74 HydrophobicContact CD1-CE3 3.92Å; W74-D76 VanDerWaalsContact C-N 3.35Å; W74-D76 PolarHBondContact O-N 3.15Å; W74-S77 PolarHBondContact O-N 2.96Å; W74-Q78 HydrophobicContact CD2-CB 4.31Å; W74-Q78 HydrophobicContact CE3-CB 4.46Å; W74-Q78 HydrophobicContact CH2-CB 4.27Å; W74-Q78 HydrophobicContact CH2-CG 4.46Å; W74-Q78 HydrophobicContact CZ2-CB 4.1Å; W74-Q78 HydrophobicContact CZ2-CG 4.1Å; W74-Q78 HydrophobicContact CZ3-CB 4.43Å; W74-Q78 WeakPolarHBondContact O-CB 3.46Å; W74-Q78 PolarHBondContact O-N 3.15Å; W74-I81 HydrophobicContact CZ3-CD1 4.42Å; W74-I103 HydrophobicContact CH2-CD1 4.06Å; W74-I103 HydrophobicContact CZ3-CD1 3.62Å |
| 75 | A | 90.3 | Very high | 91.2 | Very high | 61 Ų | 61 | 52.1 Ų | 52.1 | 50% | 0.504 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | N73 K79 | N73-A75 VanDerWaalsContact C-N 3.32Å; N73-A75 PolarHBondContact O-N 3.48Å; N73-A75 WeakPolarHBondContact OD1-CA 3.25Å; N73-A75 WeakPolarHBondContact OD1-CB 3.22Å; N73-A75 PolarHBondContact OD1-N 3.4Å; A75-K79 WeakPolarHBondContact O-CB 3.09Å; A75-K79 PolarHBondContact O-N 2.92Å |
| 76 | D | 92.6 | Very high | 91.2 | Very high | 74 Ų | 74 | 51.7 Ų | 51.7 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.9 | -43.6 | 177.9 | -66.9 | -43.2 | 0 | 0 | 0 | 111.7 | F72 N73 W74 K79 K80 | F72-D76 HydrophobicContact CB-CB 4.1Å; F72-D76 HydrophobicContact CD2-CB 3.49Å; F72-D76 VanDerWaalsContact CD2-CB 3.49Å; F72-D76 HydrophobicContact CE2-CB 4.2Å; F72-D76 HydrophobicContact CG-CB 4.08Å; N73-D76 PolarHBondContact ND2-OD2 2.98Å; N73-D76 PolarHBondContact O-N 2.85Å; N73-D76 PolarHBondContact OD1-N 3.49Å; N73-D76 PolarHBondContact OD1-OD2 3.34Å; W74-D76 VanDerWaalsContact C-N 3.35Å; W74-D76 PolarHBondContact O-N 3.15Å; D76-K79 PolarHBondContact O-N 3.17Å; D76-K80 PolarHBondContact O-N 3.17Å |
| 77 | S | 91.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 173.8 | -81.1 | 0 | 0 | 0 | 0 | 111.5 | S53 F72 N73 W74 K79 K80 I81 | S53-S77 WeakPolarHBondContact OG-CB 3.49Å; S53-S77 PolarHBondContact OG-OG 3.41Å; F72-S77 WeakPolarHBondContact CB-OG 3.41Å; N73-S77 PolarHBondContact O-N 2.99Å; W74-S77 PolarHBondContact O-N 2.96Å; S77-K79 VanDerWaalsContact C-N 3.34Å; S77-K79 PolarHBondContact O-N 2.96Å; S77-K80 PolarHBondContact O-N 2.84Å; S77-I81 WeakPolarHBondContact O-CB 3.39Å; S77-I81 VanDerWaalsContact O-CG1 3.27Å; S77-I81 WeakPolarHBondContact O-CG1 3.49Å; S77-I81 PolarHBondContact O-N 3.43Å |
| 78 | Q | 91.3 | Very high | 90.8 | Very high | 40 Ų | 40 | 58.2 Ų | 58.2 | 19% | 0.187 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 178.5 | -173.4 | -171.7 | 21.2 | 0 | 0 | 111.3 | V38 W74 I81 K82 | V38-Q78 HydrophobicContact CG1-CG 4.01Å; W74-Q78 HydrophobicContact CD2-CB 4.31Å; W74-Q78 HydrophobicContact CE3-CB 4.46Å; W74-Q78 HydrophobicContact CH2-CB 4.27Å; W74-Q78 HydrophobicContact CH2-CG 4.46Å; W74-Q78 HydrophobicContact CZ2-CB 4.1Å; W74-Q78 HydrophobicContact CZ2-CG 4.1Å; W74-Q78 HydrophobicContact CZ3-CB 4.43Å; W74-Q78 WeakPolarHBondContact O-CB 3.46Å; W74-Q78 PolarHBondContact O-N 3.15Å; Q78-I81 PolarHBondContact O-N 3Å; Q78-K82 HydrophobicContact CG-CD 4.26Å; Q78-K82 VanDerWaalsContact NE2-NZ 3.18Å; Q78-K82 WeakPolarHBondContact O-CB 3.36Å; Q78-K82 WeakPolarHBondContact O-CG 3.46Å; Q78-K82 PolarHBondContact O-N 2.81Å |
| 79 | K | 91.6 | Very high | 90.5 | Very high | 158 Ų | 158 | 58 Ų | 58 | 69% | 0.687 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.7 | -43.4 | 177.2 | -175.3 | 178.2 | 179 | 179.8 | 0 | 111.7 | A75 D76 S77 S83 | A75-K79 WeakPolarHBondContact O-CB 3.09Å; A75-K79 PolarHBondContact O-N 2.92Å; D76-K79 PolarHBondContact O-N 3.17Å; S77-K79 VanDerWaalsContact C-N 3.34Å; S77-K79 PolarHBondContact O-N 2.96Å; K79-S83 PolarHBondContact O-N 3.49Å; K79-S83 VanDerWaalsContact O-N 3.15Å; K79-S83 PolarHBondContact O-OG 3.12Å |
| 80 | K | 91.5 | Very high | 89.9 | Confident | 88 Ų | 88 | 60.9 Ų | 60.9 | 38% | 0.383 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.2 | -48.3 | 176.8 | -74.6 | -68 | -174.6 | 174.9 | 0 | 112.1 | F69 F72 D76 S77 K82 S83 L84 | F69-K80 HydrophobicContact CD1-CD 4.37Å; F69-K80 HydrophobicContact CD1-CG 4.35Å; F69-K80 HydrophobicContact CD2-CB 3.94Å; F69-K80 HydrophobicContact CD2-CG 4.47Å; F69-K80 HydrophobicContact CE1-CD 4.3Å; F69-K80 HydrophobicContact CE2-CB 4.11Å; F69-K80 HydrophobicContact CG-CB 4.25Å; F69-K80 HydrophobicContact CG-CG 4.29Å; F72-K80 HydrophobicContact CD2-CG 4.35Å; F72-K80 HydrophobicContact CE2-CG 3.84Å; D76-K80 PolarHBondContact O-N 3.17Å; S77-K80 PolarHBondContact O-N 2.84Å; K80-K82 PolarHBondContact O-N 2.89Å; K80-S83 PolarHBondContact O-N 3.18Å; K80-S83 VanDerWaalsContact O-N 3.15Å; K80-S83 PolarHBondContact O-OG 2.87Å; K80-L84 PolarHBondContact O-N 3.37Å |
| 81 | I | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.7 | -50.4 | 178 | -66.7 | 165.9 | 0 | 0 | 0 | 109.9 | V32 V38 W74 S77 Q78 S83 L84 L85 F101 I103 | V32-I81 HydrophobicContact CG1-CG2 4.3Å; V38-I81 HydrophobicContact CG1-CG2 4.16Å; V38-I81 HydrophobicContact CG2-CG2 4.4Å; W74-I81 HydrophobicContact CZ3-CD1 4.42Å; S77-I81 WeakPolarHBondContact O-CB 3.39Å; S77-I81 VanDerWaalsContact O-CG1 3.27Å; S77-I81 WeakPolarHBondContact O-CG1 3.49Å; S77-I81 PolarHBondContact O-N 3.43Å; Q78-I81 PolarHBondContact O-N 3Å; I81-S83 PolarHBondContact O-N 3.18Å; I81-L84 PolarHBondContact O-N 2.78Å; I81-L85 VanDerWaalsContact O-CB 3.25Å; I81-L85 WeakPolarHBondContact O-CB 3.45Å; I81-L85 PolarHBondContact O-N 3.13Å; I81-F101 HydrophobicContact CD1-CB 4.46Å; I81-F101 HydrophobicContact CG1-CB 4.29Å; I81-F101 HydrophobicContact CG1-CD1 4.07Å; I81-F101 HydrophobicContact CG1-CG 4.14Å; I81-F101 HydrophobicContact CG2-CB 4.33Å; I81-F101 HydrophobicContact CG2-CD2 4.11Å; I81-F101 HydrophobicContact CG2-CG 4.16Å; I81-I103 HydrophobicContact CD1-CD1 3.99Å; I81-I103 HydrophobicContact CD1-CG1 3.94Å |
| 82 | K | 90.1 | Very high | 87.9 | Confident | 102 Ų | 102 | 62.6 Ų | 62.6 | 44% | 0.443 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58 | -32.2 | 177.8 | -77.3 | -178.8 | 174.7 | 177.2 | 0 | 113.5 | V38 S39 Q78 K80 | V38-K82 HydrophobicContact CB-CG 4.27Å; V38-K82 HydrophobicContact CG2-CG 4.19Å; S39-K82 PolarHBondContact OG-NZ 2.82Å; Q78-K82 HydrophobicContact CG-CD 4.26Å; Q78-K82 VanDerWaalsContact NE2-NZ 3.18Å; Q78-K82 WeakPolarHBondContact O-CB 3.36Å; Q78-K82 WeakPolarHBondContact O-CG 3.46Å; Q78-K82 PolarHBondContact O-N 2.81Å; K80-K82 PolarHBondContact O-N 2.89Å |
| 83 | S | 90.3 | Very high | 86 | Confident | 77 Ų | 77 | 61.6 Ų | 61.6 | 54% | 0.538 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -76.7 | -22.7 | 178.5 | 71.5 | 0 | 0 | 0 | 0 | 114.3 | K79 K80 I81 | K79-S83 PolarHBondContact O-N 3.49Å; K79-S83 VanDerWaalsContact O-N 3.15Å; K79-S83 PolarHBondContact O-OG 3.12Å; K80-S83 PolarHBondContact O-N 3.18Å; K80-S83 VanDerWaalsContact O-N 3.15Å; K80-S83 PolarHBondContact O-OG 2.87Å; I81-S83 PolarHBondContact O-N 3.18Å |
| 84 | L | 91.4 | Very high | 84.5 | Confident | 36 Ų | 36 | 59.8 Ų | 59.8 | 19% | 0.188 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -111.2 | -24.4 | -174.7 | -67.4 | 172.4 | 0 | 0 | 0 | 113.4 | F69 K80 I81 A86 S87 L98 F101 | F69-L84 HydrophobicContact CE1-CD1 4.41Å; F69-L84 HydrophobicContact CE2-CD1 3.63Å; F69-L84 HydrophobicContact CZ-CD1 3.28Å; K80-L84 PolarHBondContact O-N 3.37Å; I81-L84 PolarHBondContact O-N 2.78Å; L84-A86 PolarHBondContact O-N 3.34Å; L84-S87 WeakPolarHBondContact O-CB 3.32Å; L84-S87 PolarHBondContact O-N 2.98Å; L84-S87 PolarHBondContact O-OG 3.03Å; L84-L98 HydrophobicContact CB-CD1 4.28Å; L84-F101 HydrophobicContact CB-CE1 4.48Å; L84-F101 HydrophobicContact CB-CE2 4.28Å; L84-F101 HydrophobicContact CB-CZ 3.62Å; L84-F101 HydrophobicContact CD1-CZ 4.34Å |
| 85 | L | 88.9 | Confident | 83.7 | Confident | 27 Ų | 27 | 61.4 Ų | 61.4 | 14% | 0.141 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 133.6 | 175 | -165.8 | 71.1 | 0 | 0 | 0 | 109.2 | V32 L34 V38 I81 S87 L98 F101 | V32-L85 HydrophobicContact CG1-CD2 4.5Å; L34-L85 HydrophobicContact CD1-CG 4.25Å; V38-L85 HydrophobicContact CG2-CD2 4.05Å; I81-L85 VanDerWaalsContact O-CB 3.25Å; I81-L85 WeakPolarHBondContact O-CB 3.45Å; I81-L85 PolarHBondContact O-N 3.13Å; L85-S87 PolarHBondContact O-N 3.25Å; L85-L98 CarbonylContact C-O 3.6Å; L85-L98 WeakPolarHBondContact CA-O 3.06Å; L85-F101 HydrophobicContact CB-CE2 4.42Å; L85-F101 HydrophobicContact CD1-CD2 3.85Å; L85-F101 HydrophobicContact CD1-CE2 4.14Å |
| 86 | A | 86.7 | Confident | 83.2 | Confident | 56 Ų | 56 | 58.8 Ų | 58.8 | 46% | 0.463 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | -0.6 | -171 | 0 | 0 | 0 | 0 | 0 | 116.1 | L34 L84 L98 | L34-A86 HydrophobicContact CD1-CB 3.62Å; L84-A86 PolarHBondContact O-N 3.34Å; A86-L98 PolarHBondContact N-O 3Å |
| 87 | S | 88.2 | Confident | 82.9 | Confident | 32 Ų | 32 | 59 Ų | 59 | 22% | 0.224 | 33% | 0.331 | C | S | . | . | trans | -75.5 | 146.1 | 176.6 | 73.7 | 0 | 0 | 0 | 0 | 111.3 | L84 L85 I97 L98 | L84-S87 WeakPolarHBondContact O-CB 3.32Å; L84-S87 PolarHBondContact O-N 2.98Å; L84-S87 PolarHBondContact O-OG 3.03Å; L85-S87 PolarHBondContact O-N 3.25Å; S87-I97 WeakPolarHBondContact O-CA 3.27Å; S87-L98 PolarHBondContact O-N 3.27Å | ||
| 88 | K | 86.2 | Confident | 82.8 | Confident | 163 Ų | 163 | 59 Ų | 59 | 71% | 0.709 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 132.4 | 168 | -70.8 | -175.7 | 179.5 | -177.2 | 0 | 109 | G96 I97 | K88-G96 CarbonylContact C-O 3.44Å; K88-G96 WeakPolarHBondContact CA-O 3.17Å; K88-I97 HydrophobicContact CG-CG1 4.21Å |
| 89 | F | 85.8 | Confident | 82.8 | Confident | 48 Ų | 48 | 60.2 Ų | 60.2 | 21% | 0.211 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 136.8 | 177.2 | -162.6 | -91.2 | 0 | 0 | 0 | 109.6 | L65 L67 I91 C95 G96 L98 F290 | L65-F89 HydrophobicContact CB-CZ 4.45Å; L65-F89 HydrophobicContact CD1-CE1 4.45Å; L67-F89 HydrophobicContact CD1-CD1 4.06Å; L67-F89 HydrophobicContact CD1-CE1 3.61Å; L67-F89 HydrophobicContact CD1-CE2 4.28Å; L67-F89 HydrophobicContact CD1-CZ 3.73Å; L67-F89 HydrophobicContact CD2-CD2 4.22Å; L67-F89 HydrophobicContact CD2-CE2 3.77Å; L67-F89 HydrophobicContact CD2-CZ 3.98Å; L67-F89 HydrophobicContact CG-CE1 4.34Å; L67-F89 HydrophobicContact CG-CE2 4.26Å; L67-F89 HydrophobicContact CG-CZ 3.94Å; F89-I91 HydrophobicContact CD1-CD1 4.16Å; F89-I91 HydrophobicContact CD1-CG1 3.71Å; F89-I91 HydrophobicContact CE1-CD1 4.23Å; F89-I91 HydrophobicContact CE1-CG1 3.73Å; F89-C95 WeakPolarHBondContact O-CA 3.47Å; F89-G96 PolarHBondContact N-O 3.09Å; F89-G96 PolarHBondContact O-N 3.34Å; F89-L98 HydrophobicContact CB-CD1 4.05Å; F89-L98 HydrophobicContact CB-CD2 4.07Å; F89-L98 HydrophobicContact CB-CG 3.89Å; F89-L98 HydrophobicContact CD2-CD1 4.29Å; F89-L98 HydrophobicContact CG-CD1 4.3Å; F89-F290 HydrophobicContact CB-CZ 4.09Å; F89-F290 WeakPolarHBondContact O-CE1 3.4Å; F89-F290 WeakPolarHBondContact O-CZ 3.47Å |
| 90 | T | 81.2 | Confident | 82.8 | Confident | 80 Ų | 80 | 53.1 Ų | 53.1 | 49% | 0.491 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 127.6 | -174.7 | -53.1 | 0 | 0 | 0 | 0 | 109.9 | G92 T94 | T90-G92 WeakPolarHBondContact CG2-O 3.41Å; T90-T94 CarbonylContact C-O 3.54Å; T90-T94 WeakPolarHBondContact CA-O 3.36Å |
| 91 | I | 72.8 | Confident | 83 | Confident | 48 Ų | 48 | 49 Ų | 49 | 25% | 0.246 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 106.4 | 177.6 | -54.5 | 175.5 | 0 | 0 | 0 | 107.6 | I59 L65 F89 S93 T94 F290 | I59-I91 HydrophobicContact CB-CD1 4.09Å; I59-I91 HydrophobicContact CD1-CD1 3.83Å; I59-I91 HydrophobicContact CG1-CD1 3.6Å; I59-I91 HydrophobicContact CG2-CD1 3.39Å; L65-I91 HydrophobicContact CD1-CD1 3.72Å; L65-I91 HydrophobicContact CD1-CG1 4.06Å; L65-I91 HydrophobicContact CD1-CG2 4.32Å; F89-I91 HydrophobicContact CD1-CD1 4.16Å; F89-I91 HydrophobicContact CD1-CG1 3.71Å; F89-I91 HydrophobicContact CE1-CD1 4.23Å; F89-I91 HydrophobicContact CE1-CG1 3.73Å; I91-S93 PolarHBondContact O-N 3.09Å; I91-T94 PolarHBondContact N-O 3.42Å; I91-T94 WeakPolarHBondContact O-CB 3.42Å; I91-T94 PolarHBondContact O-N 2.81Å; I91-F290 HydrophobicContact CD1-CD1 3.89Å; I91-F290 HydrophobicContact CD1-CE1 3.86Å; I91-F290 HydrophobicContact CG1-CD1 4.41Å; I91-F290 HydrophobicContact CG1-CE1 4.07Å |
| 92 | G | 67.1 | Low | 83.1 | Confident | 64 Ų | 64 | 49 Ų | 49 | 66% | 0.66 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | -119.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | T90 | T90-G92 WeakPolarHBondContact CG2-O 3.41Š|
| 93 | S | 52.5 | Low | 83.3 | Confident | 42 Ų | 42 | 44.1 Ų | 44.1 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -15.3 | 176 | 49.6 | 0 | 0 | 0 | 0 | 114.8 | I91 A852 N853 | I91-S93 PolarHBondContact O-N 3.09Å; S93-A852 WeakPolarHBondContact CB-O 3.11Å; S93-N853 VanDerWaalsContact CB-OD1 3.3Å; S93-N853 WeakPolarHBondContact CB-OD1 3.22Å; S93-N853 PolarHBondContact OG-OD1 3.29Å |
| 94 | T | 61.2 | Low | 83.5 | Confident | 32 Ų | 32 | 40.7 Ų | 40.7 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 116.4 | -171.1 | -57.3 | 0 | 0 | 0 | 0 | 110.1 | T90 I91 F290 | T90-T94 CarbonylContact C-O 3.54Å; T90-T94 WeakPolarHBondContact CA-O 3.36Å; I91-T94 PolarHBondContact N-O 3.42Å; I91-T94 WeakPolarHBondContact O-CB 3.42Å; I91-T94 PolarHBondContact O-N 2.81Å; T94-F290 HydrophobicContact CG2-CD1 3.88Å; T94-F290 WeakPolarHBondContact CG2-O 3.41Å |
| 95 | C | 73.9 | Confident | 83.5 | Confident | 61 Ų | 61 | 39.1 Ų | 39.1 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 120.7 | 172.1 | -174.1 | 0 | 0 | 0 | 0 | 109.7 | F89 G291 | F89-C95 WeakPolarHBondContact O-CA 3.47Å; C95-G291 WeakPolarHBondContact O-CA 3.31Å |
| 96 | G | 80 | Confident | 83.7 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 7% | 0.072 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 172.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K88 F89 F290 | K88-G96 CarbonylContact C-O 3.44Å; K88-G96 WeakPolarHBondContact CA-O 3.17Å; F89-G96 PolarHBondContact N-O 3.09Å; F89-G96 PolarHBondContact O-N 3.34Å; G96-F290 VanDerWaalsContact CA-CZ 3.44Å |
| 97 | I | 86.5 | Confident | 83.9 | Confident | 78 Ų | 78 | 39.2 Ų | 39.2 | 40% | 0.4 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 137.9 | 173.8 | -62.3 | 173.5 | 0 | 0 | 0 | 108.1 | S87 K88 D99 | S87-I97 WeakPolarHBondContact O-CA 3.27Å; K88-I97 HydrophobicContact CG-CG1 4.21Å; I97-D99 HydrophobicContact CG2-CB 4.42Å; I97-D99 PolarHBondContact O-N 2.95Å |
| 98 | L | 90.1 | Very high | 84 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -84 | 95.6 | 169.1 | -57.3 | -178.9 | 0 | 0 | 0 | 108.7 | P55 V57 I59 L67 L84 L85 A86 S87 F89 F101 F290 | P55-L98 HydrophobicContact CB-CD2 4.11Å; P55-L98 HydrophobicContact CG-CD1 4.39Å; P55-L98 HydrophobicContact CG-CD2 4.26Å; V57-L98 HydrophobicContact CG2-CD2 4Å; I59-L98 HydrophobicContact CD1-CD2 3.69Å; L67-L98 HydrophobicContact CD2-CD1 4.22Å; L84-L98 HydrophobicContact CB-CD1 4.28Å; L85-L98 CarbonylContact C-O 3.6Å; L85-L98 WeakPolarHBondContact CA-O 3.06Å; A86-L98 PolarHBondContact N-O 3Å; S87-L98 PolarHBondContact O-N 3.27Å; F89-L98 HydrophobicContact CB-CD1 4.05Å; F89-L98 HydrophobicContact CB-CD2 4.07Å; F89-L98 HydrophobicContact CB-CG 3.89Å; F89-L98 HydrophobicContact CD2-CD1 4.29Å; F89-L98 HydrophobicContact CG-CD1 4.3Å; L98-F101 HydrophobicContact CB-CE2 4.07Å; L98-F101 HydrophobicContact CB-CZ 4.28Å; L98-F101 HydrophobicContact CD1-CZ 4.23Å; L98-F290 HydrophobicContact CD2-CE2 3.92Å; L98-F290 HydrophobicContact CD2-CZ 4.23Å | ||
| 99 | D | 90.3 | Very high | 84.2 | Confident | 66 Ų | 66 | 35.8 Ų | 35.8 | 35% | 0.353 | 21% | 0.214 | S | C | . | . | trans | -109 | -4.1 | -175.5 | 62.7 | -1.6 | 0 | 0 | 0 | 113.8 | K33 L34 V57 I97 | K33-D99 CarbonylContact C-O 3.59Å; K33-D99 WeakPolarHBondContact CA-O 3.3Å; L34-D99 HydrophobicContact CB-CB 3.86Å; L34-D99 HydrophobicContact CD2-CB 4.24Å; L34-D99 PolarHBondContact N-O 2.91Å; V57-D99 WeakPolarHBondContact CG1-OD1 3.48Å; I97-D99 HydrophobicContact CG2-CB 4.42Å; I97-D99 PolarHBondContact O-N 2.95Å | ||
| 100 | R | 93 | Very high | 84.5 | Confident | 9 Ų | 9 | 39 Ų | 39 | 3% | 0.034 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 126.9 | -176.2 | -176.7 | 178.9 | 162.6 | 120.4 | 5.8 | 111.7 | E9 V31 V32 P55 D56 V57 | E9-R100 VanDerWaalsContact CB-NH2 3.29Å; E9-R100 IonicContact OE2-CZ 2.77Å; E9-R100 IonicContact OE2-NH1 3.33Å; E9-R100 IonicContact OE2-NH2 2.9Å; E9-R100 PolarHBondContact OE2-NH2 2.75Å; V31-R100 HydrophobicContact CG1-CG 3.6Å; V32-R100 WeakPolarHBondContact O-CA 3.29Å; P55-R100 WeakPolarHBondContact CA-O 3.2Å; D56-R100 HydrophobicContact CB-CG 4.25Å; D56-R100 PolarHBondContact N-O 2.81Å; D56-R100 VanDerWaalsContact O-CD 3.31Å; D56-R100 WeakPolarHBondContact O-CD 3.39Å; D56-R100 IonicContact OD2-CZ 3.32Å; D56-R100 IonicContact OD2-NE 2.69Å; D56-R100 PolarHBondContact OD2-NE 2.76Å; D56-R100 IonicContact OD2-NH2 3.54Å; D56-R100 PolarHBondContact OD2-NH2 3.32Å; V57-R100 HydrophobicContact CG1-CB 3.89Å |
| 101 | F | 94.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.6 | 174.5 | -77.6 | -99.5 | 0 | 0 | 0 | 110.8 | V31 V32 K54 P55 F69 I81 L84 L85 L98 | V31-F101 WeakPolarHBondContact CA-O 3.33Å; V32-F101 PolarHBondContact N-O 2.88Å; V32-F101 PolarHBondContact O-N 3.06Å; K54-F101 WeakPolarHBondContact O-CA 3.46Å; P55-F101 HydrophobicContact CB-CE1 4.39Å; P55-F101 HydrophobicContact CG-CD1 4.21Å; P55-F101 HydrophobicContact CG-CE1 3.61Å; P55-F101 HydrophobicContact CG-CZ 3.95Å; F69-F101 HydrophobicContact CE2-CE1 4.21Å; I81-F101 HydrophobicContact CD1-CB 4.46Å; I81-F101 HydrophobicContact CG1-CB 4.29Å; I81-F101 HydrophobicContact CG1-CD1 4.07Å; I81-F101 HydrophobicContact CG1-CG 4.14Å; I81-F101 HydrophobicContact CG2-CB 4.33Å; I81-F101 HydrophobicContact CG2-CD2 4.11Å; I81-F101 HydrophobicContact CG2-CG 4.16Å; L84-F101 HydrophobicContact CB-CE1 4.48Å; L84-F101 HydrophobicContact CB-CE2 4.28Å; L84-F101 HydrophobicContact CB-CZ 3.62Å; L84-F101 HydrophobicContact CD1-CZ 4.34Å; L85-F101 HydrophobicContact CB-CE2 4.42Å; L85-F101 HydrophobicContact CD1-CD2 3.85Å; L85-F101 HydrophobicContact CD1-CE2 4.14Å; L98-F101 HydrophobicContact CB-CE2 4.07Å; L98-F101 HydrophobicContact CB-CZ 4.28Å; L98-F101 HydrophobicContact CD1-CZ 4.23Å |
| 102 | L | 94.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 129.6 | 170.5 | 179.7 | 60.7 | 0 | 0 | 0 | 109.3 | E8 E9 L29 V31 S53 K54 D56 E104 | E8-L102 HydrophobicContact CB-CD2 4.26Å; E8-L102 HydrophobicContact CG-CD2 3.96Å; E9-L102 HydrophobicContact CB-CD1 4.05Å; E9-L102 HydrophobicContact CG-CD1 4.36Å; L29-L102 HydrophobicContact CB-CD1 4.16Å; L29-L102 HydrophobicContact CD2-CD1 4.36Å; V31-L102 HydrophobicContact CG2-CD1 4.16Å; S53-L102 WeakPolarHBondContact CA-O 3.33Å; K54-L102 PolarHBondContact N-O 3.18Å; K54-L102 PolarHBondContact O-N 2.76Å; D56-L102 HydrophobicContact CB-CB 3.88Å; L102-E104 HydrophobicContact CD1-CG 4.39Å; L102-E104 HydrophobicContact CD2-CG 4.25Å; L102-E104 WeakPolarHBondContact CD2-OE2 2.93Å; L102-E104 HydrophobicContact CG-CG 3.92Å |
| 103 | I | 94.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131.3 | 175.7 | -55.4 | 159.5 | 0 | 0 | 0 | 107.8 | R30 V32 W45 I46 L51 V52 W74 I81 | R30-I103 HydrophobicContact CB-CB 4.34Å; R30-I103 HydrophobicContact CG-CD1 4.42Å; R30-I103 PolarHBondContact N-O 2.76Å; R30-I103 PolarHBondContact O-N 2.96Å; V32-I103 HydrophobicContact CG2-CD1 3.62Å; W45-I103 HydrophobicContact CH2-CG2 4.21Å; I46-I103 HydrophobicContact CD1-CG2 4.3Å; I46-I103 HydrophobicContact CG1-CG2 4.48Å; L51-I103 HydrophobicContact CB-CG2 4.4Å; L51-I103 HydrophobicContact CD1-CG2 4.11Å; L51-I103 HydrophobicContact CD2-CG2 4.39Å; V52-I103 WeakPolarHBondContact O-CA 3.33Å; W74-I103 HydrophobicContact CH2-CD1 4.06Å; W74-I103 HydrophobicContact CZ3-CD1 3.62Å; I81-I103 HydrophobicContact CD1-CD1 3.99Å; I81-I103 HydrophobicContact CD1-CG1 3.94Å |
| 104 | E | 93.4 | Very high | 88.9 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 2% | 0.023 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 159.7 | 180 | -53.1 | -171.5 | 63.8 | 0 | 0 | 109.7 | K12 L29 L51 V52 K54 L102 | K12-E104 IonicContact NZ-OE1 2.76Å; K12-E104 PolarHBondContact NZ-OE1 3.27Å; K12-E104 IonicContact NZ-OE2 2.72Å; K12-E104 PolarHBondContact NZ-OE2 3.49Å; L29-E104 HydrophobicContact CD2-CG 3.71Å; L29-E104 WeakPolarHBondContact CD2-OE1 3.38Å; L51-E104 CarbonylContact C-O 3.52Å; L51-E104 VanDerWaalsContact CA-O 3.3Å; L51-E104 WeakPolarHBondContact CA-O 3.03Å; V52-E104 PolarHBondContact N-O 3.19Å; V52-E104 PolarHBondContact O-N 2.86Å; K54-E104 WeakPolarHBondContact CE-OE2 3.37Å; K54-E104 IonicContact NZ-OE2 3.76Å; K54-E104 PolarHBondContact NZ-OE2 3.35Å; L102-E104 HydrophobicContact CD1-CG 4.39Å; L102-E104 HydrophobicContact CD2-CG 4.25Å; L102-E104 WeakPolarHBondContact CD2-OE2 2.93Å; L102-E104 HydrophobicContact CG-CG 3.92Å |
| 105 | P | 92.1 | Very high | 90.5 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 140.7 | 170.3 | -14.5 | 26.7 | 0 | 0 | 0 | 111.6 | P28 W45 V107 M220 | P28-P105 HydrophobicContact CG-CG 3.84Å; P28-P105 WeakPolarHBondContact O-CD 3.48Å; W45-P105 HydrophobicContact CE3-CG 3.84Å; W45-P105 HydrophobicContact CH2-CG 4.49Å; W45-P105 HydrophobicContact CZ3-CB 4.44Å; W45-P105 VanDerWaalsContact CZ3-CD 3.48Å; W45-P105 HydrophobicContact CZ3-CG 3.64Å; P105-V107 PolarHBondContact O-N 3.36Å; P105-M220 HydrophobicContact CB-CE 3.29Å; P105-M220 HydrophobicContact CG-CE 3.36Å; P105-M220 HydrophobicContact CG-SD 4.33Å |
| 106 | F | 92.4 | Very high | 91.6 | Very high | 72 Ų | 72 | 37.9 Ų | 37.9 | 32% | 0.316 | 19% | 0.188 | S | C | . | . | trans | -71.1 | 125 | 168.6 | 179.3 | -108.2 | 0 | 0 | 0 | 109.6 | N50 V52 A70 P108 | N50-F106 HydrophobicContact CB-CB 3.93Å; N50-F106 HydrophobicContact CB-CD1 4.32Å; N50-F106 HydrophobicContact CB-CG 4.48Å; N50-F106 WeakPolarHBondContact O-CB 2.98Å; N50-F106 PolarHBondContact O-N 3.03Å; V52-F106 HydrophobicContact CG2-CB 4.14Å; V52-F106 HydrophobicContact CG2-CD2 3.82Å; V52-F106 HydrophobicContact CG2-CG 4.49Å; A70-F106 HydrophobicContact CB-CD2 4Å; A70-F106 HydrophobicContact CB-CE2 4.02Å; F106-P108 HydrophobicContact CD1-CG 3.98Å; F106-P108 HydrophobicContact CE1-CB 4.07Å; F106-P108 HydrophobicContact CE1-CG 3.87Å; F106-P108 WeakPolarHBondContact O-CD 3.31Å | ||
| 107 | V | 91.3 | Very high | 92.3 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | trans | -101.9 | 108.2 | 175.1 | -179.7 | 0 | 0 | 0 | 0 | 107.6 | P105 H109 C216 L257 | P105-V107 PolarHBondContact O-N 3.36Å; V107-H109 PolarHBondContact O-N 2.75Å; V107-H109 PolarHBondContact O-ND1 2.99Å; V107-C216 VanDerWaalsContact CG1-SG 3.51Å; V107-L257 HydrophobicContact CB-CD2 4.09Å; V107-L257 HydrophobicContact CG2-CD2 3.79Å | ||
| 108 | P | 89.7 | Confident | 92.8 | Very high | 66 Ų | 66 | 34 Ų | 34 | 43% | 0.429 | 17% | 0.167 | S | C | . | . | trans | -69 | 122.9 | 174.7 | -15.3 | 29.5 | 0 | 0 | 0 | 110.1 | F106 | F106-P108 HydrophobicContact CD1-CG 3.98Å; F106-P108 HydrophobicContact CE1-CB 4.07Å; F106-P108 HydrophobicContact CE1-CG 3.87Å; F106-P108 WeakPolarHBondContact O-CD 3.31Å | ||
| 109 | H | 91.3 | Very high | 93 | Very high | 56 Ų | 56 | 34.1 Ų | 34.1 | 26% | 0.259 | 17% | 0.167 | S | C | . | . | trans | -151.8 | 163.5 | -179.1 | 60.7 | -79.7 | 0 | 0 | 0 | 111 | V107 E113 E114 V214 C216 L257 | V107-H109 PolarHBondContact O-N 2.75Å; V107-H109 PolarHBondContact O-ND1 2.99Å; H109-E113 VanDerWaalsContact CA-OE2 3.28Å; H109-E113 WeakPolarHBondContact CA-OE2 3.41Å; H109-E113 HydrophobicContact CB-CB 4.41Å; H109-E113 WeakPolarHBondContact CB-OE2 3.25Å; H109-E114 IonicContact CD2-OE1 3.17Å; H109-E114 IonicContact NE2-OE1 3.01Å; H109-E114 PolarHBondContact NE2-OE1 2.83Å; H109-V214 HydrophobicContact CB-CG1 3.58Å; H109-C216 HydrophobicContact CB-CB 4.27Å; H109-L257 VanDerWaalsContact CE1-CD1 3.43Å; H109-L257 WeakPolarHBondContact CE1-CD1 3.47Å | ||
| 110 | E | 91.1 | Very high | 93.2 | Very high | 115 Ų | 115 | 33.3 Ų | 33.3 | 54% | 0.537 | 16% | 0.159 | S | C | . | . | trans | -100.4 | 158.1 | 176.3 | -60.8 | 179.5 | 151.8 | 0 | 0 | 111.6 | Q112 E113 | E110-Q112 HydrophobicContact CB-CG 4.16Å; E110-Q112 PolarHBondContact O-N 2.79Å; E110-Q112 VanDerWaalsContact O-N 3.14Å; E110-Q112 PolarHBondContact OE2-NE2 2.72Å; E110-E113 HydrophobicContact CB-CG 4.2Å; E110-E113 PolarHBondContact N-OE2 2.64Å; E110-E113 WeakPolarHBondContact O-CA 3.28Å; E110-E113 VanDerWaalsContact O-CB 3.25Å; E110-E113 WeakPolarHBondContact O-CB 3.28Å; E110-E113 PolarHBondContact O-N 3.18Å | ||
| 111 | Q | 89.6 | Confident | 93.2 | Very high | 116 Ų | 116 | 33.1 Ų | 33.1 | 54% | 0.542 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -56.1 | -35.2 | -177.8 | -169.5 | 64.3 | 45.8 | 0 | 0 | 113.5 | E113 E114 G134 | Q111-E113 PolarHBondContact O-N 2.73Å; Q111-E114 PolarHBondContact NE2-OE2 3.34Å; Q111-E114 PolarHBondContact O-N 2.92Å; Q111-E114 PolarHBondContact OE1-OE2 2.69Å; Q111-G134 PolarHBondContact NE2-O 3.15Å; Q111-G134 VanDerWaalsContact NE2-O 3.14Å |
| 112 | Q | 89.8 | Confident | 93 | Very high | 126 Ų | 126 | 36 Ų | 36 | 59% | 0.589 | 17% | 0.172 | S | C | * | . | G | 310 helix | trans | -68.5 | -7.6 | 175.9 | 57.7 | -120.3 | 22.1 | 0 | 0 | 114.7 | E110 Y115 R185 | E110-Q112 HydrophobicContact CB-CG 4.16Å; E110-Q112 PolarHBondContact O-N 2.79Å; E110-Q112 VanDerWaalsContact O-N 3.14Å; E110-Q112 PolarHBondContact OE2-NE2 2.72Å; Q112-Y115 PolarHBondContact O-OH 2.9Å; Q112-R185 PolarHBondContact O-NH1 3.27Å |
| 113 | E | 92 | Very high | 92.9 | Very high | 25 Ų | 25 | 37.9 Ų | 37.9 | 12% | 0.117 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -97.7 | -9.8 | 176.7 | -47.6 | -168.6 | 115.6 | 0 | 0 | 112 | H109 E110 Q111 Y115 R185 V214 I215 | H109-E113 VanDerWaalsContact CA-OE2 3.28Å; H109-E113 WeakPolarHBondContact CA-OE2 3.41Å; H109-E113 HydrophobicContact CB-CB 4.41Å; H109-E113 WeakPolarHBondContact CB-OE2 3.25Å; E110-E113 HydrophobicContact CB-CG 4.2Å; E110-E113 PolarHBondContact N-OE2 2.64Å; E110-E113 WeakPolarHBondContact O-CA 3.28Å; E110-E113 VanDerWaalsContact O-CB 3.25Å; E110-E113 WeakPolarHBondContact O-CB 3.28Å; E110-E113 PolarHBondContact O-N 3.18Å; Q111-E113 PolarHBondContact O-N 2.73Å; E113-Y115 WeakPolarHBondContact O-CD2 3.37Å; E113-Y115 WeakPolarHBondContact O-CE2 3.23Å; E113-R185 IonicContact OE1-CZ 3.32Å; E113-R185 IonicContact OE1-NH2 2.9Å; E113-R185 PolarHBondContact OE1-NH2 3.15Å; E113-V214 HydrophobicContact CB-CG1 4.27Å; E113-V214 VanDerWaalsContact O-CA 3.32Å; E113-V214 WeakPolarHBondContact O-CA 3.11Å; E113-I215 PolarHBondContact O-N 3.3Å; E113-I215 VanDerWaalsContact O-N 3.09Å |
| 114 | E | 94.6 | Very high | 92.7 | Very high | 23 Ų | 23 | 40.6 Ų | 40.6 | 11% | 0.107 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 126.9 | 176.1 | -61.9 | -166.8 | 146.5 | 0 | 0 | 112 | H109 Q111 G134 G135 P212 V214 | H109-E114 IonicContact CD2-OE1 3.17Å; H109-E114 IonicContact NE2-OE1 3.01Å; H109-E114 PolarHBondContact NE2-OE1 2.83Å; Q111-E114 PolarHBondContact NE2-OE2 3.34Å; Q111-E114 PolarHBondContact O-N 2.92Å; Q111-E114 PolarHBondContact OE1-OE2 2.69Å; E114-G134 PolarHBondContact O-N 2.76Å; E114-G135 WeakPolarHBondContact OE2-CA 3.43Å; E114-P212 HydrophobicContact CB-CB 3.93Å; E114-P212 HydrophobicContact CG-CB 3.91Å; E114-P212 HydrophobicContact CG-CG 4.45Å; E114-V214 HydrophobicContact CG-CG2 4.18Å |
| 115 | Y | 96 | Very high | 92.8 | Very high | 10 Ų | 10 | 40.4 Ų | 40.4 | 4% | 0.039 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 156.5 | 176.1 | -56 | -69.5 | 0 | 0 | 0 | 110.6 | Q112 E113 F130 H132 V180 R185 L189 L213 I215 | Q112-Y115 PolarHBondContact O-OH 2.9Å; E113-Y115 WeakPolarHBondContact O-CD2 3.37Å; E113-Y115 WeakPolarHBondContact O-CE2 3.23Å; Y115-F130 HydrophobicContact CD1-CE2 4.34Å; Y115-F130 AromaticContact CD1-CZ 3.67Å; Y115-F130 HydrophobicContact CD1-CZ 3.67Å; Y115-F130 HydrophobicContact CE1-CZ 4.47Å; Y115-F130 HydrophobicContact CG-CE2 4.26Å; Y115-F130 HydrophobicContact CG-CZ 4.04Å; Y115-H132 WeakPolarHBondContact CD1-O 3.4Å; Y115-V180 HydrophobicContact CE1-CG2 4.37Å; Y115-R185 WeakPolarHBondContact OH-CD 3.43Å; Y115-R185 PolarHBondContact OH-NH1 3.05Å; Y115-L189 HydrophobicContact CD1-CD1 4.41Å; Y115-L189 HydrophobicContact CD2-CD1 4.38Å; Y115-L189 HydrophobicContact CD2-CD2 4.39Å; Y115-L189 HydrophobicContact CE1-CD1 4.44Å; Y115-L189 HydrophobicContact CE2-CD1 4.4Å; Y115-L189 HydrophobicContact CG-CD1 4.39Å; Y115-L213 WeakPolarHBondContact CB-O 3.41Å; Y115-L213 PolarHBondContact N-O 3.23Å; Y115-L213 PolarHBondContact O-N 2.85Å; Y115-I215 HydrophobicContact CD2-CD1 4.19Å; Y115-I215 HydrophobicContact CD2-CG1 3.96Å; Y115-I215 HydrophobicContact CE2-CB 3.98Å; Y115-I215 HydrophobicContact CE2-CD1 3.87Å; Y115-I215 HydrophobicContact CE2-CG1 3.72Å |
| 116 | Y | 95.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 131.8 | 170 | 170.5 | -89 | 0 | 0 | 0 | 109.5 | C118 L129 F130 H131 V138 V141 A145 E209 N211 | Y116-C118 HydrophobicContact CE1-CB 3.72Å; Y116-C118 HydrophobicContact CE2-CB 4.45Å; Y116-C118 WeakPolarHBondContact OH-CB 3.44Å; Y116-L129 HydrophobicContact CE1-CB 4.2Å; Y116-F130 WeakPolarHBondContact O-CA 3.17Å; Y116-F130 VanDerWaalsContact O-CD2 3.27Å; Y116-F130 WeakPolarHBondContact O-CD2 3.39Å; Y116-H131 HydrophobicContact CD1-CB 4.3Å; Y116-H131 PolarHBondContact N-O 3.37Å; Y116-H131 PolarHBondContact O-N 3.06Å; Y116-V138 HydrophobicContact CG-CG2 4.46Å; Y116-V141 HydrophobicContact CD1-CG2 3.4Å; Y116-V141 VanDerWaalsContact CD1-CG2 3.4Å; Y116-V141 HydrophobicContact CD2-CG2 3.92Å; Y116-V141 HydrophobicContact CE1-CB 4.33Å; Y116-V141 HydrophobicContact CE1-CG1 4.21Å; Y116-V141 HydrophobicContact CE1-CG2 3.24Å; Y116-V141 HydrophobicContact CE2-CB 4.37Å; Y116-V141 HydrophobicContact CE2-CG1 4.14Å; Y116-V141 HydrophobicContact CE2-CG2 3.78Å; Y116-V141 HydrophobicContact CG-CG2 3.74Å; Y116-V141 VanDerWaalsContact CZ-CG2 3.43Å; Y116-V141 WeakPolarHBondContact OH-CG1 3.12Å; Y116-A145 HydrophobicContact CE1-CB 4.41Å; Y116-E209 HydrophobicContact CE2-CG 3.94Å; Y116-E209 WeakPolarHBondContact CE2-OE1 3.27Å; Y116-N211 HydrophobicContact CD2-CB 3.84Å; Y116-N211 HydrophobicContact CE2-CB 4.34Å |
| 117 | L | 96.3 | Very high | 93 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 132.6 | 173.9 | 178.8 | 64.9 | 0 | 0 | 0 | 109.8 | M119 I128 L129 F130 F192 I193 L196 I210 L213 | L117-M119 HydrophobicContact CD1-CE 4.44Å; L117-M119 HydrophobicContact CD2-CE 4.38Å; L117-I128 HydrophobicContact CD1-CG2 3.82Å; L117-L129 CarbonylContact C-O 3.58Å; L117-L129 WeakPolarHBondContact CA-O 3.4Å; L117-F130 HydrophobicContact CD1-CD2 4.41Å; L117-F192 HydrophobicContact CD2-CE1 4.08Å; L117-I193 HydrophobicContact CD1-CD1 4Å; L117-I193 HydrophobicContact CD1-CG1 3.94Å; L117-I193 HydrophobicContact CD2-CG1 3.91Å; L117-L196 HydrophobicContact CD2-CD2 3.7Å; L117-I210 PolarHBondContact N-O 3.29Å; L117-I210 VanDerWaalsContact N-O 3.13Å; L117-I210 PolarHBondContact O-N 3.22Å; L117-L213 HydrophobicContact CB-CD2 4.37Å; L117-L213 HydrophobicContact CD2-CD2 4.27Å |
| 118 | C | 95.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.02 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 138.9 | 174.1 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | Y116 I128 L129 L208 E209 | Y116-C118 HydrophobicContact CE1-CB 3.72Å; Y116-C118 HydrophobicContact CE2-CB 4.45Å; Y116-C118 WeakPolarHBondContact OH-CB 3.44Å; C118-I128 CarbonylContact O-C 3.52Å; C118-I128 WeakPolarHBondContact O-CA 3.23Å; C118-L129 HydrophobicContact CB-CB 4.2Å; C118-L129 PolarHBondContact N-O 2.94Å; C118-L129 PolarHBondContact O-N 3.29Å; C118-L208 CarbonylContact C-O 3.58Å; C118-L208 VanDerWaalsContact CA-O 3.28Å; C118-L208 WeakPolarHBondContact CA-O 3.3Å; C118-E209 HydrophobicContact CB-CB 4.38Å; C118-E209 HydrophobicContact CB-CG 4.42Å |
| 119 | M | 95.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 136.7 | 176 | -62.7 | -179.6 | -178.9 | 0 | 0 | 109.7 | L117 V127 I128 I193 L196 H197 F200 Y207 L208 | L117-M119 HydrophobicContact CD1-CE 4.44Å; L117-M119 HydrophobicContact CD2-CE 4.38Å; M119-V127 CarbonylContact C-O 3.59Å; M119-V127 WeakPolarHBondContact CA-O 3.42Å; M119-I128 HydrophobicContact CE-CD1 4.34Å; M119-I128 HydrophobicContact CE-CG1 4.43Å; M119-I128 HydrophobicContact CE-CG2 4.33Å; M119-I128 HydrophobicContact CG-CG1 4.24Å; M119-I128 HydrophobicContact CG-CG2 4.42Å; M119-I193 HydrophobicContact CE-CG2 3.81Å; M119-I193 WeakPolarHBondContact CE-O 3.36Å; M119-L196 HydrophobicContact CE-CB 4.21Å; M119-L196 HydrophobicContact CE-CD2 4.07Å; M119-L196 HydrophobicContact CE-CG 4.2Å; M119-L196 HydrophobicContact SD-CD2 4.49Å; M119-L196 HydrophobicContact SD-CG 4.39Å; M119-H197 HydrophobicContact CE-CB 4.02Å; M119-H197 HydrophobicContact SD-CB 4.11Å; M119-F200 HydrophobicContact CB-CD2 3.76Å; M119-F200 HydrophobicContact CB-CE2 3.72Å; M119-F200 HydrophobicContact CB-CG 4.35Å; M119-F200 HydrophobicContact CB-CZ 4.28Å; M119-F200 WeakPolarHBondContact O-CE2 3.41Å; M119-F200 HydrophobicContact SD-CB 4.23Å; M119-F200 HydrophobicContact SD-CD2 4.39Å; M119-F200 HydrophobicContact SD-CG 4.36Å; M119-Y207 CarbonylContact O-C 3.54Å; M119-Y207 WeakPolarHBondContact O-CA 3.35Å; M119-L208 HydrophobicContact CB-CB 4.49Å; M119-L208 PolarHBondContact N-O 2.89Å; M119-L208 PolarHBondContact O-N 2.95Å |
| 120 | Y | 93.4 | Very high | 93.6 | Very high | 50 Ų | 50 | 30.9 Ų | 30.9 | 20% | 0.196 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 155.5 | 175.1 | 67 | -87.1 | 0 | 0 | 0 | 112.6 | Q122 V127 L129 R147 T206 | Y120-Q122 HydrophobicContact CD2-CG 4.1Å; Y120-Q122 HydrophobicContact CE2-CG 3.65Å; Y120-V127 HydrophobicContact CD1-CB 3.98Å; Y120-V127 HydrophobicContact CD1-CG1 4.32Å; Y120-V127 HydrophobicContact CD2-CB 4.39Å; Y120-V127 HydrophobicContact CD2-CG2 4.45Å; Y120-V127 HydrophobicContact CE1-CB 3.56Å; Y120-V127 HydrophobicContact CE1-CG1 3.53Å; Y120-V127 HydrophobicContact CE1-CG2 4.25Å; Y120-V127 HydrophobicContact CE2-CB 4.04Å; Y120-V127 HydrophobicContact CE2-CG2 3.87Å; Y120-V127 HydrophobicContact CG-CB 4.37Å; Y120-V127 PolarHBondContact N-O 3.33Å; Y120-V127 PolarHBondContact O-N 3.19Å; Y120-L129 HydrophobicContact CE1-CD1 3.86Å; Y120-L129 HydrophobicContact CE1-CG 4.08Å; Y120-R147 PolarHBondContact OH-NH1 3.26Å; Y120-T206 WeakPolarHBondContact CA-O 3.44Å |
| 121 | T | 92.8 | Very high | 93.8 | Very high | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 132.9 | -179.4 | 54.7 | 0 | 0 | 0 | 0 | 111.7 | F200 T206 R703 R787 | T121-F200 HydrophobicContact CG2-CE1 3.69Å; T121-F200 HydrophobicContact CG2-CZ 3.88Å; T121-T206 PolarHBondContact N-O 3.08Å; T121-T206 PolarHBondContact OG1-O 3.43Å; T121-R703 VanDerWaalsContact CB-NH1 3.35Å; T121-R787 PolarHBondContact OG1-NH1 3.36Å |
| 122 | Q | 91 | Very high | 93.9 | Very high | 59 Ų | 59 | 25.4 Ų | 25.4 | 28% | 0.276 | 12% | 0.12 | S | C | . | . | trans | -116.1 | 174.1 | 162.7 | -68 | -172.1 | -32.4 | 0 | 0 | 109.8 | Y120 T124 S125 V127 R147 R703 | Y120-Q122 HydrophobicContact CD2-CG 4.1Å; Y120-Q122 HydrophobicContact CE2-CG 3.65Å; Q122-T124 VanDerWaalsContact C-N 3.32Å; Q122-T124 PolarHBondContact O-N 3.36Å; Q122-S125 CarbonylContact C-O 3.49Å; Q122-S125 WeakPolarHBondContact CA-O 3.43Å; Q122-S125 WeakPolarHBondContact CB-O 3.37Å; Q122-S125 PolarHBondContact N-O 3.07Å; Q122-S125 VanDerWaalsContact O-O 3.13Å; Q122-V127 HydrophobicContact CB-CG2 4.49Å; Q122-V127 HydrophobicContact CG-CG2 3.71Å; Q122-V127 VanDerWaalsContact OE1-CG2 3.25Å; Q122-R147 VanDerWaalsContact CD-NH2 3.33Å; Q122-R147 VanDerWaalsContact NE2-NH2 3.16Å; Q122-R703 WeakPolarHBondContact O-CD 3.28Å; Q122-R703 PolarHBondContact O-NH1 3.29Å; Q122-R703 VanDerWaalsContact O-NH1 3.09Å | ||
| 123 | R | 91.5 | Very high | 94 | Very high | 40 Ų | 40 | 21.4 Ų | 21.4 | 15% | 0.151 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -57.4 | -41.4 | -177.9 | -175.5 | -179.5 | -179.7 | 80.7 | 9.4 | 112.9 | F788 P789 G790 | R123-F788 HydrophobicContact CB-CD1 3.79Å; R123-F788 HydrophobicContact CB-CE1 4Å; R123-F788 HydrophobicContact CG-CD1 4.13Å; R123-P789 PolarHBondContact NH1-O 3.37Å; R123-P789 PolarHBondContact NH2-O 3.03Å; R123-G790 PolarHBondContact NH2-O 3.42Å |
| 124 | T | 92.1 | Very high | 93.9 | Very high | 57 Ų | 57 | 20.4 Ų | 20.4 | 35% | 0.35 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -115 | -8.3 | -171.7 | 52.1 | 0 | 0 | 0 | 0 | 114.2 | Q122 V152 | Q122-T124 VanDerWaalsContact C-N 3.32Å; Q122-T124 PolarHBondContact O-N 3.36Å; T124-V152 WeakPolarHBondContact O-CG2 3.33Å; T124-V152 PolarHBondContact O-N 2.89Å |
| 125 | S | 94.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.014 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 160.7 | -176.4 | 55.9 | 0 | 0 | 0 | 0 | 112.3 | Q122 E149 V150 R703 | Q122-S125 CarbonylContact C-O 3.49Å; Q122-S125 WeakPolarHBondContact CA-O 3.43Å; Q122-S125 WeakPolarHBondContact CB-O 3.37Å; Q122-S125 PolarHBondContact N-O 3.07Å; Q122-S125 VanDerWaalsContact O-O 3.13Å; S125-E149 PolarHBondContact OG-OE2 2.61Å; S125-E149 VanDerWaalsContact OG-OE2 3.05Å; S125-V150 CarbonylContact C-O 3.53Å; S125-V150 WeakPolarHBondContact CA-O 3.43Å; S125-V150 VanDerWaalsContact CB-O 3.28Å; S125-V150 WeakPolarHBondContact CB-O 3.45Å; S125-R703 PolarHBondContact O-NH1 2.85Å |
| 126 | N | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 131.1 | 156.3 | -69.2 | -11.8 | 0 | 0 | 0 | 107.6 | V150 I155 H197 R703 | N126-V150 HydrophobicContact CB-CB 4.49Å; N126-V150 PolarHBondContact N-O 2.97Å; N126-V150 PolarHBondContact O-N 3.39Å; N126-I155 HydrophobicContact CB-CD1 4.39Å; N126-I155 WeakPolarHBondContact ND2-CD1 3.33Å; N126-H197 WeakPolarHBondContact CB-NE2 3.29Å; N126-H197 PolarHBondContact ND2-NE2 2.94Å; N126-H197 VanDerWaalsContact ND2-NE2 3.19Å; N126-R703 VanDerWaalsContact OD1-CZ 3.26Å; N126-R703 PolarHBondContact OD1-NH1 3.4Å; N126-R703 PolarHBondContact OD1-NH2 2.96Å |
| 127 | V | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 132.6 | 178.7 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | M119 Y120 Q122 L129 R147 E149 | M119-V127 CarbonylContact C-O 3.59Å; M119-V127 WeakPolarHBondContact CA-O 3.42Å; Y120-V127 HydrophobicContact CD1-CB 3.98Å; Y120-V127 HydrophobicContact CD1-CG1 4.32Å; Y120-V127 HydrophobicContact CD2-CB 4.39Å; Y120-V127 HydrophobicContact CD2-CG2 4.45Å; Y120-V127 HydrophobicContact CE1-CB 3.56Å; Y120-V127 HydrophobicContact CE1-CG1 3.53Å; Y120-V127 HydrophobicContact CE1-CG2 4.25Å; Y120-V127 HydrophobicContact CE2-CB 4.04Å; Y120-V127 HydrophobicContact CE2-CG2 3.87Å; Y120-V127 HydrophobicContact CG-CB 4.37Å; Y120-V127 PolarHBondContact N-O 3.33Å; Y120-V127 PolarHBondContact O-N 3.19Å; Q122-V127 HydrophobicContact CB-CG2 4.49Å; Q122-V127 HydrophobicContact CG-CG2 3.71Å; Q122-V127 VanDerWaalsContact OE1-CG2 3.25Å; V127-L129 HydrophobicContact CG1-CD2 4Å; V127-L129 HydrophobicContact CG1-CG 4.2Å; V127-R147 HydrophobicContact CG1-CG 3.77Å; V127-E149 HydrophobicContact CG2-CG 4.39Å |
| 128 | I | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 119.4 | 172 | -51.6 | 177.9 | 0 | 0 | 0 | 107.9 | L117 C118 M119 R147 F148 V150 L176 I193 | L117-I128 HydrophobicContact CD1-CG2 3.82Å; C118-I128 CarbonylContact O-C 3.52Å; C118-I128 WeakPolarHBondContact O-CA 3.23Å; M119-I128 HydrophobicContact CE-CD1 4.34Å; M119-I128 HydrophobicContact CE-CG1 4.43Å; M119-I128 HydrophobicContact CE-CG2 4.33Å; M119-I128 HydrophobicContact CG-CG1 4.24Å; M119-I128 HydrophobicContact CG-CG2 4.42Å; I128-R147 CarbonylContact O-C 3.44Å; I128-R147 WeakPolarHBondContact O-CA 3.43Å; I128-F148 HydrophobicContact CB-CB 4.43Å; I128-F148 HydrophobicContact CD1-CD1 4.35Å; I128-F148 PolarHBondContact N-O 2.9Å; I128-F148 PolarHBondContact O-N 3.38Å; I128-V150 HydrophobicContact CD1-CG2 3.95Å; I128-L176 HydrophobicContact CG2-CD2 3.99Å; I128-I193 HydrophobicContact CD1-CG2 3.88Å; I128-I193 HydrophobicContact CG2-CG2 3.99Å |
| 129 | L | 94.7 | Very high | 91 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 133.4 | 173.8 | -62.5 | -178.4 | 0 | 0 | 0 | 109.9 | Y116 L117 C118 Y120 V127 A145 K146 R147 | Y116-L129 HydrophobicContact CE1-CB 4.2Å; L117-L129 CarbonylContact C-O 3.58Å; L117-L129 WeakPolarHBondContact CA-O 3.4Å; C118-L129 HydrophobicContact CB-CB 4.2Å; C118-L129 PolarHBondContact N-O 2.94Å; C118-L129 PolarHBondContact O-N 3.29Å; Y120-L129 HydrophobicContact CE1-CD1 3.86Å; Y120-L129 HydrophobicContact CE1-CG 4.08Å; V127-L129 HydrophobicContact CG1-CD2 4Å; V127-L129 HydrophobicContact CG1-CG 4.2Å; L129-A145 HydrophobicContact CB-CB 4.11Å; L129-K146 CarbonylContact C-O 3.01Å; L129-K146 VanDerWaalsContact CA-O 3.29Å; L129-K146 WeakPolarHBondContact CA-O 3.11Å; L129-R147 HydrophobicContact CD2-CB 3.85Å; L129-R147 HydrophobicContact CD2-CG 3.95Å |
| 130 | F | 95.9 | Very high | 90 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 138.8 | 177.9 | -178.8 | -93.2 | 0 | 0 | 0 | 112.1 | Y115 Y116 L117 H132 A145 K146 L176 L177 V180 L189 I193 | Y115-F130 HydrophobicContact CD1-CE2 4.34Å; Y115-F130 AromaticContact CD1-CZ 3.67Å; Y115-F130 HydrophobicContact CD1-CZ 3.67Å; Y115-F130 HydrophobicContact CE1-CZ 4.47Å; Y115-F130 HydrophobicContact CG-CE2 4.26Å; Y115-F130 HydrophobicContact CG-CZ 4.04Å; Y116-F130 WeakPolarHBondContact O-CA 3.17Å; Y116-F130 VanDerWaalsContact O-CD2 3.27Å; Y116-F130 WeakPolarHBondContact O-CD2 3.39Å; L117-F130 HydrophobicContact CD1-CD2 4.41Å; F130-H132 HydrophobicContact CE1-CB 4.22Å; F130-A145 CarbonylContact O-C 3.54Å; F130-A145 VanDerWaalsContact O-CA 3.31Å; F130-A145 WeakPolarHBondContact O-CA 3.45Å; F130-K146 PolarHBondContact N-O 2.82Å; F130-K146 PolarHBondContact O-N 3.33Å; F130-L176 HydrophobicContact CB-CD1 3.62Å; F130-L176 HydrophobicContact CB-CG 3.85Å; F130-L176 WeakPolarHBondContact CD1-O 3.36Å; F130-L177 HydrophobicContact CD1-CD2 3.69Å; F130-L177 HydrophobicContact CD2-CD2 3.96Å; F130-L177 HydrophobicContact CE1-CD2 3.74Å; F130-L177 HydrophobicContact CE2-CD2 4Å; F130-L177 HydrophobicContact CG-CD2 3.8Å; F130-L177 HydrophobicContact CZ-CD2 3.9Å; F130-V180 HydrophobicContact CE1-CG2 3.56Å; F130-V180 HydrophobicContact CZ-CG2 3.69Å; F130-L189 HydrophobicContact CE2-CD1 3.91Å; F130-L189 HydrophobicContact CE2-CD2 4.02Å; F130-L189 HydrophobicContact CZ-CD1 3.63Å; F130-I193 HydrophobicContact CD2-CD1 4.4Å |
| 131 | H | 94.5 | Very high | 89.1 | Confident | 30 Ų | 30 | 37.2 Ų | 37.2 | 14% | 0.139 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 135.8 | 168.6 | -160.3 | 51.8 | 0 | 0 | 0 | 111 | Y116 A133 K144 A145 | Y116-H131 HydrophobicContact CD1-CB 4.3Å; Y116-H131 PolarHBondContact N-O 3.37Å; Y116-H131 PolarHBondContact O-N 3.06Å; H131-A133 PolarHBondContact CD2-O 3.43Å; H131-A133 PolarHBondContact O-N 3.17Å; H131-K144 PolarHBondContact CE1-O 3.1Å; H131-K144 PolarHBondContact ND1-O 3.02Å; H131-K144 VanDerWaalsContact ND1-O 3.07Å; H131-A145 HydrophobicContact CB-CB 4.35Å |
| 132 | H | 92.5 | Very high | 88 | Confident | 86 Ų | 86 | 43.1 Ų | 43.1 | 40% | 0.398 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -74.8 | -10.3 | -173.7 | 70 | -81.7 | 0 | 0 | 0 | 114 | Y115 F130 V180 | Y115-H132 WeakPolarHBondContact CD1-O 3.4Å; F130-H132 HydrophobicContact CE1-CB 4.22Å; H132-V180 HydrophobicContact CB-CG2 4.49Å |
| 133 | A | 91.5 | Very high | 87.3 | Confident | 42 Ų | 42 | 44.7 Ų | 44.7 | 35% | 0.347 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -122.3 | 88.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | H131 | H131-A133 PolarHBondContact CD2-O 3.43Å; H131-A133 PolarHBondContact O-N 3.17Å |
| 134 | G | 90.2 | Very high | 87 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | trans | -80.2 | -162.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q111 E114 | Q111-G134 PolarHBondContact NE2-O 3.15Å; Q111-G134 VanDerWaalsContact NE2-O 3.14Å; E114-G134 PolarHBondContact O-N 2.76Å | ||
| 135 | G | 89 | Confident | 86.8 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 103 | -176.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E114 D137 V138 N211 | E114-G135 WeakPolarHBondContact OE2-CA 3.43Å; G135-D137 PolarHBondContact O-N 2.86Å; G135-V138 PolarHBondContact O-N 3.45Å; G135-N211 PolarHBondContact N-OD1 2.93Å; G135-N211 PolarHBondContact O-ND2 3.37Å; G135-N211 PolarHBondContact O-OD1 3.42Å |
| 136 | V | 85.2 | Confident | 86.8 | Confident | 81 Ų | 81 | 50 Ų | 50 | 49% | 0.491 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27.1 | -178.7 | 176.5 | 0 | 0 | 0 | 0 | 112 | K64 | K64-V136 HydrophobicContact CD-CG1 4.27Å; K64-V136 WeakPolarHBondContact CE-O 3.47Å; K64-V136 HydrophobicContact CG-CG1 3.48Å; K64-V136 VanDerWaalsContact CG-CG1 3.48Å; K64-V136 PolarHBondContact NZ-O 2.89Å |
| 137 | D | 84.3 | Confident | 86.7 | Confident | 124 Ų | 124 | 54.7 Ų | 54.7 | 66% | 0.663 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | 26.7 | -175.5 | -67.4 | -44.6 | 0 | 0 | 0 | 114.8 | K64 G135 G139 | K64-D137 WeakPolarHBondContact CE-OD1 3.47Å; K64-D137 IonicContact NZ-OD1 3.43Å; K64-D137 PolarHBondContact NZ-OD1 3.13Å; G135-D137 PolarHBondContact O-N 2.86Å; D137-G139 PolarHBondContact O-N 3.34Å |
| 138 | V | 81 | Confident | 86.7 | Confident | 16 Ų | 16 | 56.7 Ų | 56.7 | 10% | 0.097 | 31% | 0.307 | C | S | . | . | trans | -57.5 | -30.1 | 175.1 | 70.1 | 0 | 0 | 0 | 0 | 113.2 | Y116 G135 V141 K144 | Y116-V138 HydrophobicContact CG-CG2 4.46Å; G135-V138 PolarHBondContact O-N 3.45Å; V138-V141 HydrophobicContact CG2-CB 4.22Å; V138-V141 HydrophobicContact CG2-CG2 3.77Å; V138-K144 WeakPolarHBondContact O-CD 3.35Å; V138-K144 PolarHBondContact O-NZ 3.18Å | ||
| 139 | G | 77 | Confident | 86.7 | Confident | 50 Ų | 50 | 61.1 Ų | 61.1 | 52% | 0.515 | 33% | 0.328 | S | S | . | . | trans | 75.7 | -147.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | D137 V141 | D137-G139 PolarHBondContact O-N 3.34Å; G139-V141 VanDerWaalsContact C-N 3.34Å; G139-V141 PolarHBondContact O-N 3.48Å | ||
| 140 | E | 74.8 | Confident | 86.6 | Confident | 158 Ų | 158 | 60.8 Ų | 60.8 | 74% | 0.738 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -71.7 | 86.1 | 176.7 | -71.8 | -120.8 | 147.6 | 0 | 0 | 111.2 | D142 S143 | E140-D142 VanDerWaalsContact C-N 3.33Å; E140-D142 PolarHBondContact O-N 3.2Å; E140-S143 PolarHBondContact O-N 3.45Å; E140-S143 PolarHBondContact O-OG 3.22Å |
| 141 | V | 73.9 | Confident | 86.6 | Confident | 16 Ų | 16 | 62.3 Ų | 62.3 | 10% | 0.097 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.4 | -31 | -169.2 | 75.1 | 0 | 0 | 0 | 0 | 113.4 | Y116 V138 G139 S143 K144 A145 | Y116-V141 HydrophobicContact CD1-CG2 3.4Å; Y116-V141 VanDerWaalsContact CD1-CG2 3.4Å; Y116-V141 HydrophobicContact CD2-CG2 3.92Å; Y116-V141 HydrophobicContact CE1-CB 4.33Å; Y116-V141 HydrophobicContact CE1-CG1 4.21Å; Y116-V141 HydrophobicContact CE1-CG2 3.24Å; Y116-V141 HydrophobicContact CE2-CB 4.37Å; Y116-V141 HydrophobicContact CE2-CG1 4.14Å; Y116-V141 HydrophobicContact CE2-CG2 3.78Å; Y116-V141 HydrophobicContact CG-CG2 3.74Å; Y116-V141 VanDerWaalsContact CZ-CG2 3.43Å; Y116-V141 WeakPolarHBondContact OH-CG1 3.12Å; V138-V141 HydrophobicContact CG2-CB 4.22Å; V138-V141 HydrophobicContact CG2-CG2 3.77Å; G139-V141 VanDerWaalsContact C-N 3.34Å; G139-V141 PolarHBondContact O-N 3.48Å; V141-S143 PolarHBondContact O-N 2.9Å; V141-K144 PolarHBondContact O-N 2.75Å; V141-A145 HydrophobicContact CG2-CB 4.04Å; V141-A145 WeakPolarHBondContact O-CB 3.35Å; V141-A145 PolarHBondContact O-N 2.92Å |
| 142 | D | 70.5 | Confident | 86.5 | Confident | 130 Ų | 130 | 61 Ų | 61 | 70% | 0.695 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.5 | -30 | 179.6 | -63.6 | -51.5 | 0 | 0 | 0 | 112.5 | E140 | E140-D142 VanDerWaalsContact C-N 3.33Å; E140-D142 PolarHBondContact O-N 3.2Å |
| 143 | S | 76.1 | Confident | 86.4 | Confident | 92 Ų | 92 | 60.5 Ų | 60.5 | 64% | 0.643 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -83.5 | -24.9 | 176.5 | 70.8 | 0 | 0 | 0 | 0 | 113.7 | E140 V141 | E140-S143 PolarHBondContact O-N 3.45Å; E140-S143 PolarHBondContact O-OG 3.22Å; V141-S143 PolarHBondContact O-N 2.9Å |
| 144 | K | 85.8 | Confident | 86.4 | Confident | 96 Ų | 96 | 61.4 Ų | 61.4 | 42% | 0.417 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -101.5 | -32.7 | -171.7 | -65.7 | -178.6 | -175.7 | 179.2 | 0 | 113.5 | H131 V138 V141 | H131-K144 PolarHBondContact CE1-O 3.1Å; H131-K144 PolarHBondContact ND1-O 3.02Å; H131-K144 VanDerWaalsContact ND1-O 3.07Å; V138-K144 WeakPolarHBondContact O-CD 3.35Å; V138-K144 PolarHBondContact O-NZ 3.18Å; V141-K144 PolarHBondContact O-N 2.75Å |
| 145 | A | 87.4 | Confident | 86.3 | Confident | 14 Ų | 14 | 61.4 Ų | 61.4 | 12% | 0.116 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -70.4 | 143.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y116 L129 F130 H131 V141 | Y116-A145 HydrophobicContact CE1-CB 4.41Å; L129-A145 HydrophobicContact CB-CB 4.11Å; F130-A145 CarbonylContact O-C 3.54Å; F130-A145 VanDerWaalsContact O-CA 3.31Å; F130-A145 WeakPolarHBondContact O-CA 3.45Å; H131-A145 HydrophobicContact CB-CB 4.35Å; V141-A145 HydrophobicContact CG2-CB 4.04Å; V141-A145 WeakPolarHBondContact O-CB 3.35Å; V141-A145 PolarHBondContact O-N 2.92Å |
| 146 | K | 93.6 | Very high | 86.2 | Confident | 101 Ų | 101 | 63.4 Ų | 63.4 | 44% | 0.439 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 146.5 | 168.5 | -60.1 | -59.6 | -174.5 | -177.3 | 0 | 108.6 | L129 F130 L176 | L129-K146 CarbonylContact C-O 3.01Å; L129-K146 VanDerWaalsContact CA-O 3.29Å; L129-K146 WeakPolarHBondContact CA-O 3.11Å; F130-K146 PolarHBondContact N-O 2.82Å; F130-K146 PolarHBondContact O-N 3.33Å; K146-L176 HydrophobicContact CB-CD1 4.27Å; K146-L176 VanDerWaalsContact O-CD1 3.31Å; K146-L176 WeakPolarHBondContact O-CD1 3.5Å |
| 147 | R | 93.6 | Very high | 86.1 | Confident | 98 Ų | 98 | 64.3 Ų | 64.3 | 37% | 0.37 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 135.7 | -174 | -176.6 | -173.4 | 178.6 | 94.9 | 2 | 110.1 | Y120 Q122 V127 I128 L129 E149 | Y120-R147 PolarHBondContact OH-NH1 3.26Å; Q122-R147 VanDerWaalsContact CD-NH2 3.33Å; Q122-R147 VanDerWaalsContact NE2-NH2 3.16Å; V127-R147 HydrophobicContact CG1-CG 3.77Å; I128-R147 CarbonylContact O-C 3.44Å; I128-R147 WeakPolarHBondContact O-CA 3.43Å; L129-R147 HydrophobicContact CD2-CB 3.85Å; L129-R147 HydrophobicContact CD2-CG 3.95Å; R147-E149 IonicContact CZ-OE1 3.39Å; R147-E149 IonicContact NE-OE1 2.72Å; R147-E149 PolarHBondContact NE-OE1 3.39Å; R147-E149 IonicContact NH2-OE1 3.86Å; R147-E149 PolarHBondContact NH2-OE1 3.42Å |
| 148 | F | 94.6 | Very high | 85.1 | Confident | 42 Ų | 42 | 59.4 Ų | 59.4 | 18% | 0.184 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 137.5 | 169.3 | -174.1 | -91.3 | 0 | 0 | 0 | 108.8 | I128 V150 C166 L171 L176 | I128-F148 HydrophobicContact CB-CB 4.43Å; I128-F148 HydrophobicContact CD1-CD1 4.35Å; I128-F148 PolarHBondContact N-O 2.9Å; I128-F148 PolarHBondContact O-N 3.38Å; F148-V150 HydrophobicContact CD1-CG2 4.09Å; F148-V150 HydrophobicContact CE1-CG2 3.95Å; F148-C166 HydrophobicContact CE1-CB 4.11Å; F148-L171 HydrophobicContact CD1-CD2 3.59Å; F148-L171 HydrophobicContact CD2-CD2 4.16Å; F148-L171 HydrophobicContact CE1-CD2 3.61Å; F148-L171 HydrophobicContact CE2-CD2 4.18Å; F148-L171 HydrophobicContact CG-CD2 3.87Å; F148-L171 HydrophobicContact CZ-CD2 3.93Å; F148-L176 HydrophobicContact CB-CB 4.28Å; F148-L176 HydrophobicContact CB-CD1 3.93Å; F148-L176 HydrophobicContact CB-CD2 3.92Å; F148-L176 HydrophobicContact CB-CG 4.27Å |
| 149 | E | 94 | Very high | 84 | Confident | 93 Ų | 93 | 64.6 Ų | 64.6 | 44% | 0.435 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 128.4 | -177.8 | -64.2 | -167.3 | -169.2 | 0 | 0 | 110.9 | S125 V127 R147 | S125-E149 PolarHBondContact OG-OE2 2.61Å; S125-E149 VanDerWaalsContact OG-OE2 3.05Å; V127-E149 HydrophobicContact CG2-CG 4.39Å; R147-E149 IonicContact CZ-OE1 3.39Å; R147-E149 IonicContact NE-OE1 2.72Å; R147-E149 PolarHBondContact NE-OE1 3.39Å; R147-E149 IonicContact NH2-OE1 3.86Å; R147-E149 PolarHBondContact NH2-OE1 3.42Å |
| 150 | V | 94 | Very high | 82.4 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 108 | 172.5 | -170.4 | 0 | 0 | 0 | 0 | 107.7 | S125 N126 I128 F148 I155 C166 | S125-V150 CarbonylContact C-O 3.53Å; S125-V150 WeakPolarHBondContact CA-O 3.43Å; S125-V150 VanDerWaalsContact CB-O 3.28Å; S125-V150 WeakPolarHBondContact CB-O 3.45Å; N126-V150 HydrophobicContact CB-CB 4.49Å; N126-V150 PolarHBondContact N-O 2.97Å; N126-V150 PolarHBondContact O-N 3.39Å; I128-V150 HydrophobicContact CD1-CG2 3.95Å; F148-V150 HydrophobicContact CD1-CG2 4.09Å; F148-V150 HydrophobicContact CE1-CG2 3.95Å; V150-I155 HydrophobicContact CG1-CD1 4.36Å; V150-I155 HydrophobicContact CG1-CG1 3.9Å; V150-C166 HydrophobicContact CG1-CB 4.37Å; V150-C166 HydrophobicContact CG2-CB 4.07Å |
| 151 | S | 94.2 | Very high | 80.8 | Confident | 35 Ų | 35 | 63.4 Ų | 63.4 | 25% | 0.245 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 148.9 | -178.1 | 66.7 | 0 | 0 | 0 | 0 | 112 | E153 N154 I155 | S151-E153 PolarHBondContact O-N 3.24Å; S151-N154 PolarHBondContact O-N 3.28Å; S151-N154 VanDerWaalsContact O-N 3.1Å; S151-N154 WeakPolarHBondContact OG-CB 3.14Å; S151-N154 PolarHBondContact OG-N 3.05Å; S151-N154 PolarHBondContact OG-ND2 3.29Å; S151-I155 WeakPolarHBondContact O-CG1 3.42Å; S151-I155 PolarHBondContact O-N 2.83Å |
| 152 | V | 92.6 | Very high | 79.6 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.4 | -34.9 | 174.2 | 174.5 | 0 | 0 | 0 | 0 | 111 | T124 N154 I155 M156 R703 R704 Q707 | T124-V152 WeakPolarHBondContact O-CG2 3.33Å; T124-V152 PolarHBondContact O-N 2.89Å; V152-N154 VanDerWaalsContact C-N 3.35Å; V152-N154 PolarHBondContact O-N 2.9Å; V152-I155 WeakPolarHBondContact O-CB 3.43Å; V152-I155 PolarHBondContact O-N 3.4Å; V152-M156 HydrophobicContact CG1-CG 4.28Å; V152-M156 HydrophobicContact CG1-SD 4.06Å; V152-M156 WeakPolarHBondContact O-CG 3.31Å; V152-M156 PolarHBondContact O-N 2.84Å; V152-R703 HydrophobicContact CG1-CB 4.39Å; V152-R703 HydrophobicContact CG2-CB 4.04Å; V152-R704 HydrophobicContact CG1-CG 4.29Å; V152-Q707 HydrophobicContact CB-CB 4.38Å; V152-Q707 HydrophobicContact CG1-CB 3.75Å; V152-Q707 HydrophobicContact CG1-CG 4.2Å |
| 153 | E | 91.3 | Very high | 79 | Confident | 75 Ų | 75 | 67.4 Ų | 67.4 | 35% | 0.35 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -55.2 | -47.6 | 172.6 | -171.1 | -173.4 | 168 | 0 | 0 | 112.3 | S151 I155 M156 K157 Q707 | S151-E153 PolarHBondContact O-N 3.24Å; E153-I155 VanDerWaalsContact C-N 3.34Å; E153-M156 PolarHBondContact O-N 3.02Å; E153-K157 WeakPolarHBondContact O-CG 3.33Å; E153-K157 PolarHBondContact O-N 3.32Å; E153-K157 WeakPolarHBondContact OE1-CE 3.34Å; E153-K157 IonicContact OE1-NZ 2.85Å; E153-K157 PolarHBondContact OE1-NZ 3.37Å; E153-Q707 HydrophobicContact CB-CG 4.35Å |
| 154 | N | 90.7 | Very high | 78.6 | Confident | 62 Ų | 62 | 63.5 Ų | 63.5 | 33% | 0.332 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.2 | -34.6 | 178.9 | -70.6 | -11.7 | 0 | 0 | 0 | 111.7 | S151 V152 K157 S158 G165 | S151-N154 PolarHBondContact O-N 3.28Å; S151-N154 VanDerWaalsContact O-N 3.1Å; S151-N154 WeakPolarHBondContact OG-CB 3.14Å; S151-N154 PolarHBondContact OG-N 3.05Å; S151-N154 PolarHBondContact OG-ND2 3.29Å; V152-N154 VanDerWaalsContact C-N 3.35Å; V152-N154 PolarHBondContact O-N 2.9Å; N154-K157 PolarHBondContact O-N 3.41Å; N154-S158 PolarHBondContact O-N 3.33Å; N154-S158 VanDerWaalsContact O-N 3.12Å; N154-G165 WeakPolarHBondContact CB-O 3.44Å; N154-G165 WeakPolarHBondContact O-CA 3.27Å |
| 155 | I | 89.3 | Confident | 78.5 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 173 | -63.5 | 168.7 | 0 | 0 | 0 | 110.2 | N126 V150 S151 V152 E153 K157 S158 D201 | N126-I155 HydrophobicContact CB-CD1 4.39Å; N126-I155 WeakPolarHBondContact ND2-CD1 3.33Å; V150-I155 HydrophobicContact CG1-CD1 4.36Å; V150-I155 HydrophobicContact CG1-CG1 3.9Å; S151-I155 WeakPolarHBondContact O-CG1 3.42Å; S151-I155 PolarHBondContact O-N 2.83Å; V152-I155 WeakPolarHBondContact O-CB 3.43Å; V152-I155 PolarHBondContact O-N 3.4Å; E153-I155 VanDerWaalsContact C-N 3.34Å; I155-K157 PolarHBondContact O-N 3.26Å; I155-S158 WeakPolarHBondContact O-CB 3.39Å; I155-S158 PolarHBondContact O-N 2.91Å; I155-S158 VanDerWaalsContact O-N 3.1Å; I155-S158 PolarHBondContact O-OG 2.79Å; I155-D201 WeakPolarHBondContact CG2-OD2 3.5Å |
| 156 | M | 86.8 | Confident | 78.5 | Confident | 43 Ų | 43 | 58.5 Ų | 58.5 | 21% | 0.212 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.6 | -34.5 | 178.9 | -71.4 | 178.6 | 65.3 | 0 | 0 | 112.7 | V152 E153 S158 M647 R704 Q707 R708 | V152-M156 HydrophobicContact CG1-CG 4.28Å; V152-M156 HydrophobicContact CG1-SD 4.06Å; V152-M156 WeakPolarHBondContact O-CG 3.31Å; V152-M156 PolarHBondContact O-N 2.84Å; E153-M156 PolarHBondContact O-N 3.02Å; M156-S158 PolarHBondContact O-N 3.46Å; M156-M647 HydrophobicContact CE-CE 4.22Å; M156-R704 HydrophobicContact CE-CB 4.44Å; M156-R704 HydrophobicContact CG-CB 4.37Å; M156-R704 HydrophobicContact CG-CG 3.92Å; M156-R704 HydrophobicContact SD-CB 3.89Å; M156-R704 HydrophobicContact SD-CG 4.07Å; M156-Q707 HydrophobicContact SD-CB 3.77Å; M156-Q707 HydrophobicContact SD-CG 3.65Å; M156-R708 HydrophobicContact CE-CB 4.4Å |
| 157 | K | 82.1 | Confident | 78.4 | Confident | 101 Ų | 101 | 55 Ų | 55 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.7 | -21.2 | 172.4 | -69 | 173.2 | -172.9 | 169.3 | 0 | 112.7 | E153 N154 I155 D159 S160 | E153-K157 WeakPolarHBondContact O-CG 3.33Å; E153-K157 PolarHBondContact O-N 3.32Å; E153-K157 WeakPolarHBondContact OE1-CE 3.34Å; E153-K157 IonicContact OE1-NZ 2.85Å; E153-K157 PolarHBondContact OE1-NZ 3.37Å; N154-K157 PolarHBondContact O-N 3.41Å; I155-K157 PolarHBondContact O-N 3.26Å; K157-D159 PolarHBondContact O-N 3.46Å; K157-S160 WeakPolarHBondContact O-CB 3.33Å; K157-S160 PolarHBondContact O-N 3.09Å; K157-S160 PolarHBondContact O-OG 2.81Å |
| 158 | S | 64.5 | Low | 78.3 | Confident | 21 Ų | 21 | 50.8 Ų | 50.8 | 15% | 0.147 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.8 | -28 | -178 | 86.7 | 0 | 0 | 0 | 0 | 112.6 | N154 I155 M156 S160 G161 M162 | N154-S158 PolarHBondContact O-N 3.33Å; N154-S158 VanDerWaalsContact O-N 3.12Å; I155-S158 WeakPolarHBondContact O-CB 3.39Å; I155-S158 PolarHBondContact O-N 2.91Å; I155-S158 VanDerWaalsContact O-N 3.1Å; I155-S158 PolarHBondContact O-OG 2.79Å; M156-S158 PolarHBondContact O-N 3.46Å; S158-S160 PolarHBondContact O-N 2.76Å; S158-G161 PolarHBondContact O-N 2.8Å; S158-G161 VanDerWaalsContact O-N 3.13Å; S158-M162 CarbonylContact C-O 3.56Å; S158-M162 WeakPolarHBondContact CA-O 3.27Å; S158-M162 WeakPolarHBondContact CB-O 3.32Å |
| 159 | D | 57.4 | Low | 78.2 | Confident | 124 Ų | 124 | 52.8 Ų | 52.8 | 66% | 0.663 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -11.6 | 171.6 | -69.2 | -24.6 | 0 | 0 | 0 | 112.5 | K157 R704 | K157-D159 PolarHBondContact O-N 3.46Å; D159-R704 IonicContact OD2-NH1 3.79Å; D159-R704 PolarHBondContact OD2-NH1 2.85Å |
| 160 | S | 43.9 | Very low | 78.1 | Confident | 108 Ų | 108 | 52 Ų | 52 | 76% | 0.755 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 13.5 | 177.7 | 70.6 | 0 | 0 | 0 | 0 | 116.1 | K157 S158 | K157-S160 WeakPolarHBondContact O-CB 3.33Å; K157-S160 PolarHBondContact O-N 3.09Å; K157-S160 PolarHBondContact O-OG 2.81Å; S158-S160 PolarHBondContact O-N 2.76Å |
| 161 | G | 40.9 | Very low | 78 | Confident | 76 Ų | 76 | 52 Ų | 52 | 78% | 0.784 | 29% | 0.293 | S | S | * | . | S | Bend | trans | 125.8 | -1.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | S158 | S158-G161 PolarHBondContact O-N 2.8Å; S158-G161 VanDerWaalsContact O-N 3.13Å |
| 162 | M | 49.3 | Very low | 77.9 | Confident | 93 Ų | 93 | 53.5 Ų | 53.5 | 46% | 0.458 | 30% | 0.298 | S | S | . | . | trans | -92 | 124 | 163.7 | -70 | -171.9 | 76.7 | 0 | 0 | 108.4 | S158 A164 | S158-M162 CarbonylContact C-O 3.56Å; S158-M162 WeakPolarHBondContact CA-O 3.27Å; S158-M162 WeakPolarHBondContact CB-O 3.32Å; M162-A164 PolarHBondContact O-N 3.12Å | ||
| 163 | K | 57.1 | Low | 77.9 | Confident | 137 Ų | 137 | 61.2 Ų | 61.2 | 60% | 0.596 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -66.5 | 128.7 | 170.9 | -75.4 | -178.2 | 166.5 | -170.3 | 0 | 109.4 | G165 C166 E195 | K163-G165 VanDerWaalsContact C-N 3.31Å; K163-G165 PolarHBondContact O-N 3.33Å; K163-G165 VanDerWaalsContact O-N 3.15Å; K163-C166 VanDerWaalsContact O-O 3.08Å; K163-E195 WeakPolarHBondContact CD-OE1 3.42Å; K163-E195 IonicContact NZ-OE1 3.34Å; K163-E195 PolarHBondContact NZ-OE1 2.89Å |
| 164 | A | 67.5 | Low | 77.9 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 8% | 0.083 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | 68 | 5.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | M162 C166 V194 H197 A198 | M162-A164 PolarHBondContact O-N 3.12Å; A164-C166 PolarHBondContact O-N 3.26Å; A164-V194 HydrophobicContact CB-CG1 4.18Å; A164-V194 WeakPolarHBondContact CB-O 3.28Å; A164-H197 PolarHBondContact O-CE1 2.82Å; A164-H197 PolarHBondContact O-ND1 2.63Å; A164-A198 HydrophobicContact CB-CB 3.77Å |
| 165 | G | 82.9 | Confident | 78 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | 71.8 | 4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | N154 K163 | N154-G165 WeakPolarHBondContact CB-O 3.44Å; N154-G165 WeakPolarHBondContact O-CA 3.27Å; K163-G165 VanDerWaalsContact C-N 3.31Å; K163-G165 PolarHBondContact O-N 3.33Å; K163-G165 VanDerWaalsContact O-N 3.15Å |
| 166 | C | 88.2 | Confident | 78.2 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.02 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -146.3 | 158.3 | 167.8 | 68.2 | 0 | 0 | 0 | 0 | 111 | F148 V150 K163 A164 Q170 | F148-C166 HydrophobicContact CE1-CB 4.11Å; V150-C166 HydrophobicContact CG1-CB 4.37Å; V150-C166 HydrophobicContact CG2-CB 4.07Å; K163-C166 VanDerWaalsContact O-O 3.08Å; A164-C166 PolarHBondContact O-N 3.26Å; C166-Q170 VanDerWaalsContact CA-OE1 3.32Å |
| 167 | S | 90.6 | Very high | 78.6 | Confident | 29 Ų | 29 | 57.6 Ų | 57.6 | 20% | 0.203 | 33% | 0.325 | C | S | . | . | trans | -114.8 | 159.6 | 177.8 | 97 | 0 | 0 | 0 | 0 | 113 | E169 Q170 L171 | S167-E169 WeakPolarHBondContact CB-OE2 3.38Å; S167-E169 PolarHBondContact O-N 3.48Å; S167-E169 PolarHBondContact OG-N 2.89Å; S167-E169 PolarHBondContact OG-OE2 2.91Å; S167-Q170 WeakPolarHBondContact O-CB 3.42Å; S167-Q170 PolarHBondContact O-N 2.88Å; S167-Q170 PolarHBondContact OG-N 2.81Å; S167-L171 PolarHBondContact O-N 3.35Å; S167-L171 VanDerWaalsContact O-N 3.11Å | ||
| 168 | A | 91.5 | Very high | 79 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 7% | 0.074 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63 | -34.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L171 L172 A190 E191 V194 | A168-L171 PolarHBondContact O-N 2.92Å; A168-L172 WeakPolarHBondContact O-CB 3.2Å; A168-L172 VanDerWaalsContact O-CG 3.27Å; A168-L172 WeakPolarHBondContact O-CG 3.48Å; A168-L172 PolarHBondContact O-N 2.89Å; A168-A190 HydrophobicContact CB-CB 3.96Å; A168-E191 HydrophobicContact CB-CG 4.16Å; A168-V194 HydrophobicContact CB-CG2 4.44Å |
| 169 | E | 92.4 | Very high | 80.2 | Confident | 84 Ų | 84 | 57 Ų | 57 | 39% | 0.393 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 175.3 | -62 | 64.7 | -136.3 | 0 | 0 | 111 | S167 L171 L172 Q173 R187 | S167-E169 WeakPolarHBondContact CB-OE2 3.38Å; S167-E169 PolarHBondContact O-N 3.48Å; S167-E169 PolarHBondContact OG-N 2.89Å; S167-E169 PolarHBondContact OG-OE2 2.91Å; E169-L171 VanDerWaalsContact C-N 3.35Å; E169-L171 PolarHBondContact O-N 3.49Å; E169-L172 PolarHBondContact O-N 2.97Å; E169-Q173 WeakPolarHBondContact O-CB 3.34Å; E169-Q173 VanDerWaalsContact O-CG 3.23Å; E169-Q173 WeakPolarHBondContact O-CG 3.31Å; E169-Q173 PolarHBondContact O-N 3.07Å; E169-R187 IonicContact OE1-CZ 2.79Å; E169-R187 VanDerWaalsContact OE1-CZ 3.26Å; E169-R187 IonicContact OE1-NH1 2.72Å; E169-R187 PolarHBondContact OE1-NH1 2.74Å; E169-R187 IonicContact OE1-NH2 3.16Å; E169-R187 PolarHBondContact OE1-NH2 3.31Å |
| 170 | Q | 91.7 | Very high | 81.8 | Confident | 77 Ų | 77 | 51.8 Ų | 51.8 | 36% | 0.36 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 176.3 | -69 | 175.7 | -37.9 | 0 | 0 | 111.5 | C166 S167 Q173 S174 | C166-Q170 VanDerWaalsContact CA-OE1 3.32Å; S167-Q170 WeakPolarHBondContact O-CB 3.42Å; S167-Q170 PolarHBondContact O-N 2.88Å; S167-Q170 PolarHBondContact OG-N 2.81Å; Q170-Q173 PolarHBondContact O-N 3.3Å; Q170-S174 WeakPolarHBondContact O-CB 3.49Å; Q170-S174 PolarHBondContact O-N 3.44Å |
| 171 | L | 92.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 177.1 | -64.5 | -176.3 | 0 | 0 | 0 | 112.2 | F148 S167 A168 E169 S174 L176 A190 I193 V194 | F148-L171 HydrophobicContact CD1-CD2 3.59Å; F148-L171 HydrophobicContact CD2-CD2 4.16Å; F148-L171 HydrophobicContact CE1-CD2 3.61Å; F148-L171 HydrophobicContact CE2-CD2 4.18Å; F148-L171 HydrophobicContact CG-CD2 3.87Å; F148-L171 HydrophobicContact CZ-CD2 3.93Å; S167-L171 PolarHBondContact O-N 3.35Å; S167-L171 VanDerWaalsContact O-N 3.11Å; A168-L171 PolarHBondContact O-N 2.92Å; E169-L171 VanDerWaalsContact C-N 3.35Å; E169-L171 PolarHBondContact O-N 3.49Å; L171-S174 PolarHBondContact O-N 3.13Å; L171-S174 PolarHBondContact O-OG 2.78Å; L171-L176 HydrophobicContact CD2-CD2 3.92Å; L171-A190 HydrophobicContact CB-CB 4.2Å; L171-I193 HydrophobicContact CD1-CB 3.89Å; L171-I193 HydrophobicContact CD1-CG2 3.54Å; L171-V194 HydrophobicContact CD1-CG2 3.75Å; L171-V194 HydrophobicContact CG-CG2 4.47Å |
| 172 | L | 92.8 | Very high | 86.2 | Confident | 67 Ų | 67 | 55.2 Ų | 55.2 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68 | -33.2 | 177.3 | -72.9 | 166.4 | 0 | 0 | 0 | 113.3 | A168 E169 S174 L177 A186 A190 | A168-L172 WeakPolarHBondContact O-CB 3.2Å; A168-L172 VanDerWaalsContact O-CG 3.27Å; A168-L172 WeakPolarHBondContact O-CG 3.48Å; A168-L172 PolarHBondContact O-N 2.89Å; E169-L172 PolarHBondContact O-N 2.97Å; L172-S174 VanDerWaalsContact C-N 3.33Å; L172-L177 HydrophobicContact CD2-CD1 4.4Å; L172-A186 HydrophobicContact CD2-CB 4.01Å; L172-A190 HydrophobicContact CD1-CB 4.27Å; L172-A190 HydrophobicContact CD2-CB 4.12Å; L172-A190 HydrophobicContact CG-CB 3.79Å |
| 173 | Q | 91.9 | Very high | 88.1 | Confident | 163 Ų | 163 | 55.9 Ų | 55.9 | 76% | 0.762 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -77.7 | -21.3 | 174.9 | -70.3 | 170.6 | 6 | 0 | 0 | 112.3 | E169 Q170 | E169-Q173 WeakPolarHBondContact O-CB 3.34Å; E169-Q173 VanDerWaalsContact O-CG 3.23Å; E169-Q173 WeakPolarHBondContact O-CG 3.31Å; E169-Q173 PolarHBondContact O-N 3.07Å; Q170-Q173 PolarHBondContact O-N 3.3Å |
| 174 | S | 92.6 | Very high | 89.6 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 19% | 0.189 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -76.9 | 167.5 | 177 | 84.9 | 0 | 0 | 0 | 0 | 112.7 | Q170 L171 L172 L176 | Q170-S174 WeakPolarHBondContact O-CB 3.49Å; Q170-S174 PolarHBondContact O-N 3.44Å; L171-S174 PolarHBondContact O-N 3.13Å; L171-S174 PolarHBondContact O-OG 2.78Å; L172-S174 VanDerWaalsContact C-N 3.33Å; S174-L176 PolarHBondContact O-N 3.45Å; S174-L176 WeakPolarHBondContact OG-CB 3.38Å; S174-L176 PolarHBondContact OG-N 2.89Å; S174-L176 VanDerWaalsContact OG-N 3.13Å |
| 175 | S | 92.8 | Very high | 90.8 | Very high | 70 Ų | 70 | 55 Ų | 55 | 49% | 0.49 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -72.3 | -7.6 | 173.4 | 69.4 | 0 | 0 | 0 | 0 | 114 | L177 S178 | S175-L177 PolarHBondContact O-N 3.07Å; S175-S178 WeakPolarHBondContact O-CB 3.33Å; S175-S178 PolarHBondContact O-N 2.98Å; S175-S178 PolarHBondContact O-OG 2.91Å |
| 176 | L | 93.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -50.2 | -171.6 | -172.7 | 69.5 | 0 | 0 | 0 | 112.3 | I128 F130 K146 F148 L171 S174 | I128-L176 HydrophobicContact CG2-CD2 3.99Å; F130-L176 HydrophobicContact CB-CD1 3.62Å; F130-L176 HydrophobicContact CB-CG 3.85Å; F130-L176 WeakPolarHBondContact CD1-O 3.36Å; K146-L176 HydrophobicContact CB-CD1 4.27Å; K146-L176 VanDerWaalsContact O-CD1 3.31Å; K146-L176 WeakPolarHBondContact O-CD1 3.5Å; F148-L176 HydrophobicContact CB-CB 4.28Å; F148-L176 HydrophobicContact CB-CD1 3.93Å; F148-L176 HydrophobicContact CB-CD2 3.92Å; F148-L176 HydrophobicContact CB-CG 4.27Å; L171-L176 HydrophobicContact CD2-CD2 3.92Å; S174-L176 PolarHBondContact O-N 3.45Å; S174-L176 WeakPolarHBondContact OG-CB 3.38Å; S174-L176 PolarHBondContact OG-N 2.89Å; S174-L176 VanDerWaalsContact OG-N 3.13Å |
| 177 | L | 94.2 | Very high | 91.6 | Very high | 9 Ų | 9 | 59.2 Ų | 59.2 | 5% | 0.047 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 10.5 | -175.6 | -58.8 | -179.5 | 0 | 0 | 0 | 113.5 | F130 L172 S175 G179 V180 A186 L189 A190 I193 | F130-L177 HydrophobicContact CD1-CD2 3.69Å; F130-L177 HydrophobicContact CD2-CD2 3.96Å; F130-L177 HydrophobicContact CE1-CD2 3.74Å; F130-L177 HydrophobicContact CE2-CD2 4Å; F130-L177 HydrophobicContact CG-CD2 3.8Å; F130-L177 HydrophobicContact CZ-CD2 3.9Å; L172-L177 HydrophobicContact CD2-CD1 4.4Å; S175-L177 PolarHBondContact O-N 3.07Å; L177-G179 PolarHBondContact O-N 2.8Å; L177-V180 HydrophobicContact CB-CG2 4.41Å; L177-V180 WeakPolarHBondContact O-CB 3.14Å; L177-V180 PolarHBondContact O-N 2.69Å; L177-A186 WeakPolarHBondContact CD1-O 3.42Å; L177-L189 HydrophobicContact CD1-CB 4.09Å; L177-L189 HydrophobicContact CD2-CB 4.22Å; L177-L189 HydrophobicContact CD2-CD1 4.42Å; L177-A190 HydrophobicContact CD1-CB 3.8Å; L177-I193 HydrophobicContact CD2-CD1 4.01Å |
| 178 | S | 91.1 | Very high | 91.7 | Very high | 83 Ų | 83 | 58 Ų | 58 | 58% | 0.58 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -23 | -175.9 | 59.3 | 0 | 0 | 0 | 0 | 114.8 | S175 | S175-S178 WeakPolarHBondContact O-CB 3.33Å; S175-S178 PolarHBondContact O-N 2.98Å; S175-S178 PolarHBondContact O-OG 2.91Å |
| 179 | G | 89.9 | Confident | 91.9 | Very high | 26 Ų | 26 | 57.6 Ų | 57.6 | 27% | 0.268 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -8.8 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | L177 K181 | L177-G179 PolarHBondContact O-N 2.8Å; G179-K181 PolarHBondContact O-N 3.06Å |
| 180 | V | 91.3 | Very high | 92 | Very high | 15 Ų | 15 | 53.6 Ų | 53.6 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | trans | -84.9 | 105.4 | -177.8 | -175 | 0 | 0 | 0 | 0 | 109.8 | Y115 F130 H132 L177 C182 R185 A186 L189 | Y115-V180 HydrophobicContact CE1-CG2 4.37Å; F130-V180 HydrophobicContact CE1-CG2 3.56Å; F130-V180 HydrophobicContact CZ-CG2 3.69Å; H132-V180 HydrophobicContact CB-CG2 4.49Å; L177-V180 HydrophobicContact CB-CG2 4.41Å; L177-V180 WeakPolarHBondContact O-CB 3.14Å; L177-V180 PolarHBondContact O-N 2.69Å; V180-C182 VanDerWaalsContact C-N 3.33Å; V180-C182 PolarHBondContact O-N 3.21Å; V180-R185 HydrophobicContact CG1-CB 4.03Å; V180-A186 HydrophobicContact CB-CB 4.11Å; V180-A186 HydrophobicContact CG1-CB 3.98Å; V180-L189 HydrophobicContact CG1-CD1 4.2Å; V180-L189 HydrophobicContact CG2-CD1 3.77Å | ||
| 181 | K | 87.7 | Confident | 92.1 | Very high | 206 Ų | 206 | 52.7 Ų | 52.7 | 90% | 0.896 | 28% | 0.282 | S | S | * | . | trans | -65.7 | -29.9 | -174.1 | -63.8 | -178.5 | -178.8 | 176.2 | 0 | 114.6 | G179 P183 | G179-K181 PolarHBondContact O-N 3.06Å; K181-P183 WeakPolarHBondContact O-CD 3.34Å | ||
| 182 | C | 88.2 | Confident | 92.3 | Very high | 50 Ų | 50 | 52.7 Ų | 52.7 | 34% | 0.338 | 28% | 0.282 | S | S | . | . | trans | -93.4 | 115.4 | -176.7 | 178.1 | 0 | 0 | 0 | 0 | 110.4 | V180 K184 R185 A186 | V180-C182 VanDerWaalsContact C-N 3.33Å; V180-C182 PolarHBondContact O-N 3.21Å; C182-K184 VanDerWaalsContact C-N 3.27Å; C182-K184 PolarHBondContact O-N 2.68Å; C182-R185 HydrophobicContact CB-CB 4.04Å; C182-R185 HydrophobicContact CB-CG 4.01Å; C182-R185 PolarHBondContact O-N 2.84Å; C182-R185 VanDerWaalsContact O-N 3.12Å; C182-A186 PolarHBondContact O-N 3.1Å | ||
| 183 | P | 89.3 | Confident | 92.4 | Very high | 107 Ų | 107 | 49.5 Ų | 49.5 | 70% | 0.695 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -57.9 | -37.4 | -179.6 | -26.1 | 35.1 | 0 | 0 | 0 | 113.5 | K181 A186 R187 | K181-P183 WeakPolarHBondContact O-CD 3.34Å; P183-A186 PolarHBondContact O-N 2.78Å; P183-R187 PolarHBondContact O-N 3.31Å |
| 184 | K | 90.2 | Very high | 92.5 | Very high | 89 Ų | 89 | 42.4 Ų | 42.4 | 39% | 0.387 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.4 | -46 | 176.4 | -171.1 | 177 | -175 | 174.5 | 0 | 111.6 | C182 R187 M188 D247 | C182-K184 VanDerWaalsContact C-N 3.27Å; C182-K184 PolarHBondContact O-N 2.68Å; K184-R187 PolarHBondContact O-N 3.34Å; K184-M188 WeakPolarHBondContact O-CG 3.43Å; K184-M188 PolarHBondContact O-N 2.91Å; K184-D247 IonicContact NZ-OD2 3.65Å |
| 185 | R | 91.7 | Very high | 92.5 | Very high | 38 Ų | 38 | 42.9 Ų | 42.9 | 14% | 0.143 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.1 | -39.5 | 175.5 | -67.1 | -172 | -180 | -178.9 | -5.5 | 111.7 | Q112 E113 Y115 V180 C182 R187 M188 L189 I215 L252 | Q112-R185 PolarHBondContact O-NH1 3.27Å; E113-R185 IonicContact OE1-CZ 3.32Å; E113-R185 IonicContact OE1-NH2 2.9Å; E113-R185 PolarHBondContact OE1-NH2 3.15Å; Y115-R185 WeakPolarHBondContact OH-CD 3.43Å; Y115-R185 PolarHBondContact OH-NH1 3.05Å; V180-R185 HydrophobicContact CG1-CB 4.03Å; C182-R185 HydrophobicContact CB-CB 4.04Å; C182-R185 HydrophobicContact CB-CG 4.01Å; C182-R185 PolarHBondContact O-N 2.84Å; C182-R185 VanDerWaalsContact O-N 3.12Å; R185-R187 PolarHBondContact O-N 3.48Å; R185-M188 PolarHBondContact O-N 2.84Å; R185-L189 WeakPolarHBondContact O-CB 3.48Å; R185-L189 WeakPolarHBondContact O-CG 3.47Å; R185-L189 PolarHBondContact O-N 3.45Å; R185-I215 HydrophobicContact CG-CG2 4.17Å; R185-I215 PolarHBondContact NH2-O 3.13Å; R185-L252 HydrophobicContact CG-CD1 4.28Å |
| 186 | A | 93.3 | Very high | 92.6 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 7% | 0.074 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.5 | -44.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L172 L177 V180 C182 P183 L189 A190 | L172-A186 HydrophobicContact CD2-CB 4.01Å; L177-A186 WeakPolarHBondContact CD1-O 3.42Å; V180-A186 HydrophobicContact CB-CB 4.11Å; V180-A186 HydrophobicContact CG1-CB 3.98Å; C182-A186 PolarHBondContact O-N 3.1Å; P183-A186 PolarHBondContact O-N 2.78Å; A186-L189 PolarHBondContact O-N 2.7Å; A186-A190 WeakPolarHBondContact O-CB 3.19Å; A186-A190 PolarHBondContact O-N 3.08Å |
| 187 | R | 94.1 | Very high | 92.7 | Very high | 84 Ų | 84 | 39.6 Ų | 39.6 | 32% | 0.317 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.9 | -45.7 | 175.7 | -178.1 | 60.7 | -175.5 | -174.2 | 1.8 | 112.2 | E169 P183 K184 R185 L189 A190 E191 | E169-R187 IonicContact OE1-CZ 2.79Å; E169-R187 VanDerWaalsContact OE1-CZ 3.26Å; E169-R187 IonicContact OE1-NH1 2.72Å; E169-R187 PolarHBondContact OE1-NH1 2.74Å; E169-R187 IonicContact OE1-NH2 3.16Å; E169-R187 PolarHBondContact OE1-NH2 3.31Å; P183-R187 PolarHBondContact O-N 3.31Å; K184-R187 PolarHBondContact O-N 3.34Å; R185-R187 PolarHBondContact O-N 3.48Å; R187-L189 VanDerWaalsContact C-N 3.32Å; R187-L189 PolarHBondContact O-N 3.32Å; R187-A190 PolarHBondContact O-N 2.85Å; R187-E191 IonicContact CZ-OE1 3.56Å; R187-E191 IonicContact NE-OE1 3.63Å; R187-E191 PolarHBondContact NE-OE1 3.48Å; R187-E191 IonicContact NH2-OE1 3.41Å; R187-E191 WeakPolarHBondContact O-CG 3.41Å; R187-E191 PolarHBondContact O-N 3.25Å |
| 188 | M | 94.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.02 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.1 | -43.1 | 176.4 | -73.3 | 176.1 | 61 | 0 | 0 | 112.2 | Y21 K23 K184 R185 F192 I215 L252 I254 | Y21-M188 WeakPolarHBondContact OH-CA 3.37Å; Y21-M188 PolarHBondContact OH-O 3.15Å; K23-M188 HydrophobicContact CB-CE 4.26Å; K23-M188 HydrophobicContact CD-CE 3.95Å; K23-M188 HydrophobicContact CD-CG 4.36Å; K23-M188 HydrophobicContact CD-SD 4.35Å; K184-M188 WeakPolarHBondContact O-CG 3.43Å; K184-M188 PolarHBondContact O-N 2.91Å; R185-M188 PolarHBondContact O-N 2.84Å; M188-F192 VanDerWaalsContact O-CB 3.3Å; M188-F192 WeakPolarHBondContact O-CB 3.11Å; M188-F192 PolarHBondContact O-N 2.82Å; M188-I215 HydrophobicContact CE-CG2 4.04Å; M188-L252 HydrophobicContact CE-CB 3.97Å; M188-L252 WeakPolarHBondContact CE-O 3.16Å; M188-L252 HydrophobicContact SD-CB 4.06Å; M188-I254 HydrophobicContact CE-CG1 4.13Å |
| 189 | L | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 174.6 | -77.3 | 166.3 | 0 | 0 | 0 | 111.6 | Y115 F130 L177 V180 R185 A186 R187 E191 F192 I193 L213 I215 | Y115-L189 HydrophobicContact CD1-CD1 4.41Å; Y115-L189 HydrophobicContact CD2-CD1 4.38Å; Y115-L189 HydrophobicContact CD2-CD2 4.39Å; Y115-L189 HydrophobicContact CE1-CD1 4.44Å; Y115-L189 HydrophobicContact CE2-CD1 4.4Å; Y115-L189 HydrophobicContact CG-CD1 4.39Å; F130-L189 HydrophobicContact CE2-CD1 3.91Å; F130-L189 HydrophobicContact CE2-CD2 4.02Å; F130-L189 HydrophobicContact CZ-CD1 3.63Å; L177-L189 HydrophobicContact CD1-CB 4.09Å; L177-L189 HydrophobicContact CD2-CB 4.22Å; L177-L189 HydrophobicContact CD2-CD1 4.42Å; V180-L189 HydrophobicContact CG1-CD1 4.2Å; V180-L189 HydrophobicContact CG2-CD1 3.77Å; R185-L189 WeakPolarHBondContact O-CB 3.48Å; R185-L189 WeakPolarHBondContact O-CG 3.47Å; R185-L189 PolarHBondContact O-N 3.45Å; A186-L189 PolarHBondContact O-N 2.7Å; R187-L189 VanDerWaalsContact C-N 3.32Å; R187-L189 PolarHBondContact O-N 3.32Å; L189-E191 PolarHBondContact O-N 3.15Å; L189-F192 PolarHBondContact O-N 3.31Å; L189-I193 HydrophobicContact CB-CD1 4.4Å; L189-I193 VanDerWaalsContact O-CB 3.27Å; L189-I193 WeakPolarHBondContact O-CB 3.46Å; L189-I193 WeakPolarHBondContact O-CD1 3.38Å; L189-I193 WeakPolarHBondContact O-CG1 3.47Å; L189-I193 PolarHBondContact O-N 2.72Å; L189-L213 HydrophobicContact CD2-CD2 3.64Å; L189-I215 HydrophobicContact CD1-CD1 4.18Å; L189-I215 HydrophobicContact CD2-CD1 3.67Å; L189-I215 HydrophobicContact CG-CD1 3.55Å |
| 190 | A | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.4 | -47.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | A168 L171 L172 L177 A186 R187 I193 V194 | A168-A190 HydrophobicContact CB-CB 3.96Å; L171-A190 HydrophobicContact CB-CB 4.2Å; L172-A190 HydrophobicContact CD1-CB 4.27Å; L172-A190 HydrophobicContact CD2-CB 4.12Å; L172-A190 HydrophobicContact CG-CB 3.79Å; L177-A190 HydrophobicContact CD1-CB 3.8Å; A186-A190 WeakPolarHBondContact O-CB 3.19Å; A186-A190 PolarHBondContact O-N 3.08Å; R187-A190 PolarHBondContact O-N 2.85Å; A190-I193 PolarHBondContact O-N 2.84Å; A190-V194 WeakPolarHBondContact O-CG2 3.35Å; A190-V194 PolarHBondContact O-N 3.07Å; A190-V194 VanDerWaalsContact O-N 3.16Å |
| 191 | E | 94 | Very high | 93 | Very high | 58 Ų | 58 | 35.7 Ų | 35.7 | 27% | 0.271 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 177.6 | -68.2 | 168.3 | 175.7 | 0 | 0 | 112 | Y21 A168 R187 L189 E195 | Y21-E191 HydrophobicContact CD2-CB 4.39Å; Y21-E191 HydrophobicContact CE2-CB 3.58Å; Y21-E191 PolarHBondContact OH-OE2 3.25Å; Y21-E191 VanDerWaalsContact OH-OE2 3.13Å; A168-E191 HydrophobicContact CB-CG 4.16Å; R187-E191 IonicContact CZ-OE1 3.56Å; R187-E191 IonicContact NE-OE1 3.63Å; R187-E191 PolarHBondContact NE-OE1 3.48Å; R187-E191 IonicContact NH2-OE1 3.41Å; R187-E191 WeakPolarHBondContact O-CG 3.41Å; R187-E191 PolarHBondContact O-N 3.25Å; L189-E191 PolarHBondContact O-N 3.15Å; E191-E195 PolarHBondContact O-N 3.24Å |
| 192 | F | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.8 | -42.3 | 177.6 | 172.4 | -105.9 | 0 | 0 | 0 | 112.8 | I19 Y21 L24 L117 M188 L189 V194 E195 L196 L213 I254 I256 | I19-F192 HydrophobicContact CD1-CD2 3.91Å; I19-F192 HydrophobicContact CD1-CE2 3.58Å; Y21-F192 HydrophobicContact CD1-CB 4.08Å; Y21-F192 AromaticContact CD1-CD2 3.97Å; Y21-F192 HydrophobicContact CD1-CD2 3.97Å; Y21-F192 HydrophobicContact CD1-CG 4.49Å; Y21-F192 HydrophobicContact CE1-CB 4Å; Y21-F192 HydrophobicContact CG-CD2 4.49Å; L24-F192 HydrophobicContact CD1-CD2 4.49Å; L24-F192 HydrophobicContact CD1-CE2 3.76Å; L24-F192 HydrophobicContact CD1-CZ 4.35Å; L24-F192 HydrophobicContact CD2-CE2 4.27Å; L24-F192 HydrophobicContact CG-CE2 4.46Å; L117-F192 HydrophobicContact CD2-CE1 4.08Å; M188-F192 VanDerWaalsContact O-CB 3.3Å; M188-F192 WeakPolarHBondContact O-CB 3.11Å; M188-F192 PolarHBondContact O-N 2.82Å; L189-F192 PolarHBondContact O-N 3.31Å; F192-V194 VanDerWaalsContact C-N 3.33Å; F192-V194 PolarHBondContact O-N 3Å; F192-E195 PolarHBondContact O-N 3.37Å; F192-L196 HydrophobicContact CE1-CD2 3.89Å; F192-L196 HydrophobicContact CZ-CB 4.43Å; F192-L196 HydrophobicContact CZ-CD1 4.5Å; F192-L196 HydrophobicContact CZ-CD2 3.93Å; F192-L196 VanDerWaalsContact O-CB 3.23Å; F192-L196 WeakPolarHBondContact O-CB 3.48Å; F192-L196 PolarHBondContact O-N 2.86Å; F192-L213 HydrophobicContact CD1-CD2 4.24Å; F192-L213 HydrophobicContact CE1-CD1 3.72Å; F192-L213 HydrophobicContact CE1-CD2 3.99Å; F192-L213 HydrophobicContact CZ-CD1 4.12Å; F192-I254 HydrophobicContact CB-CD1 3.35Å; F192-I254 HydrophobicContact CD1-CD1 4.04Å; F192-I254 HydrophobicContact CD1-CG2 4.31Å; F192-I254 HydrophobicContact CD2-CD1 4.07Å; F192-I254 HydrophobicContact CD2-CG2 4.47Å; F192-I254 HydrophobicContact CE1-CG2 4.26Å; F192-I254 HydrophobicContact CE2-CG2 4.42Å; F192-I254 HydrophobicContact CG-CD1 3.55Å; F192-I254 HydrophobicContact CG-CG2 4.42Å; F192-I254 HydrophobicContact CZ-CG2 4.31Å; F192-I256 HydrophobicContact CE2-CD1 4.49Å; F192-I256 HydrophobicContact CZ-CD1 4.02Å; F192-I256 HydrophobicContact CZ-CG1 4.29Å |
| 193 | I | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.9 | -40 | 179.7 | -72.7 | 166.7 | 0 | 0 | 0 | 110.7 | L117 M119 I128 F130 L171 L177 L189 A190 L196 H197 | L117-I193 HydrophobicContact CD1-CD1 4Å; L117-I193 HydrophobicContact CD1-CG1 3.94Å; L117-I193 HydrophobicContact CD2-CG1 3.91Å; M119-I193 HydrophobicContact CE-CG2 3.81Å; M119-I193 WeakPolarHBondContact CE-O 3.36Å; I128-I193 HydrophobicContact CD1-CG2 3.88Å; I128-I193 HydrophobicContact CG2-CG2 3.99Å; F130-I193 HydrophobicContact CD2-CD1 4.4Å; L171-I193 HydrophobicContact CD1-CB 3.89Å; L171-I193 HydrophobicContact CD1-CG2 3.54Å; L177-I193 HydrophobicContact CD2-CD1 4.01Å; L189-I193 HydrophobicContact CB-CD1 4.4Å; L189-I193 VanDerWaalsContact O-CB 3.27Å; L189-I193 WeakPolarHBondContact O-CB 3.46Å; L189-I193 WeakPolarHBondContact O-CD1 3.38Å; L189-I193 WeakPolarHBondContact O-CG1 3.47Å; L189-I193 PolarHBondContact O-N 2.72Å; A190-I193 PolarHBondContact O-N 2.84Å; I193-L196 PolarHBondContact O-N 3.2Å; I193-H197 VanDerWaalsContact O-CB 3.29Å; I193-H197 WeakPolarHBondContact O-CB 3.17Å; I193-H197 PolarHBondContact O-N 3.3Å |
| 194 | V | 93.8 | Very high | 93.6 | Very high | 14 Ų | 14 | 25.3 Ų | 25.3 | 9% | 0.085 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.5 | -49.2 | 176.5 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | A164 A168 L171 A190 F192 L196 H197 A198 | A164-V194 HydrophobicContact CB-CG1 4.18Å; A164-V194 WeakPolarHBondContact CB-O 3.28Å; A168-V194 HydrophobicContact CB-CG2 4.44Å; L171-V194 HydrophobicContact CD1-CG2 3.75Å; L171-V194 HydrophobicContact CG-CG2 4.47Å; A190-V194 WeakPolarHBondContact O-CG2 3.35Å; A190-V194 PolarHBondContact O-N 3.07Å; A190-V194 VanDerWaalsContact O-N 3.16Å; F192-V194 VanDerWaalsContact C-N 3.33Å; F192-V194 PolarHBondContact O-N 3Å; V194-L196 PolarHBondContact O-N 3.14Å; V194-H197 PolarHBondContact O-N 2.76Å; V194-A198 PolarHBondContact O-N 3.28Å |
| 195 | E | 92.9 | Very high | 93.8 | Very high | 37 Ų | 37 | 21.2 Ų | 21.2 | 17% | 0.173 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.3 | -37.4 | 178.8 | -71.2 | -74.2 | 154.4 | 0 | 0 | 111.7 | I19 K163 E191 F192 A198 V199 | I19-E195 HydrophobicContact CD1-CB 4.41Å; I19-E195 HydrophobicContact CG1-CB 4.15Å; K163-E195 WeakPolarHBondContact CD-OE1 3.42Å; K163-E195 IonicContact NZ-OE1 3.34Å; K163-E195 PolarHBondContact NZ-OE1 2.89Å; E191-E195 PolarHBondContact O-N 3.24Å; F192-E195 PolarHBondContact O-N 3.37Å; E195-A198 WeakPolarHBondContact O-CB 3.11Å; E195-A198 PolarHBondContact O-N 2.83Å; E195-V199 WeakPolarHBondContact O-CG2 3.25Å; E195-V199 PolarHBondContact O-N 3.05Å; E195-V199 VanDerWaalsContact O-N 3.16Å |
| 196 | L | 95.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.1 | -38.3 | 175.5 | -174.7 | 66.2 | 0 | 0 | 0 | 111.9 | I15 I19 L117 M119 F192 I193 V194 A198 V199 F200 L208 I210 | I15-L196 HydrophobicContact CD1-CD1 4.33Å; I15-L196 HydrophobicContact CG1-CD1 4.23Å; I15-L196 HydrophobicContact CG2-CD1 3.84Å; I19-L196 HydrophobicContact CD1-CB 4.15Å; I19-L196 HydrophobicContact CD1-CD1 4.17Å; L117-L196 HydrophobicContact CD2-CD2 3.7Å; M119-L196 HydrophobicContact CE-CB 4.21Å; M119-L196 HydrophobicContact CE-CD2 4.07Å; M119-L196 HydrophobicContact CE-CG 4.2Å; M119-L196 HydrophobicContact SD-CD2 4.49Å; M119-L196 HydrophobicContact SD-CG 4.39Å; F192-L196 HydrophobicContact CE1-CD2 3.89Å; F192-L196 HydrophobicContact CZ-CB 4.43Å; F192-L196 HydrophobicContact CZ-CD1 4.5Å; F192-L196 HydrophobicContact CZ-CD2 3.93Å; F192-L196 VanDerWaalsContact O-CB 3.23Å; F192-L196 WeakPolarHBondContact O-CB 3.48Å; F192-L196 PolarHBondContact O-N 2.86Å; I193-L196 PolarHBondContact O-N 3.2Å; V194-L196 PolarHBondContact O-N 3.14Å; L196-A198 VanDerWaalsContact C-N 3.32Å; L196-V199 PolarHBondContact O-N 3.27Å; L196-F200 WeakPolarHBondContact O-CB 3.3Å; L196-F200 PolarHBondContact O-N 3.23Å; L196-L208 HydrophobicContact CD1-CD2 3.94Å; L196-L208 HydrophobicContact CD2-CD2 4.05Å; L196-L208 HydrophobicContact CG-CD2 4.01Å; L196-I210 HydrophobicContact CD2-CD1 3.72Å |
| 197 | H | 94.9 | Very high | 94 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.8 | -36.6 | 174.7 | 175.3 | -85.2 | 0 | 0 | 0 | 111.7 | M119 N126 A164 I193 V194 V199 F200 D201 | M119-H197 HydrophobicContact CE-CB 4.02Å; M119-H197 HydrophobicContact SD-CB 4.11Å; N126-H197 WeakPolarHBondContact CB-NE2 3.29Å; N126-H197 PolarHBondContact ND2-NE2 2.94Å; N126-H197 VanDerWaalsContact ND2-NE2 3.19Å; A164-H197 PolarHBondContact O-CE1 2.82Å; A164-H197 PolarHBondContact O-ND1 2.63Å; I193-H197 VanDerWaalsContact O-CB 3.29Å; I193-H197 WeakPolarHBondContact O-CB 3.17Å; I193-H197 PolarHBondContact O-N 3.3Å; V194-H197 PolarHBondContact O-N 2.76Å; H197-V199 VanDerWaalsContact C-N 3.33Å; H197-V199 PolarHBondContact O-N 3.28Å; H197-F200 WeakPolarHBondContact O-CB 3.37Å; H197-F200 PolarHBondContact O-N 2.77Å; H197-D201 PolarHBondContact O-N 3.19Å |
| 198 | A | 92.2 | Very high | 94.1 | Very high | 29 Ų | 29 | 18 Ų | 18 | 24% | 0.24 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.3 | -44.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A164 V194 E195 L196 K202 | A164-A198 HydrophobicContact CB-CB 3.77Å; V194-A198 PolarHBondContact O-N 3.28Å; E195-A198 WeakPolarHBondContact O-CB 3.11Å; E195-A198 PolarHBondContact O-N 2.83Å; L196-A198 VanDerWaalsContact C-N 3.32Å; A198-K202 WeakPolarHBondContact O-CB 3.25Å; A198-K202 PolarHBondContact O-N 3.05Å |
| 199 | V | 93.1 | Very high | 94.1 | Very high | 6 Ų | 6 | 19.7 Ų | 19.7 | 4% | 0.036 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.8 | -41 | 176.1 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | I19 E195 L196 H197 D201 K202 L203 | I19-V199 HydrophobicContact CB-CG2 4.07Å; I19-V199 HydrophobicContact CG1-CG2 4.33Å; E195-V199 WeakPolarHBondContact O-CG2 3.25Å; E195-V199 PolarHBondContact O-N 3.05Å; E195-V199 VanDerWaalsContact O-N 3.16Å; L196-V199 PolarHBondContact O-N 3.27Å; H197-V199 VanDerWaalsContact C-N 3.33Å; H197-V199 PolarHBondContact O-N 3.28Å; V199-D201 PolarHBondContact O-N 3.47Å; V199-K202 PolarHBondContact O-N 3.37Å; V199-L203 HydrophobicContact CG1-CD1 3.78Å; V199-L203 HydrophobicContact CG1-CG 4.23Å; V199-L203 WeakPolarHBondContact O-CB 3.34Å; V199-L203 PolarHBondContact O-N 2.88Å |
| 200 | F | 94.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 0% | 0.004 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -56.1 | -49.1 | 176.6 | 178.4 | -83 | 0 | 0 | 0 | 111.5 | M119 T121 L196 H197 Y204 F205 L208 | M119-F200 HydrophobicContact CB-CD2 3.76Å; M119-F200 HydrophobicContact CB-CE2 3.72Å; M119-F200 HydrophobicContact CB-CG 4.35Å; M119-F200 HydrophobicContact CB-CZ 4.28Å; M119-F200 WeakPolarHBondContact O-CE2 3.41Å; M119-F200 HydrophobicContact SD-CB 4.23Å; M119-F200 HydrophobicContact SD-CD2 4.39Å; M119-F200 HydrophobicContact SD-CG 4.36Å; T121-F200 HydrophobicContact CG2-CE1 3.69Å; T121-F200 HydrophobicContact CG2-CZ 3.88Å; L196-F200 WeakPolarHBondContact O-CB 3.3Å; L196-F200 PolarHBondContact O-N 3.23Å; H197-F200 WeakPolarHBondContact O-CB 3.37Å; H197-F200 PolarHBondContact O-N 2.77Å; F200-Y204 PolarHBondContact O-N 2.96Å; F200-F205 HydrophobicContact CB-CB 4.42Å; F200-F205 HydrophobicContact CD1-CB 4.4Å; F200-F205 HydrophobicContact CD2-CB 3.33Å; F200-F205 HydrophobicContact CD2-CG 4.2Å; F200-F205 VanDerWaalsContact CE1-O 3.29Å; F200-F205 WeakPolarHBondContact CE1-O 3.39Å; F200-F205 HydrophobicContact CE2-CB 3.51Å; F200-F205 HydrophobicContact CG-CB 3.81Å; F200-F205 HydrophobicContact CZ-CB 4.12Å; F200-F205 VanDerWaalsContact CZ-O 3.26Å; F200-F205 WeakPolarHBondContact CZ-O 3.44Å; F200-F205 PolarHBondContact O-N 3.34Å; F200-L208 HydrophobicContact CD2-CB 3.71Å; F200-L208 HydrophobicContact CD2-CD2 4.23Å; F200-L208 HydrophobicContact CE2-CB 3.86Å |
| 201 | D | 92.5 | Very high | 94.2 | Very high | 15 Ų | 15 | 20.9 Ų | 20.9 | 8% | 0.08 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -70.1 | -47.4 | 179.2 | -163.9 | 70.5 | 0 | 0 | 0 | 112.1 | I155 H197 V199 L203 Y204 N700 R703 R704 | I155-D201 WeakPolarHBondContact CG2-OD2 3.5Å; H197-D201 PolarHBondContact O-N 3.19Å; V199-D201 PolarHBondContact O-N 3.47Å; D201-L203 PolarHBondContact O-N 3.41Å; D201-Y204 PolarHBondContact O-N 2.76Å; D201-N700 VanDerWaalsContact CG-ND2 3.32Å; D201-N700 PolarHBondContact OD1-ND2 3.13Å; D201-N700 PolarHBondContact OD1-OD1 2.88Å; D201-N700 PolarHBondContact OD2-ND2 2.98Å; D201-R703 IonicContact OD1-NH2 3.77Å; D201-R704 IonicContact OD2-NH2 2.89Å; D201-R704 PolarHBondContact OD2-NH2 2.65Å |
| 202 | K | 91.3 | Very high | 94.2 | Very high | 111 Ų | 111 | 19 Ų | 19 | 48% | 0.483 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -59.4 | -43.8 | -177.7 | -179 | -174.9 | 174.2 | -165.4 | 0 | 112.5 | A198 V199 Y204 F271 E276 | A198-K202 WeakPolarHBondContact O-CB 3.25Å; A198-K202 PolarHBondContact O-N 3.05Å; V199-K202 PolarHBondContact O-N 3.37Å; K202-Y204 VanDerWaalsContact C-N 3.32Å; K202-Y204 WeakPolarHBondContact O-CD2 3.35Å; K202-F271 WeakPolarHBondContact O-CZ 3.46Å; K202-E276 WeakPolarHBondContact CE-OE1 3.31Å; K202-E276 IonicContact NZ-OE1 3.64Å; K202-E276 PolarHBondContact NZ-OE1 2.87Å |
| 203 | L | 93.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 9.5 | -177.1 | -62.3 | -173.7 | 0 | 0 | 0 | 113.3 | L14 S18 V199 D201 F205 F271 E276 W277 | L14-L203 HydrophobicContact CB-CD1 4.09Å; S18-L203 WeakPolarHBondContact OG-CD1 3.12Å; V199-L203 HydrophobicContact CG1-CD1 3.78Å; V199-L203 HydrophobicContact CG1-CG 4.23Å; V199-L203 WeakPolarHBondContact O-CB 3.34Å; V199-L203 PolarHBondContact O-N 2.88Å; D201-L203 PolarHBondContact O-N 3.41Å; L203-F205 VanDerWaalsContact C-N 3.31Å; L203-F205 HydrophobicContact CB-CD2 3.83Å; L203-F205 HydrophobicContact CB-CE2 3.69Å; L203-F205 HydrophobicContact CD1-CE2 3.92Å; L203-F205 HydrophobicContact CG-CE2 4.43Å; L203-F205 PolarHBondContact O-N 3.17Å; L203-F271 HydrophobicContact CD2-CE1 4.16Å; L203-E276 HydrophobicContact CD2-CB 4.29Å; L203-W277 WeakPolarHBondContact O-CZ2 3.34Å; L203-W277 PolarHBondContact O-NE1 3.24Å; L203-W277 VanDerWaalsContact O-NE1 3.15Å |
| 204 | Y | 94.4 | Very high | 94.2 | Very high | 34 Ų | 34 | 19 Ų | 19 | 13% | 0.133 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 41 | 177.7 | -67.2 | -110 | 0 | 0 | 0 | 113.1 | F200 D201 K202 D264 A267 L270 F271 P698 N700 M701 | F200-Y204 PolarHBondContact O-N 2.96Å; D201-Y204 PolarHBondContact O-N 2.76Å; K202-Y204 VanDerWaalsContact C-N 3.32Å; K202-Y204 WeakPolarHBondContact O-CD2 3.35Å; Y204-D264 PolarHBondContact O-N 3.07Å; Y204-A267 HydrophobicContact CD1-CB 3.66Å; Y204-A267 HydrophobicContact CD2-CB 4.11Å; Y204-A267 HydrophobicContact CE1-CB 4.22Å; Y204-A267 HydrophobicContact CG-CB 3.6Å; Y204-L270 HydrophobicContact CE1-CD1 4.28Å; Y204-L270 HydrophobicContact CE2-CD1 4.01Å; Y204-F271 AromaticContact CD2-CE2 3.73Å; Y204-F271 HydrophobicContact CD2-CE2 3.73Å; Y204-F271 AromaticContact CD2-CZ 3.63Å; Y204-F271 HydrophobicContact CD2-CZ 3.63Å; Y204-F271 HydrophobicContact CE2-CE2 4.24Å; Y204-F271 AromaticContact CE2-CZ 3.99Å; Y204-F271 HydrophobicContact CE2-CZ 3.99Å; Y204-F271 HydrophobicContact CG-CE2 4.46Å; Y204-P698 HydrophobicContact CD1-CB 3.85Å; Y204-P698 HydrophobicContact CE1-CB 3.64Å; Y204-P698 HydrophobicContact CE1-CG 4.39Å; Y204-N700 HydrophobicContact CD1-CB 3.73Å; Y204-N700 HydrophobicContact CE1-CB 3.73Å; Y204-M701 HydrophobicContact CE1-CG 4.06Å; Y204-M701 HydrophobicContact CE1-SD 4.32Å |
| 205 | F | 94.7 | Very high | 94.2 | Very high | 4 Ų | 4 | 18.3 Ų | 18.3 | 2% | 0.018 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 140.8 | 164.4 | -74.3 | -92.3 | 0 | 0 | 0 | 109.5 | L14 F200 L203 L208 A261 L263 | L14-F205 HydrophobicContact CB-CZ 4.29Å; L14-F205 HydrophobicContact CD1-CZ 4.21Å; F200-F205 HydrophobicContact CB-CB 4.42Å; F200-F205 HydrophobicContact CD1-CB 4.4Å; F200-F205 HydrophobicContact CD2-CB 3.33Å; F200-F205 HydrophobicContact CD2-CG 4.2Å; F200-F205 VanDerWaalsContact CE1-O 3.29Å; F200-F205 WeakPolarHBondContact CE1-O 3.39Å; F200-F205 HydrophobicContact CE2-CB 3.51Å; F200-F205 HydrophobicContact CG-CB 3.81Å; F200-F205 HydrophobicContact CZ-CB 4.12Å; F200-F205 VanDerWaalsContact CZ-O 3.26Å; F200-F205 WeakPolarHBondContact CZ-O 3.44Å; F200-F205 PolarHBondContact O-N 3.34Å; L203-F205 VanDerWaalsContact C-N 3.31Å; L203-F205 HydrophobicContact CB-CD2 3.83Å; L203-F205 HydrophobicContact CB-CE2 3.69Å; L203-F205 HydrophobicContact CD1-CE2 3.92Å; L203-F205 HydrophobicContact CG-CE2 4.43Å; L203-F205 PolarHBondContact O-N 3.17Å; F205-L208 HydrophobicContact CD1-CB 4.48Å; F205-L208 HydrophobicContact CE1-CD1 4.42Å; F205-A261 HydrophobicContact CD1-CB 3.91Å; F205-A261 HydrophobicContact CE1-CB 3.65Å; F205-L263 HydrophobicContact CD1-CD1 3.87Å; F205-L263 HydrophobicContact CD1-CG 3.89Å; F205-L263 HydrophobicContact CE1-CD1 3.55Å; F205-L263 HydrophobicContact CE1-CD2 4.41Å; F205-L263 HydrophobicContact CE1-CG 3.94Å; F205-L263 HydrophobicContact CE2-CD2 4.43Å; F205-L263 HydrophobicContact CG-CG 4.23Å; F205-L263 HydrophobicContact CZ-CD1 4.14Å; F205-L263 HydrophobicContact CZ-CD2 4.31Å; F205-L263 HydrophobicContact CZ-CG 4.34Å |
| 206 | T | 93.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 16.7 Ų | 16.7 | 3% | 0.031 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | -21.4 | 173.8 | 49.7 | 0 | 0 | 0 | 0 | 111.5 | S3 Y120 T121 K262 D264 E699 | S3-T206 WeakPolarHBondContact CB-OG1 3.49Å; S3-T206 PolarHBondContact OG-OG1 3.25Å; Y120-T206 WeakPolarHBondContact CA-O 3.44Å; T121-T206 PolarHBondContact N-O 3.08Å; T121-T206 PolarHBondContact OG1-O 3.43Å; T206-K262 PolarHBondContact N-O 2.74Å; T206-K262 WeakPolarHBondContact OG1-CB 3.37Å; T206-K262 PolarHBondContact OG1-O 2.74Å; T206-K262 VanDerWaalsContact OG1-O 3.14Å; T206-D264 HydrophobicContact CG2-CB 3.81Å; T206-E699 WeakPolarHBondContact CG2-OE2 3.46Å |
| 207 | Y | 94.2 | Very high | 93.5 | Very high | 56 Ų | 56 | 20.9 Ų | 20.9 | 22% | 0.22 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 136.8 | 175 | -177.5 | -95.3 | 0 | 0 | 0 | 109.3 | M119 E209 A260 A261 K262 | M119-Y207 CarbonylContact O-C 3.54Å; M119-Y207 WeakPolarHBondContact O-CA 3.35Å; Y207-E209 HydrophobicContact CE1-CB 3.65Å; Y207-E209 PolarHBondContact OH-OE2 3.03Å; Y207-E209 VanDerWaalsContact OH-OE2 3.07Å; Y207-A260 HydrophobicContact CE1-CB 4.48Å; Y207-A261 CarbonylContact O-C 3.53Å; Y207-A261 VanDerWaalsContact O-CA 3.25Å; Y207-A261 WeakPolarHBondContact O-CA 3.21Å; Y207-K262 PolarHBondContact N-O 2.88Å; Y207-K262 PolarHBondContact O-N 2.78Å |
| 208 | L | 96.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 111.8 | 175.9 | 177.1 | 65.1 | 0 | 0 | 0 | 109.3 | I15 C118 M119 L196 F200 F205 V259 A260 A261 | I15-L208 HydrophobicContact CD1-CD1 3.87Å; I15-L208 HydrophobicContact CD1-CD2 4.27Å; C118-L208 CarbonylContact C-O 3.58Å; C118-L208 VanDerWaalsContact CA-O 3.28Å; C118-L208 WeakPolarHBondContact CA-O 3.3Å; M119-L208 HydrophobicContact CB-CB 4.49Å; M119-L208 PolarHBondContact N-O 2.89Å; M119-L208 PolarHBondContact O-N 2.95Å; L196-L208 HydrophobicContact CD1-CD2 3.94Å; L196-L208 HydrophobicContact CD2-CD2 4.05Å; L196-L208 HydrophobicContact CG-CD2 4.01Å; F200-L208 HydrophobicContact CD2-CB 3.71Å; F200-L208 HydrophobicContact CD2-CD2 4.23Å; F200-L208 HydrophobicContact CE2-CB 3.86Å; F205-L208 HydrophobicContact CD1-CB 4.48Å; F205-L208 HydrophobicContact CE1-CD1 4.42Å; L208-V259 HydrophobicContact CD1-CG1 3.49Å; L208-V259 VanDerWaalsContact CD1-CG1 3.49Å; L208-A260 CarbonylContact C-O 3.58Å; L208-A260 WeakPolarHBondContact CA-O 3.31Å; L208-A261 HydrophobicContact CD1-CB 3.95Å |
| 209 | E | 95.5 | Very high | 90.8 | Very high | 38 Ų | 38 | 28.4 Ų | 28.4 | 18% | 0.178 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 130.5 | 177.5 | 177.6 | -172.4 | -159.7 | 0 | 0 | 109.2 | Y116 C118 Y207 V259 A260 | Y116-E209 HydrophobicContact CE2-CG 3.94Å; Y116-E209 WeakPolarHBondContact CE2-OE1 3.27Å; C118-E209 HydrophobicContact CB-CB 4.38Å; C118-E209 HydrophobicContact CB-CG 4.42Å; Y207-E209 HydrophobicContact CE1-CB 3.65Å; Y207-E209 PolarHBondContact OH-OE2 3.03Å; Y207-E209 VanDerWaalsContact OH-OE2 3.07Å; E209-V259 CarbonylContact O-C 3.58Å; E209-V259 WeakPolarHBondContact O-CA 3.29Å; E209-A260 HydrophobicContact CB-CB 4.35Å; E209-A260 PolarHBondContact N-O 2.8Å; E209-A260 PolarHBondContact O-N 2.83Å |
| 210 | I | 96.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 110.3 | 174.7 | -54.6 | 179.8 | 0 | 0 | 0 | 108.3 | L117 L196 L213 I256 D258 V259 | L117-I210 PolarHBondContact N-O 3.29Å; L117-I210 VanDerWaalsContact N-O 3.13Å; L117-I210 PolarHBondContact O-N 3.22Å; L196-I210 HydrophobicContact CD2-CD1 3.72Å; I210-L213 HydrophobicContact CG2-CB 3.77Å; I210-L213 HydrophobicContact CG2-CD1 3.88Å; I210-L213 HydrophobicContact CG2-CG 4.45Å; I210-I256 HydrophobicContact CD1-CD1 4.13Å; I210-I256 HydrophobicContact CD1-CG1 4.26Å; I210-I256 HydrophobicContact CD1-CG2 4.28Å; I210-I256 HydrophobicContact CG1-CG2 4.47Å; I210-I256 HydrophobicContact CG2-CG2 3.89Å; I210-D258 WeakPolarHBondContact CA-O 3.47Å; I210-D258 WeakPolarHBondContact CG2-O 3.17Å; I210-V259 HydrophobicContact CG1-CG2 4.36Å |
| 211 | N | 94.2 | Very high | 86.9 | Confident | 25 Ų | 25 | 36 Ų | 36 | 13% | 0.134 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 103 | -179.5 | -174.3 | 24.3 | 0 | 0 | 0 | 113.9 | Y116 G135 D258 | Y116-N211 HydrophobicContact CD2-CB 3.84Å; Y116-N211 HydrophobicContact CE2-CB 4.34Å; G135-N211 PolarHBondContact N-OD1 2.93Å; G135-N211 PolarHBondContact O-ND2 3.37Å; G135-N211 PolarHBondContact O-OD1 3.42Å; N211-D258 PolarHBondContact N-O 3.3Å; N211-D258 WeakPolarHBondContact O-CB 3.21Å |
| 212 | P | 94.5 | Very high | 84.6 | Confident | 17 Ų | 17 | 38.2 Ų | 38.2 | 11% | 0.11 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -89.5 | 147.6 | 7.1 | 32.5 | -32.6 | 0 | 0 | 0 | 113.6 | E114 V214 L257 | E114-P212 HydrophobicContact CB-CB 3.93Å; E114-P212 HydrophobicContact CG-CB 3.91Å; E114-P212 HydrophobicContact CG-CG 4.45Å; P212-V214 HydrophobicContact CB-CG2 4.12Å; P212-V214 HydrophobicContact CG-CG2 4.28Å; P212-L257 HydrophobicContact CG-CB 4.08Å; P212-L257 HydrophobicContact CG-CD1 4.14Å; P212-L257 PolarHBondContact O-N 3.2Å |
| 213 | L | 95.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 122.3 | 158.5 | -178.4 | 74.8 | 0 | 0 | 0 | 107.7 | Y115 L117 L189 F192 I210 I254 I256 | Y115-L213 WeakPolarHBondContact CB-O 3.41Å; Y115-L213 PolarHBondContact N-O 3.23Å; Y115-L213 PolarHBondContact O-N 2.85Å; L117-L213 HydrophobicContact CB-CD2 4.37Å; L117-L213 HydrophobicContact CD2-CD2 4.27Å; L189-L213 HydrophobicContact CD2-CD2 3.64Å; F192-L213 HydrophobicContact CD1-CD2 4.24Å; F192-L213 HydrophobicContact CE1-CD1 3.72Å; F192-L213 HydrophobicContact CE1-CD2 3.99Å; F192-L213 HydrophobicContact CZ-CD1 4.12Å; I210-L213 HydrophobicContact CG2-CB 3.77Å; I210-L213 HydrophobicContact CG2-CD1 3.88Å; I210-L213 HydrophobicContact CG2-CG 4.45Å; L213-I254 HydrophobicContact CD1-CG2 3.51Å; L213-I254 HydrophobicContact CG-CG2 4.08Å; L213-I256 HydrophobicContact CD1-CG1 4.06Å |
| 214 | V | 95.1 | Very high | 79.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 138.8 | -172.2 | 176 | 0 | 0 | 0 | 0 | 111.7 | H109 E113 E114 P212 C216 I254 H255 L257 | H109-V214 HydrophobicContact CB-CG1 3.58Å; E113-V214 HydrophobicContact CB-CG1 4.27Å; E113-V214 VanDerWaalsContact O-CA 3.32Å; E113-V214 WeakPolarHBondContact O-CA 3.11Å; E114-V214 HydrophobicContact CG-CG2 4.18Å; P212-V214 HydrophobicContact CB-CG2 4.12Å; P212-V214 HydrophobicContact CG-CG2 4.28Å; V214-C216 HydrophobicContact CG1-CB 4.13Å; V214-I254 CarbonylContact O-C 3.55Å; V214-I254 WeakPolarHBondContact O-CA 3.49Å; V214-H255 HydrophobicContact CB-CB 4.33Å; V214-H255 PolarHBondContact N-O 3.01Å; V214-H255 PolarHBondContact O-N 3.41Å; V214-L257 HydrophobicContact CB-CD1 4.34Å; V214-L257 HydrophobicContact CB-CG 4.44Å; V214-L257 HydrophobicContact CG2-CD1 3.52Å; V214-L257 HydrophobicContact CG2-CG 3.91Å |
| 215 | I | 94 | Very high | 77.5 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 100.5 | 170.5 | -51.7 | -174 | 0 | 0 | 0 | 110.3 | E113 Y115 R185 M188 L189 L252 Y253 I254 | E113-I215 PolarHBondContact O-N 3.3Å; E113-I215 VanDerWaalsContact O-N 3.09Å; Y115-I215 HydrophobicContact CD2-CD1 4.19Å; Y115-I215 HydrophobicContact CD2-CG1 3.96Å; Y115-I215 HydrophobicContact CE2-CB 3.98Å; Y115-I215 HydrophobicContact CE2-CD1 3.87Å; Y115-I215 HydrophobicContact CE2-CG1 3.72Å; R185-I215 HydrophobicContact CG-CG2 4.17Å; R185-I215 PolarHBondContact NH2-O 3.13Å; M188-I215 HydrophobicContact CE-CG2 4.04Å; L189-I215 HydrophobicContact CD1-CD1 4.18Å; L189-I215 HydrophobicContact CD2-CD1 3.67Å; L189-I215 HydrophobicContact CG-CD1 3.55Å; I215-L252 HydrophobicContact CG2-CB 4.14Å; I215-L252 HydrophobicContact CG2-CD1 4.46Å; I215-Y253 WeakPolarHBondContact CA-O 3.25Å; I215-I254 HydrophobicContact CD1-CD1 4.39Å; I215-I254 HydrophobicContact CD1-CG1 4.11Å; I215-I254 HydrophobicContact CG1-CG1 4.06Å |
| 216 | C | 89.8 | Confident | 74.6 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.02 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | -178.2 | -178.4 | 66.9 | 0 | 0 | 0 | 0 | 110.8 | V107 H109 V214 L252 Y253 | V107-C216 VanDerWaalsContact CG1-SG 3.51Å; H109-C216 HydrophobicContact CB-CB 4.27Å; V214-C216 HydrophobicContact CG1-CB 4.13Å; C216-L252 WeakPolarHBondContact O-CA 3.49Å; C216-Y253 PolarHBondContact N-O 3.46Å; C216-Y253 PolarHBondContact O-N 3.13Å |
| 217 | K | 83.3 | Confident | 71.8 | Confident | 89 Ų | 89 | 63 Ų | 63 | 39% | 0.387 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 145 | 173.8 | -62.9 | 176.4 | -171.5 | 177.3 | 0 | 110.3 | N219 E250 L252 | K217-N219 PolarHBondContact O-N 3.34Å; K217-E250 WeakPolarHBondContact CE-OE1 3.45Å; K217-E250 WeakPolarHBondContact CE-OE2 3.42Å; K217-E250 IonicContact NZ-OE1 2.65Å; K217-E250 PolarHBondContact NZ-OE1 3.2Å; K217-E250 IonicContact NZ-OE2 2.8Å; K217-E250 PolarHBondContact NZ-OE2 3.05Å; K217-E250 VanDerWaalsContact NZ-OE2 3.1Å; K217-L252 HydrophobicContact CG-CD2 4.25Å |
| 218 | W | 70.6 | Confident | 68.9 | Low | 74 Ų | 74 | 62.8 Ų | 62.8 | 28% | 0.28 | 32% | 0.32 | S | S | . | . | trans | -70.6 | 111.8 | 170.9 | -179.6 | -86.9 | 0 | 0 | 0 | 110.3 | A25 M220 Y253 H255 | A25-W218 HydrophobicContact CB-CE3 3.82Å; A25-W218 HydrophobicContact CB-CH2 4.45Å; A25-W218 HydrophobicContact CB-CZ3 3.33Å; W218-M220 HydrophobicContact CH2-CG 4.39Å; W218-M220 HydrophobicContact CH2-SD 4.16Å; W218-M220 HydrophobicContact CZ2-CB 3.78Å; W218-M220 HydrophobicContact CZ2-CG 3.79Å; W218-M220 HydrophobicContact CZ2-SD 3.91Å; W218-M220 PolarHBondContact NE1-O 3.46Å; W218-M220 VanDerWaalsContact NE1-O 3.13Å; W218-Y253 HydrophobicContact CB-CD2 3.32Å; W218-Y253 HydrophobicContact CB-CE2 3.46Å; W218-Y253 VanDerWaalsContact CB-CE2 3.46Å; W218-Y253 HydrophobicContact CB-CG 3.98Å; W218-Y253 HydrophobicContact CE3-CD1 4.11Å; W218-Y253 HydrophobicContact CE3-CG 4.09Å; W218-Y253 HydrophobicContact CG-CD2 4.31Å; W218-Y253 HydrophobicContact CG-CE2 4.27Å; W218-H255 AromaticContact CE3-CE1 3.76Å | ||
| 219 | N | 59.6 | Low | 66.1 | Low | 114 Ų | 114 | 68 Ų | 68 | 61% | 0.61 | 35% | 0.348 | S | S | * | . | trans | -104.2 | 9.5 | -176.8 | -100.1 | -15.2 | 0 | 0 | 0 | 114 | K217 | K217-N219 PolarHBondContact O-N 3.34Š| ||
| 220 | M | 56.9 | Low | 63.2 | Low | 24 Ų | 24 | 70.7 Ų | 70.7 | 12% | 0.118 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -83.6 | 130 | 176.3 | -49.2 | -158.6 | 97.3 | 0 | 0 | 110.8 | P105 W218 A222 I225 | P105-M220 HydrophobicContact CB-CE 3.29Å; P105-M220 HydrophobicContact CG-CE 3.36Å; P105-M220 HydrophobicContact CG-SD 4.33Å; W218-M220 HydrophobicContact CH2-CG 4.39Å; W218-M220 HydrophobicContact CH2-SD 4.16Å; W218-M220 HydrophobicContact CZ2-CB 3.78Å; W218-M220 HydrophobicContact CZ2-CG 3.79Å; W218-M220 HydrophobicContact CZ2-SD 3.91Å; W218-M220 PolarHBondContact NE1-O 3.46Å; W218-M220 VanDerWaalsContact NE1-O 3.13Å; M220-A222 VanDerWaalsContact C-N 3.33Å; M220-A222 PolarHBondContact O-N 3.31Å; M220-I225 HydrophobicContact SD-CD1 4.46Å |
| 221 | N | 49.6 | Very low | 60.3 | Low | 143 Ų | 143 | 74.6 Ų | 74.6 | 77% | 0.765 | 41% | 0.413 | S | S | * | . | trans | -60.6 | 93.5 | 169.6 | -86.1 | -36 | 0 | 0 | 0 | 109.6 | K223 | N221-K223 PolarHBondContact O-N 2.91Š| ||
| 222 | A | 44.3 | Very low | 57.2 | Low | 62 Ų | 62 | 78.5 Ų | 78.5 | 51% | 0.512 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -59.6 | -10.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | M220 K224 | M220-A222 VanDerWaalsContact C-N 3.33Å; M220-A222 PolarHBondContact O-N 3.31Å; A222-K224 VanDerWaalsContact C-N 3.3Å; A222-K224 PolarHBondContact O-N 2.71Å |
| 223 | K | 42 | Very low | 54.5 | Low | 206 Ų | 206 | 83.5 Ų | 83.5 | 90% | 0.896 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -76.3 | 0.7 | -175.1 | -79.7 | -173.6 | 174.6 | 178.9 | 0 | 116.1 | N221 | N221-K223 PolarHBondContact O-N 2.91Š|
| 224 | K | 42.3 | Very low | 51.4 | Low | 139 Ų | 139 | 91.9 Ų | 91.9 | 60% | 0.604 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -140.3 | 18.2 | -173.3 | -71.3 | -167.1 | 174.3 | -169.9 | 0 | 116.8 | A222 | A222-K224 VanDerWaalsContact C-N 3.3Å; A222-K224 PolarHBondContact O-N 2.71Å |
| 225 | I | 44.5 | Very low | 48.6 | Very low | 58 Ų | 58 | 96.6 Ų | 96.6 | 30% | 0.297 | 52% | 0.523 | S | S | . | . | trans | -91.2 | -2.3 | -177 | -61.3 | 176.2 | 0 | 0 | 0 | 112.9 | M220 D227 | M220-I225 HydrophobicContact SD-CD1 4.46Å; I225-D227 PolarHBondContact O-N 3.5Å | ||
| 226 | N | 34.6 | Very low | 45.7 | Very low | 117 Ų | 117 | 102.7 Ų | 102.7 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | trans | -88 | 97.3 | 174.6 | -63.8 | -13 | 0 | 0 | 0 | 109 | ||||
| 227 | D | 34.2 | Very low | 42.9 | Very low | 154 Ų | 154 | 108.9 Ų | 108.9 | 82% | 0.824 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 147.6 | 58.4 | 150.2 | -73.5 | -16.1 | 0 | 0 | 0 | 113 | I225 | I225-D227 PolarHBondContact O-N 3.5Š|
| 228 | C | 34.1 | Very low | 40.8 | Very low | 51 Ų | 51 | 110.9 Ų | 110.9 | 35% | 0.345 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -162.6 | 121 | 155.5 | 41.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 229 | N | 37.1 | Very low | 39.2 | Very low | 113 Ų | 113 | 113.3 Ų | 113.3 | 60% | 0.604 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 79.1 | 72.7 | 177.8 | -50.6 | -27.6 | 0 | 0 | 0 | 116.3 | S231 | N229-S231 PolarHBondContact O-N 2.89Š|
| 230 | G | 35.3 | Very low | 38 | Very low | 94 Ų | 94 | 116.7 Ų | 116.7 | 97% | 0.969 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 49.6 | 1.5 | 132.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||
| 231 | S | 35 | Very low | 37.1 | Very low | 83 Ų | 83 | 123.8 Ų | 123.8 | 58% | 0.58 | 68% | 0.675 | S | S | * | * | trans | -127.2 | 106.1 | -172.7 | -58.5 | 0 | 0 | 0 | 0 | 106.6 | N229 Y233 | N229-S231 PolarHBondContact O-N 2.89Å; S231-Y233 VanDerWaalsContact O-CD2 3.25Å; S231-Y233 WeakPolarHBondContact O-CD2 3.27Å; S231-Y233 PolarHBondContact O-N 3.33Å | ||
| 232 | S | 28.5 | Very low | 36.2 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 75% | 0.748 | 68% | 0.682 | S | S | * | * | trans | -61.3 | 101.1 | 177.9 | 49.7 | 0 | 0 | 0 | 0 | 110.1 | H234 | S232-H234 PolarHBondContact O-N 2.81Š| ||
| 233 | Y | 37.6 | Very low | 35.7 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 48% | 0.482 | 70% | 0.698 | S | S | . | * | trans | -71 | 107.8 | 166.5 | -65.7 | -82.6 | 0 | 0 | 0 | 107.7 | S231 I235 | S231-Y233 VanDerWaalsContact O-CD2 3.25Å; S231-Y233 WeakPolarHBondContact O-CD2 3.27Å; S231-Y233 PolarHBondContact O-N 3.33Å; Y233-I235 PolarHBondContact O-N 3.38Å | ||
| 234 | H | 31.5 | Very low | 35.3 | Very low | 175 Ų | 175 | 127.1 Ų | 127.1 | 81% | 0.81 | 69% | 0.692 | S | S | * | * | trans | -66.3 | 97.2 | 170.8 | -84.9 | -69.4 | 0 | 0 | 0 | 109.2 | S232 I236 | S232-H234 PolarHBondContact O-N 2.81Å; H234-I236 PolarHBondContact O-N 2.89Å | ||
| 235 | I | 35.7 | Very low | 34.9 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 51% | 0.508 | 70% | 0.702 | S | S | . | * | trans | -76.6 | 110.5 | 160.7 | -58 | 175.5 | 0 | 0 | 0 | 105.7 | Y233 N237 | Y233-I235 PolarHBondContact O-N 3.38Å; I235-N237 PolarHBondContact O-N 3.3Å | ||
| 236 | I | 33 | Very low | 34.2 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 66% | 0.662 | 73% | 0.727 | S | S | * | * | trans | -69.6 | 122.6 | 170.2 | -61.3 | 173.2 | 0 | 0 | 0 | 106.7 | H234 D238 | H234-I236 PolarHBondContact O-N 2.89Å; I236-D238 PolarHBondContact O-N 3.49Å | ||
| 237 | N | 30.6 | Very low | 34.3 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | -71.8 | 122.5 | 170.4 | -77.6 | -30.6 | 0 | 0 | 0 | 109 | I235 T239 | I235-N237 PolarHBondContact O-N 3.3Å; N237-T239 PolarHBondContact O-N 2.82Å | ||
| 238 | D | 39.7 | Very low | 34.4 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -68.4 | 29.7 | -175.1 | -78.8 | -39.8 | 0 | 0 | 0 | 115.8 | I236 | I236-D238 PolarHBondContact O-N 3.49Š|
| 239 | T | 37.4 | Very low | 34.8 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -100.1 | 6.6 | -172.6 | 37.7 | 0 | 0 | 0 | 0 | 116.8 | N237 | N237-T239 PolarHBondContact O-N 2.82Š| ||
| 240 | E | 34.9 | Very low | 35.7 | Very low | 184 Ų | 184 | 136.1 Ų | 136.1 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -130.1 | 25 | -173.1 | -74.6 | -168.6 | 161.5 | 0 | 0 | 117.4 | ||
| 241 | L | 37.3 | Very low | 37.6 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 91% | 0.906 | 72% | 0.716 | S | S | * | * | trans | -128.8 | 82.6 | 169.6 | -78.9 | 159 | 0 | 0 | 0 | 111 | ||||
| 242 | Q | 30.1 | Very low | 40.2 | Very low | 194 Ų | 194 | 133.6 Ų | 133.6 | 91% | 0.907 | 69% | 0.694 | S | S | * | * | trans | -91.2 | 96.1 | 157.4 | -76.6 | -175.8 | -9.8 | 0 | 0 | 107.8 | ||||
| 243 | D | 34.6 | Very low | 43.2 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 85% | 0.845 | 67% | 0.667 | S | S | * | * | trans | -144.5 | 143.7 | 151.3 | -104.1 | -31.6 | 0 | 0 | 0 | 110.5 | D245 | D243-D245 PolarHBondContact O-N 3.37Š| ||
| 244 | V | 32.6 | Very low | 45.9 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 78% | 0.782 | 64% | 0.644 | S | S | * | * | trans | -73.6 | 111.5 | -155 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 245 | D | 34.5 | Very low | 48.9 | Very low | 152 Ų | 152 | 116.8 Ų | 116.8 | 81% | 0.813 | 61% | 0.606 | S | S | * | * | trans | -156.5 | 124 | 143.8 | -120.3 | -17.5 | 0 | 0 | 0 | 110.6 | D243 D247 | D243-D245 PolarHBondContact O-N 3.37Å; D245-D247 PolarHBondContact O-N 3.49Å | ||
| 246 | N | 29.9 | Very low | 51.8 | Low | 153 Ų | 153 | 112 Ų | 112 | 82% | 0.818 | 58% | 0.582 | S | S | * | * | trans | -73.3 | 84.6 | -173.6 | -82.6 | -38.4 | 0 | 0 | 0 | 111.7 | ||||
| 247 | D | 37.1 | Very low | 54.7 | Low | 124 Ų | 124 | 107.3 Ų | 107.3 | 66% | 0.663 | 56% | 0.558 | S | S | * | * | trans | -142.8 | 55.2 | 161.4 | -154.9 | 27.3 | 0 | 0 | 0 | 109.7 | K184 D245 N249 | K184-D247 IonicContact NZ-OD2 3.65Å; D245-D247 PolarHBondContact O-N 3.49Å; D247-N249 PolarHBondContact O-N 3Å | ||
| 248 | I | 35.7 | Very low | 57.7 | Low | 136 Ų | 136 | 102.8 Ų | 102.8 | 70% | 0.697 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 99.2 | -179.8 | -59.8 | 172.4 | 0 | 0 | 0 | 108.5 | ||
| 249 | N | 42.1 | Very low | 60.4 | Low | 146 Ų | 146 | 96.7 Ų | 96.7 | 78% | 0.781 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 173.5 | 8.9 | 131.8 | -93.1 | -23.8 | 0 | 0 | 0 | 117.9 | D247 | D247-N249 PolarHBondContact O-N 3Š|
| 250 | E | 57 | Low | 63 | Low | 110 Ų | 110 | 92 Ų | 92 | 51% | 0.514 | 48% | 0.476 | S | S | . | . | trans | -137.9 | 98.5 | 178.6 | -60.7 | -173.2 | 170.1 | 0 | 0 | 113.3 | K217 | K217-E250 WeakPolarHBondContact CE-OE1 3.45Å; K217-E250 WeakPolarHBondContact CE-OE2 3.42Å; K217-E250 IonicContact NZ-OE1 2.65Å; K217-E250 PolarHBondContact NZ-OE1 3.2Å; K217-E250 IonicContact NZ-OE2 2.8Å; K217-E250 PolarHBondContact NZ-OE2 3.05Å; K217-E250 VanDerWaalsContact NZ-OE2 3.1Å | ||
| 251 | Q | 75.3 | Confident | 65.9 | Low | 104 Ų | 104 | 83.6 Ų | 83.6 | 49% | 0.486 | 44% | 0.437 | S | S | . | . | trans | -82.1 | 116.3 | 175.9 | -155 | 171.3 | 8.9 | 0 | 0 | 109.7 | Y253 | Q251-Y253 HydrophobicContact CB-CE2 4.08Å; Q251-Y253 HydrophobicContact CG-CE2 3.81Å | ||
| 252 | L | 88.9 | Confident | 68.5 | Low | 21 Ų | 21 | 78.7 Ų | 78.7 | 11% | 0.11 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 144.6 | 179.8 | -64.9 | 173.4 | 0 | 0 | 0 | 110.7 | R185 M188 I215 C216 K217 | R185-L252 HydrophobicContact CG-CD1 4.28Å; M188-L252 HydrophobicContact CE-CB 3.97Å; M188-L252 WeakPolarHBondContact CE-O 3.16Å; M188-L252 HydrophobicContact SD-CB 4.06Å; I215-L252 HydrophobicContact CG2-CB 4.14Å; I215-L252 HydrophobicContact CG2-CD1 4.46Å; C216-L252 WeakPolarHBondContact O-CA 3.49Å; K217-L252 HydrophobicContact CG-CD2 4.25Å |
| 253 | Y | 92.1 | Very high | 71.6 | Confident | 47 Ų | 47 | 69.4 Ų | 69.4 | 18% | 0.184 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 151 | 177.8 | -69.2 | -102.5 | 0 | 0 | 0 | 110.6 | K23 I215 C216 W218 Q251 | K23-Y253 WeakPolarHBondContact O-CA 3.4Å; I215-Y253 WeakPolarHBondContact CA-O 3.25Å; C216-Y253 PolarHBondContact N-O 3.46Å; C216-Y253 PolarHBondContact O-N 3.13Å; W218-Y253 HydrophobicContact CB-CD2 3.32Å; W218-Y253 HydrophobicContact CB-CE2 3.46Å; W218-Y253 VanDerWaalsContact CB-CE2 3.46Å; W218-Y253 HydrophobicContact CB-CG 3.98Å; W218-Y253 HydrophobicContact CE3-CD1 4.11Å; W218-Y253 HydrophobicContact CE3-CG 4.09Å; W218-Y253 HydrophobicContact CG-CD2 4.31Å; W218-Y253 HydrophobicContact CG-CE2 4.27Å; Q251-Y253 HydrophobicContact CB-CE2 4.08Å; Q251-Y253 HydrophobicContact CG-CE2 3.81Å |
| 254 | I | 94.6 | Very high | 74.3 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 126.8 | 173.9 | -58.5 | -174.6 | 0 | 0 | 0 | 108.2 | Y21 K23 L24 A25 M188 F192 L213 V214 I215 | Y21-I254 HydrophobicContact CD1-CD1 4.33Å; Y21-I254 HydrophobicContact CE1-CD1 3.68Å; Y21-I254 HydrophobicContact CE1-CG1 4.34Å; K23-I254 PolarHBondContact O-N 2.96Å; L24-I254 HydrophobicContact CD1-CB 4.36Å; L24-I254 HydrophobicContact CD1-CG2 4.2Å; L24-I254 WeakPolarHBondContact CD1-O 3.28Å; A25-I254 WeakPolarHBondContact CB-O 3.43Å; A25-I254 PolarHBondContact N-O 3.43Å; M188-I254 HydrophobicContact CE-CG1 4.13Å; F192-I254 HydrophobicContact CB-CD1 3.35Å; F192-I254 HydrophobicContact CD1-CD1 4.04Å; F192-I254 HydrophobicContact CD1-CG2 4.31Å; F192-I254 HydrophobicContact CD2-CD1 4.07Å; F192-I254 HydrophobicContact CD2-CG2 4.47Å; F192-I254 HydrophobicContact CE1-CG2 4.26Å; F192-I254 HydrophobicContact CE2-CG2 4.42Å; F192-I254 HydrophobicContact CG-CD1 3.55Å; F192-I254 HydrophobicContact CG-CG2 4.42Å; F192-I254 HydrophobicContact CZ-CG2 4.31Å; L213-I254 HydrophobicContact CD1-CG2 3.51Å; L213-I254 HydrophobicContact CG-CG2 4.08Å; V214-I254 CarbonylContact O-C 3.55Å; V214-I254 WeakPolarHBondContact O-CA 3.49Å; I215-I254 HydrophobicContact CD1-CD1 4.39Å; I215-I254 HydrophobicContact CD1-CG1 4.11Å; I215-I254 HydrophobicContact CG1-CG1 4.06Å |
| 255 | H | 94.5 | Very high | 77.1 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.019 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129 | 176.1 | -62.6 | -99 | 0 | 0 | 0 | 110.2 | A25 N27 V214 W218 L257 | A25-H255 HydrophobicContact CB-CB 4.39Å; A25-H255 WeakPolarHBondContact CB-CE1 3.39Å; A25-H255 WeakPolarHBondContact CB-ND1 3.45Å; N27-H255 PolarHBondContact OD1-ND1 3.21Å; V214-H255 HydrophobicContact CB-CB 4.33Å; V214-H255 PolarHBondContact N-O 3.01Å; V214-H255 PolarHBondContact O-N 3.41Å; W218-H255 AromaticContact CE3-CE1 3.76Å; H255-L257 HydrophobicContact CB-CD2 4Å |
| 256 | I | 95.6 | Very high | 79.6 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 100.6 | 174.1 | -61.9 | 176.9 | 0 | 0 | 0 | 107.6 | K12 I15 Y16 L24 F192 I210 L213 V259 | K12-I256 WeakPolarHBondContact CE-O 3.31Å; K12-I256 HydrophobicContact CG-CG2 4.37Å; K12-I256 PolarHBondContact NZ-O 3.05Å; I15-I256 HydrophobicContact CG2-CD1 3.93Å; Y16-I256 HydrophobicContact CE1-CD1 4.12Å; L24-I256 HydrophobicContact CD1-CD1 3.88Å; L24-I256 HydrophobicContact CD1-CG1 3.9Å; L24-I256 HydrophobicContact CD2-CD1 4.42Å; F192-I256 HydrophobicContact CE2-CD1 4.49Å; F192-I256 HydrophobicContact CZ-CD1 4.02Å; F192-I256 HydrophobicContact CZ-CG1 4.29Å; I210-I256 HydrophobicContact CD1-CD1 4.13Å; I210-I256 HydrophobicContact CD1-CG1 4.26Å; I210-I256 HydrophobicContact CD1-CG2 4.28Å; I210-I256 HydrophobicContact CG1-CG2 4.47Å; I210-I256 HydrophobicContact CG2-CG2 3.89Å; L213-I256 HydrophobicContact CD1-CG1 4.06Å; I256-V259 HydrophobicContact CG2-CG2 3.18Å |
| 257 | L | 94.3 | Very high | 82.6 | Confident | 29 Ų | 29 | 43.2 Ų | 43.2 | 15% | 0.152 | 22% | 0.22 | C | C | . | . | trans | -89.7 | -29.6 | -175.7 | -59.7 | -165.8 | 0 | 0 | 0 | 113.4 | K12 K54 V107 H109 P212 V214 H255 | K12-L257 VanDerWaalsContact NZ-C 3.34Å; K12-L257 PolarHBondContact NZ-O 3.41Å; K54-L257 PolarHBondContact NZ-O 3Å; V107-L257 HydrophobicContact CB-CD2 4.09Å; V107-L257 HydrophobicContact CG2-CD2 3.79Å; H109-L257 VanDerWaalsContact CE1-CD1 3.43Å; H109-L257 WeakPolarHBondContact CE1-CD1 3.47Å; P212-L257 HydrophobicContact CG-CB 4.08Å; P212-L257 HydrophobicContact CG-CD1 4.14Å; P212-L257 PolarHBondContact O-N 3.2Å; V214-L257 HydrophobicContact CB-CD1 4.34Å; V214-L257 HydrophobicContact CB-CG 4.44Å; V214-L257 HydrophobicContact CG2-CD1 3.52Å; V214-L257 HydrophobicContact CG2-CG 3.91Å; H255-L257 HydrophobicContact CB-CD2 4Å | ||
| 258 | D | 94.5 | Very high | 85.1 | Confident | 38 Ų | 38 | 40.4 Ų | 40.4 | 20% | 0.203 | 20% | 0.203 | C | C | . | . | trans | -137.5 | 141.8 | 175.5 | -151.6 | 63.1 | 0 | 0 | 0 | 110.7 | E8 K54 R62 I210 N211 | E8-D258 WeakPolarHBondContact OE1-CA 3.14Å; K54-D258 IonicContact NZ-OD1 3.48Å; K54-D258 PolarHBondContact NZ-OD1 3.38Å; R62-D258 IonicContact CZ-OD1 2.67Å; R62-D258 VanDerWaalsContact NH2-CG 3.29Å; R62-D258 IonicContact NH2-OD1 3.81Å; R62-D258 PolarHBondContact NH2-OD1 3.17Å; R62-D258 IonicContact NH2-OD2 3.86Å; R62-D258 PolarHBondContact NH2-OD2 3.26Å; I210-D258 WeakPolarHBondContact CA-O 3.47Å; I210-D258 WeakPolarHBondContact CG2-O 3.17Å; N211-D258 PolarHBondContact N-O 3.3Å; N211-D258 WeakPolarHBondContact O-CB 3.21Å | ||
| 259 | V | 95 | Very high | 87.5 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | trans | -135.5 | 131.7 | 171.5 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | E8 A11 K12 I15 L208 E209 I210 I256 A261 | E8-V259 HydrophobicContact CG-CB 4.18Å; E8-V259 WeakPolarHBondContact CG-O 3.44Å; E8-V259 PolarHBondContact OE1-N 3.4Å; A11-V259 HydrophobicContact CB-CB 4.3Å; A11-V259 HydrophobicContact CB-CG1 3.61Å; K12-V259 HydrophobicContact CD-CG2 4.37Å; K12-V259 HydrophobicContact CG-CB 4.22Å; K12-V259 HydrophobicContact CG-CG2 3.57Å; I15-V259 HydrophobicContact CD1-CG1 4.42Å; L208-V259 HydrophobicContact CD1-CG1 3.49Å; L208-V259 VanDerWaalsContact CD1-CG1 3.49Å; E209-V259 CarbonylContact O-C 3.58Å; E209-V259 WeakPolarHBondContact O-CA 3.29Å; I210-V259 HydrophobicContact CG1-CG2 4.36Å; I256-V259 HydrophobicContact CG2-CG2 3.18Å; V259-A261 HydrophobicContact CG1-CB 4.23Å | ||
| 260 | A | 93.5 | Very high | 89.8 | Confident | 28 Ų | 28 | 31.6 Ų | 31.6 | 23% | 0.231 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 124 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109 | Y207 L208 E209 | Y207-A260 HydrophobicContact CE1-CB 4.48Å; L208-A260 CarbonylContact C-O 3.58Å; L208-A260 WeakPolarHBondContact CA-O 3.31Å; E209-A260 HydrophobicContact CB-CB 4.35Å; E209-A260 PolarHBondContact N-O 2.8Å; E209-A260 PolarHBondContact O-N 2.83Å |
| 261 | A | 94.4 | Very high | 91.4 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 6% | 0.058 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 152.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A5 V6 A11 F205 Y207 L208 V259 | A5-A261 WeakPolarHBondContact CA-O 3.48Å; V6-A261 HydrophobicContact CG2-CB 3.98Å; V6-A261 PolarHBondContact N-O 2.98Å; A11-A261 HydrophobicContact CB-CB 3.73Å; F205-A261 HydrophobicContact CD1-CB 3.91Å; F205-A261 HydrophobicContact CE1-CB 3.65Å; Y207-A261 CarbonylContact O-C 3.53Å; Y207-A261 VanDerWaalsContact O-CA 3.25Å; Y207-A261 WeakPolarHBondContact O-CA 3.21Å; L208-A261 HydrophobicContact CD1-CB 3.95Å; V259-A261 HydrophobicContact CG1-CB 4.23Å |
| 262 | K | 93.5 | Very high | 91.8 | Very high | 69 Ų | 69 | 25.7 Ų | 25.7 | 30% | 0.3 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 137 | 166 | -57.9 | -176.2 | 178.6 | -177.7 | 0 | 110 | S3 K4 A5 T206 Y207 | S3-K262 WeakPolarHBondContact OG-CB 3.47Å; S3-K262 WeakPolarHBondContact OG-CD 3.5Å; K4-K262 CarbonylContact O-C 3.53Å; K4-K262 WeakPolarHBondContact O-CA 3.4Å; K4-K262 WeakPolarHBondContact O-CB 3.49Å; A5-K262 HydrophobicContact CB-CG 4.3Å; T206-K262 PolarHBondContact N-O 2.74Å; T206-K262 WeakPolarHBondContact OG1-CB 3.37Å; T206-K262 PolarHBondContact OG1-O 2.74Å; T206-K262 VanDerWaalsContact OG1-O 3.14Å; Y207-K262 PolarHBondContact N-O 2.88Å; Y207-K262 PolarHBondContact O-N 2.78Å |
| 263 | L | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 150.6 | 172.8 | -70.1 | 88.9 | 0 | 0 | 0 | 110 | S3 K4 V6 L14 F205 Q265 W277 L284 F286 | S3-L263 CarbonylContact C-O 3.48Å; S3-L263 WeakPolarHBondContact CA-O 3.5Å; K4-L263 PolarHBondContact N-O 3.33Å; K4-L263 PolarHBondContact O-N 2.84Å; V6-L263 HydrophobicContact CB-CD1 4.22Å; V6-L263 HydrophobicContact CG1-CD1 3.66Å; V6-L263 HydrophobicContact CG2-CD1 3.5Å; L14-L263 HydrophobicContact CD1-CD1 4.38Å; L14-L263 HydrophobicContact CD1-CD2 3.96Å; F205-L263 HydrophobicContact CD1-CD1 3.87Å; F205-L263 HydrophobicContact CD1-CG 3.89Å; F205-L263 HydrophobicContact CE1-CD1 3.55Å; F205-L263 HydrophobicContact CE1-CD2 4.41Å; F205-L263 HydrophobicContact CE1-CG 3.94Å; F205-L263 HydrophobicContact CE2-CD2 4.43Å; F205-L263 HydrophobicContact CG-CG 4.23Å; F205-L263 HydrophobicContact CZ-CD1 4.14Å; F205-L263 HydrophobicContact CZ-CD2 4.31Å; F205-L263 HydrophobicContact CZ-CG 4.34Å; L263-Q265 PolarHBondContact O-N 3.27Å; L263-W277 HydrophobicContact CB-CH2 4.19Å; L263-W277 HydrophobicContact CB-CZ2 4.14Å; L263-W277 HydrophobicContact CD2-CD2 4.35Å; L263-W277 HydrophobicContact CD2-CH2 4.3Å; L263-W277 HydrophobicContact CD2-CZ2 3.59Å; L263-W277 HydrophobicContact CG-CZ2 4.47Å; L263-L284 HydrophobicContact CD1-CD2 4.38Å; L263-L284 HydrophobicContact CD2-CD2 3.98Å; L263-F286 HydrophobicContact CB-CE1 4.23Å |
| 264 | D | 92.2 | Very high | 91.2 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 100.4 | 174.8 | 176.3 | 12.5 | 0 | 0 | 0 | 111.3 | Y204 T206 C266 A267 W277 P698 E699 | Y204-D264 PolarHBondContact O-N 3.07Å; T206-D264 HydrophobicContact CG2-CB 3.81Å; D264-C266 PolarHBondContact O-N 3.24Å; D264-C266 VanDerWaalsContact OD1-CB 3.28Å; D264-C266 WeakPolarHBondContact OD1-CB 3.18Å; D264-C266 PolarHBondContact OD1-N 3.24Å; D264-C266 VanDerWaalsContact OD1-N 3.09Å; D264-A267 WeakPolarHBondContact O-CB 3.3Å; D264-A267 PolarHBondContact O-N 3.13Å; D264-W277 VanDerWaalsContact O-CH2 3.31Å; D264-W277 WeakPolarHBondContact O-CH2 3.47Å; D264-P698 VanDerWaalsContact OD2-C 3.29Å; D264-P698 WeakPolarHBondContact OD2-CA 3.45Å; D264-P698 WeakPolarHBondContact OD2-CB 3.27Å; D264-E699 PolarHBondContact OD2-N 3.16Å |
| 265 | Q | 90 | Very high | 90.7 | Very high | 33 Ų | 33 | 35.4 Ų | 35.4 | 15% | 0.154 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -56.7 | -26.4 | -177.4 | -171.9 | -179.3 | 19.8 | 0 | 0 | 113.2 | S2 K4 L263 A267 E268 F286 | S2-Q265 WeakPolarHBondContact O-CB 3.45Å; S2-Q265 PolarHBondContact O-N 2.78Å; S2-Q265 VanDerWaalsContact O-N 3.13Å; K4-Q265 HydrophobicContact CD-CB 4.44Å; K4-Q265 VanDerWaalsContact CD-OE1 3.26Å; L263-Q265 PolarHBondContact O-N 3.27Å; Q265-A267 PolarHBondContact O-N 2.84Å; Q265-E268 PolarHBondContact NE2-OE2 2.76Å; Q265-E268 VanDerWaalsContact O-CB 3.25Å; Q265-E268 WeakPolarHBondContact O-CB 3.38Å; Q265-E268 PolarHBondContact O-N 3.27Å; Q265-F286 HydrophobicContact CB-CE2 4.29Å; Q265-F286 HydrophobicContact CB-CZ 4.15Å; Q265-F286 HydrophobicContact CG-CD2 4.17Å; Q265-F286 HydrophobicContact CG-CE2 3.76Å; Q265-F286 HydrophobicContact CG-CZ 4.12Å |
| 266 | C | 88.3 | Confident | 90.4 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -57.5 | -25 | 176.7 | -66.3 | 0 | 0 | 0 | 0 | 112.4 | M1 D264 E268 H269 G696 P698 | M1-C266 WeakPolarHBondContact CB-SG 3.44Å; D264-C266 PolarHBondContact O-N 3.24Å; D264-C266 VanDerWaalsContact OD1-CB 3.28Å; D264-C266 WeakPolarHBondContact OD1-CB 3.18Å; D264-C266 PolarHBondContact OD1-N 3.24Å; D264-C266 VanDerWaalsContact OD1-N 3.09Å; C266-E268 VanDerWaalsContact C-N 3.34Å; C266-H269 PolarHBondContact O-CE1 2.84Å; C266-H269 VanDerWaalsContact O-CE1 3.28Å; C266-H269 PolarHBondContact O-ND1 3.08Å; C266-G696 WeakPolarHBondContact CB-O 3.3Å; C266-P698 HydrophobicContact CB-CB 4.5Å; C266-P698 HydrophobicContact CB-CG 4.26Å |
| 267 | A | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -80.3 | -6.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y204 D264 Q265 H269 L270 F271 W277 P698 | Y204-A267 HydrophobicContact CD1-CB 3.66Å; Y204-A267 HydrophobicContact CD2-CB 4.11Å; Y204-A267 HydrophobicContact CE1-CB 4.22Å; Y204-A267 HydrophobicContact CG-CB 3.6Å; D264-A267 WeakPolarHBondContact O-CB 3.3Å; D264-A267 PolarHBondContact O-N 3.13Å; Q265-A267 PolarHBondContact O-N 2.84Å; A267-H269 PolarHBondContact O-N 2.94Å; A267-H269 VanDerWaalsContact O-N 3.07Å; A267-L270 HydrophobicContact CB-CD1 4.24Å; A267-L270 VanDerWaalsContact O-CB 3.28Å; A267-L270 WeakPolarHBondContact O-CB 3.38Å; A267-L270 PolarHBondContact O-N 3.07Å; A267-F271 HydrophobicContact CB-CE2 4.03Å; A267-F271 VanDerWaalsContact O-CD2 3.26Å; A267-F271 WeakPolarHBondContact O-CD2 3.47Å; A267-W277 HydrophobicContact CB-CH2 4.03Å; A267-W277 HydrophobicContact CB-CZ2 4.18Å; A267-P698 HydrophobicContact CB-CB 4.17Å; A267-P698 HydrophobicContact CB-CG 4.07Å |
| 268 | E | 89.7 | Confident | 89.9 | Confident | 64 Ų | 64 | 38.2 Ų | 38.2 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -53.1 | -37 | -175.2 | -173.3 | 177 | 171.8 | 0 | 0 | 113.1 | Q265 C266 L270 F271 T272 W277 M283 | Q265-E268 PolarHBondContact NE2-OE2 2.76Å; Q265-E268 VanDerWaalsContact O-CB 3.25Å; Q265-E268 WeakPolarHBondContact O-CB 3.38Å; Q265-E268 PolarHBondContact O-N 3.27Å; C266-E268 VanDerWaalsContact C-N 3.34Å; E268-L270 PolarHBondContact O-N 2.8Å; E268-F271 PolarHBondContact O-N 3.5Å; E268-F271 VanDerWaalsContact O-N 3.12Å; E268-T272 PolarHBondContact O-N 2.65Å; E268-T272 PolarHBondContact O-OG1 3.37Å; E268-T272 VanDerWaalsContact O-OG1 3.07Å; E268-W277 VanDerWaalsContact CA-CZ3 3.47Å; E268-W277 HydrophobicContact CB-CE3 4.24Å; E268-W277 HydrophobicContact CB-CZ3 3.76Å; E268-W277 HydrophobicContact CG-CE3 4.32Å; E268-W277 HydrophobicContact CG-CZ3 4.27Å; E268-M283 HydrophobicContact CG-CE 4.02Å |
| 269 | H | 87.2 | Confident | 89.4 | Confident | 33 Ų | 33 | 37 Ų | 37 | 15% | 0.153 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.1 | -22.7 | 179.5 | 75 | -86.2 | 0 | 0 | 0 | 114 | C266 A267 | C266-H269 PolarHBondContact O-CE1 2.84Å; C266-H269 VanDerWaalsContact O-CE1 3.28Å; C266-H269 PolarHBondContact O-ND1 3.08Å; A267-H269 PolarHBondContact O-N 2.94Å; A267-H269 VanDerWaalsContact O-N 3.07Å |
| 270 | L | 89.8 | Confident | 88.7 | Confident | 65 Ų | 65 | 43 Ų | 43 | 34% | 0.34 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -75.4 | -28.3 | 176.4 | -57.9 | 175.4 | 0 | 0 | 0 | 111.5 | Y204 A267 E268 P698 M701 | Y204-L270 HydrophobicContact CE1-CD1 4.28Å; Y204-L270 HydrophobicContact CE2-CD1 4.01Å; A267-L270 HydrophobicContact CB-CD1 4.24Å; A267-L270 VanDerWaalsContact O-CB 3.28Å; A267-L270 WeakPolarHBondContact O-CB 3.38Å; A267-L270 PolarHBondContact O-N 3.07Å; E268-L270 PolarHBondContact O-N 2.8Å; L270-P698 HydrophobicContact CD1-CG 4.37Å; L270-M701 HydrophobicContact CD1-SD 3.98Å |
| 271 | F | 90.2 | Very high | 88.1 | Confident | 10 Ų | 10 | 45 Ų | 45 | 4% | 0.044 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -101.8 | -3.7 | -173.4 | -61.3 | -72.6 | 0 | 0 | 0 | 114.3 | K202 L203 Y204 A267 E268 S273 S274 L275 E276 W277 | K202-F271 WeakPolarHBondContact O-CZ 3.46Å; L203-F271 HydrophobicContact CD2-CE1 4.16Å; Y204-F271 AromaticContact CD2-CE2 3.73Å; Y204-F271 HydrophobicContact CD2-CE2 3.73Å; Y204-F271 AromaticContact CD2-CZ 3.63Å; Y204-F271 HydrophobicContact CD2-CZ 3.63Å; Y204-F271 HydrophobicContact CE2-CE2 4.24Å; Y204-F271 AromaticContact CE2-CZ 3.99Å; Y204-F271 HydrophobicContact CE2-CZ 3.99Å; Y204-F271 HydrophobicContact CG-CE2 4.46Å; A267-F271 HydrophobicContact CB-CE2 4.03Å; A267-F271 VanDerWaalsContact O-CD2 3.26Å; A267-F271 WeakPolarHBondContact O-CD2 3.47Å; E268-F271 PolarHBondContact O-N 3.5Å; E268-F271 VanDerWaalsContact O-N 3.12Å; F271-S273 PolarHBondContact O-N 3.04Å; F271-S274 PolarHBondContact O-N 3.09Å; F271-L275 PolarHBondContact O-N 2.91Å; F271-L275 VanDerWaalsContact O-N 3.13Å; F271-E276 HydrophobicContact CD1-CB 3.99Å; F271-E276 HydrophobicContact CE1-CB 4.48Å; F271-W277 HydrophobicContact CB-CB 3.76Å; F271-W277 HydrophobicContact CB-CD2 4.04Å; F271-W277 HydrophobicContact CB-CG 3.67Å; F271-W277 AromaticContact CD1-CD1 3.83Å; F271-W277 HydrophobicContact CD1-CG 4.28Å; F271-W277 AromaticContact CD2-CD1 3.72Å; F271-W277 AromaticContact CD2-CD2 3.48Å; F271-W277 HydrophobicContact CD2-CD2 3.48Å; F271-W277 VanDerWaalsContact CD2-CD2 3.48Å; F271-W277 AromaticContact CD2-CE2 3.28Å; F271-W277 HydrophobicContact CD2-CE3 4.08Å; F271-W277 AromaticContact CD2-CG 3.77Å; F271-W277 HydrophobicContact CD2-CG 3.77Å; F271-W277 HydrophobicContact CD2-CH2 4.32Å; F271-W277 AromaticContact CD2-CZ2 3.75Å; F271-W277 HydrophobicContact CD2-CZ2 3.75Å; F271-W277 HydrophobicContact CD2-CZ3 4.47Å; F271-W277 AromaticContact CD2-NE1 3.43Å; F271-W277 HydrophobicContact CE2-CD2 4.16Å; F271-W277 AromaticContact CE2-CE2 3.46Å; F271-W277 VanDerWaalsContact CE2-CE2 3.46Å; F271-W277 HydrophobicContact CE2-CH2 4.5Å; F271-W277 AromaticContact CE2-CZ2 3.67Å; F271-W277 HydrophobicContact CE2-CZ2 3.67Å; F271-W277 AromaticContact CE2-NE1 3.43Å; F271-W277 HydrophobicContact CG-CB 4.24Å; F271-W277 AromaticContact CG-CD1 3.58Å; F271-W277 AromaticContact CG-CD2 3.86Å; F271-W277 HydrophobicContact CG-CD2 3.86Å; F271-W277 AromaticContact CG-CE2 3.97Å; F271-W277 AromaticContact CG-CG 3.62Å; F271-W277 HydrophobicContact CG-CG 3.62Å; F271-W277 AromaticContact CG-NE1 3.79Å; F271-W277 AromaticContact CZ-NE1 3.77Å |
| 272 | T | 83.7 | Confident | 87.7 | Confident | 79 Ų | 79 | 52.4 Ų | 52.4 | 49% | 0.485 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -34.3 | -179.4 | -52 | 0 | 0 | 0 | 0 | 111.7 | E268 | E268-T272 PolarHBondContact O-N 2.65Å; E268-T272 PolarHBondContact O-OG1 3.37Å; E268-T272 VanDerWaalsContact O-OG1 3.07Å |
| 273 | S | 84 | Confident | 87.4 | Confident | 114 Ų | 114 | 52.3 Ų | 52.3 | 80% | 0.797 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -35.3 | -179.2 | -56.1 | 0 | 0 | 0 | 0 | 113.8 | F271 | F271-S273 PolarHBondContact O-N 3.04Š|
| 274 | S | 85.3 | Confident | 87.2 | Confident | 57 Ų | 57 | 52.7 Ų | 52.7 | 40% | 0.399 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -18.5 | -176.9 | 70 | 0 | 0 | 0 | 0 | 113.4 | F271 E276 | F271-S274 PolarHBondContact O-N 3.09Å; S274-E276 WeakPolarHBondContact CB-OE2 3.38Å; S274-E276 PolarHBondContact O-N 2.87Å; S274-E276 VanDerWaalsContact O-N 3.16Å; S274-E276 WeakPolarHBondContact OG-CG 3.32Å; S274-E276 PolarHBondContact OG-N 2.87Å; S274-E276 PolarHBondContact OG-OE2 3.5Å |
| 275 | L | 84.7 | Confident | 86.9 | Confident | 102 Ų | 102 | 57.3 Ų | 57.3 | 53% | 0.534 | 32% | 0.322 | S | S | . | . | trans | 58.4 | 17.5 | -174 | -56.2 | 175.2 | 0 | 0 | 0 | 113.6 | F271 W277 S278 | F271-L275 PolarHBondContact O-N 2.91Å; F271-L275 VanDerWaalsContact O-N 3.13Å; L275-W277 VanDerWaalsContact C-N 3.25Å; L275-W277 PolarHBondContact O-N 3.45Å; L275-S278 WeakPolarHBondContact O-CA 3.48Å; L275-S278 WeakPolarHBondContact O-CB 3.35Å; L275-S278 PolarHBondContact O-N 2.82Å; L275-S278 PolarHBondContact O-OG 3.11Å | ||
| 276 | E | 88.4 | Confident | 86.7 | Confident | 68 Ų | 68 | 57.1 Ų | 57.1 | 32% | 0.318 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -24.7 | 177.6 | -69.6 | 173.8 | 108.7 | 0 | 0 | 112.6 | L14 K202 L203 F271 S274 S278 | L14-E276 WeakPolarHBondContact CD2-O 3.45Å; K202-E276 WeakPolarHBondContact CE-OE1 3.31Å; K202-E276 IonicContact NZ-OE1 3.64Å; K202-E276 PolarHBondContact NZ-OE1 2.87Å; L203-E276 HydrophobicContact CD2-CB 4.29Å; F271-E276 HydrophobicContact CD1-CB 3.99Å; F271-E276 HydrophobicContact CE1-CB 4.48Å; S274-E276 WeakPolarHBondContact CB-OE2 3.38Å; S274-E276 PolarHBondContact O-N 2.87Å; S274-E276 VanDerWaalsContact O-N 3.16Å; S274-E276 WeakPolarHBondContact OG-CG 3.32Å; S274-E276 PolarHBondContact OG-N 2.87Å; S274-E276 PolarHBondContact OG-OE2 3.5Å; E276-S278 VanDerWaalsContact C-N 3.25Å |
| 277 | W | 91.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 12.9 | 167.2 | -80.3 | 17.3 | 0 | 0 | 0 | 113 | L203 L263 D264 A267 E268 F271 L275 M283 L284 F286 | L203-W277 WeakPolarHBondContact O-CZ2 3.34Å; L203-W277 PolarHBondContact O-NE1 3.24Å; L203-W277 VanDerWaalsContact O-NE1 3.15Å; L263-W277 HydrophobicContact CB-CH2 4.19Å; L263-W277 HydrophobicContact CB-CZ2 4.14Å; L263-W277 HydrophobicContact CD2-CD2 4.35Å; L263-W277 HydrophobicContact CD2-CH2 4.3Å; L263-W277 HydrophobicContact CD2-CZ2 3.59Å; L263-W277 HydrophobicContact CG-CZ2 4.47Å; D264-W277 VanDerWaalsContact O-CH2 3.31Å; D264-W277 WeakPolarHBondContact O-CH2 3.47Å; A267-W277 HydrophobicContact CB-CH2 4.03Å; A267-W277 HydrophobicContact CB-CZ2 4.18Å; E268-W277 VanDerWaalsContact CA-CZ3 3.47Å; E268-W277 HydrophobicContact CB-CE3 4.24Å; E268-W277 HydrophobicContact CB-CZ3 3.76Å; E268-W277 HydrophobicContact CG-CE3 4.32Å; E268-W277 HydrophobicContact CG-CZ3 4.27Å; F271-W277 HydrophobicContact CB-CB 3.76Å; F271-W277 HydrophobicContact CB-CD2 4.04Å; F271-W277 HydrophobicContact CB-CG 3.67Å; F271-W277 AromaticContact CD1-CD1 3.83Å; F271-W277 HydrophobicContact CD1-CG 4.28Å; F271-W277 AromaticContact CD2-CD1 3.72Å; F271-W277 AromaticContact CD2-CD2 3.48Å; F271-W277 HydrophobicContact CD2-CD2 3.48Å; F271-W277 VanDerWaalsContact CD2-CD2 3.48Å; F271-W277 AromaticContact CD2-CE2 3.28Å; F271-W277 HydrophobicContact CD2-CE3 4.08Å; F271-W277 AromaticContact CD2-CG 3.77Å; F271-W277 HydrophobicContact CD2-CG 3.77Å; F271-W277 HydrophobicContact CD2-CH2 4.32Å; F271-W277 AromaticContact CD2-CZ2 3.75Å; F271-W277 HydrophobicContact CD2-CZ2 3.75Å; F271-W277 HydrophobicContact CD2-CZ3 4.47Å; F271-W277 AromaticContact CD2-NE1 3.43Å; F271-W277 HydrophobicContact CE2-CD2 4.16Å; F271-W277 AromaticContact CE2-CE2 3.46Å; F271-W277 VanDerWaalsContact CE2-CE2 3.46Å; F271-W277 HydrophobicContact CE2-CH2 4.5Å; F271-W277 AromaticContact CE2-CZ2 3.67Å; F271-W277 HydrophobicContact CE2-CZ2 3.67Å; F271-W277 AromaticContact CE2-NE1 3.43Å; F271-W277 HydrophobicContact CG-CB 4.24Å; F271-W277 AromaticContact CG-CD1 3.58Å; F271-W277 AromaticContact CG-CD2 3.86Å; F271-W277 HydrophobicContact CG-CD2 3.86Å; F271-W277 AromaticContact CG-CE2 3.97Å; F271-W277 AromaticContact CG-CG 3.62Å; F271-W277 HydrophobicContact CG-CG 3.62Å; F271-W277 AromaticContact CG-NE1 3.79Å; F271-W277 AromaticContact CZ-NE1 3.77Å; L275-W277 VanDerWaalsContact C-N 3.25Å; L275-W277 PolarHBondContact O-N 3.45Å; W277-M283 HydrophobicContact CB-CE 4.5Å; W277-L284 HydrophobicContact CB-CB 4.34Å; W277-L284 HydrophobicContact CD2-CD2 4.13Å; W277-L284 HydrophobicContact CE3-CD2 4Å; W277-L284 HydrophobicContact CG-CD2 4.47Å; W277-L284 HydrophobicContact CZ3-CD2 4.46Å; W277-L284 VanDerWaalsContact O-CB 3.3Å; W277-L284 WeakPolarHBondContact O-CB 3.46Å; W277-L284 PolarHBondContact O-N 2.84Å; W277-F286 HydrophobicContact CE3-CZ 4.4Å; W277-F286 HydrophobicContact CH2-CZ 4.34Å; W277-F286 HydrophobicContact CZ3-CE2 4.38Å; W277-F286 AromaticContact CZ3-CZ 3.76Å; W277-F286 HydrophobicContact CZ3-CZ 3.76Å |
| 278 | S | 87.1 | Confident | 85.7 | Confident | 23 Ų | 23 | 62.2 Ų | 62.2 | 16% | 0.161 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 134.5 | 174.4 | 77 | 0 | 0 | 0 | 0 | 111.2 | L275 E276 K282 | L275-S278 WeakPolarHBondContact O-CA 3.48Å; L275-S278 WeakPolarHBondContact O-CB 3.35Å; L275-S278 PolarHBondContact O-N 2.82Å; L275-S278 PolarHBondContact O-OG 3.11Å; E276-S278 VanDerWaalsContact C-N 3.25Å; S278-K282 CarbonylContact C-O 3.47Å; S278-K282 WeakPolarHBondContact CA-O 3.34Å |
| 279 | V | 84.2 | Confident | 85 | Confident | 13 Ų | 13 | 61 Ų | 61 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 115.1 | 172.3 | -177.4 | 0 | 0 | 0 | 0 | 106.5 | L13 G281 K282 L284 | L13-V279 HydrophobicContact CB-CG1 4.46Å; L13-V279 HydrophobicContact CD1-CG1 3.48Å; L13-V279 VanDerWaalsContact CD1-CG1 3.48Å; V279-G281 VanDerWaalsContact C-N 3.25Å; V279-G281 PolarHBondContact O-N 3.13Å; V279-K282 PolarHBondContact N-O 3.42Å; V279-K282 PolarHBondContact O-N 2.99Å; V279-K282 VanDerWaalsContact O-N 3.12Å; V279-L284 HydrophobicContact CG2-CD1 4.03Å |
| 280 | N | 80.8 | Confident | 84.6 | Confident | 129 Ų | 129 | 60.7 Ų | 60.7 | 69% | 0.69 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 39.2 | -177.2 | -55.8 | -40.4 | 0 | 0 | 0 | 113.5 | E9 K282 | E9-N280 PolarHBondContact OE1-ND2 2.91Å; N280-K282 VanDerWaalsContact C-N 3.29Å; N280-K282 PolarHBondContact O-N 3.35Å |
| 281 | G | 81 | Confident | 83.7 | Confident | 69 Ų | 69 | 59.1 Ų | 59.1 | 71% | 0.711 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 3.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | V279 | V279-G281 VanDerWaalsContact C-N 3.25Å; V279-G281 PolarHBondContact O-N 3.13Å |
| 282 | K | 85 | Confident | 82.6 | Confident | 163 Ų | 163 | 63.6 Ų | 63.6 | 71% | 0.709 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 145.6 | 173.3 | -65.5 | -177.2 | -179.8 | 179.6 | 0 | 109.9 | S278 V279 N280 | S278-K282 CarbonylContact C-O 3.47Å; S278-K282 WeakPolarHBondContact CA-O 3.34Å; V279-K282 PolarHBondContact N-O 3.42Å; V279-K282 PolarHBondContact O-N 2.99Å; V279-K282 VanDerWaalsContact O-N 3.12Å; N280-K282 VanDerWaalsContact C-N 3.29Å; N280-K282 PolarHBondContact O-N 3.35Å |
| 283 | M | 86.2 | Confident | 81.8 | Confident | 67 Ų | 67 | 65.6 Ų | 65.6 | 33% | 0.33 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 145.5 | 173 | -75.6 | -64.2 | -69.8 | 0 | 0 | 110.8 | E268 W277 E285 | E268-M283 HydrophobicContact CG-CE 4.02Å; W277-M283 HydrophobicContact CB-CE 4.5Å; M283-E285 PolarHBondContact O-N 2.83Å |
| 284 | L | 89.7 | Confident | 81.1 | Confident | 9 Ų | 9 | 64 Ų | 64 | 5% | 0.047 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -48.3 | 134.4 | 178.4 | -175.2 | 62.2 | 0 | 0 | 0 | 112.3 | V6 L14 L263 W277 V279 F286 | V6-L284 HydrophobicContact CB-CD1 4.45Å; V6-L284 HydrophobicContact CG1-CD1 4.01Å; V6-L284 HydrophobicContact CG1-CD2 3.98Å; V6-L284 HydrophobicContact CG1-CG 4.1Å; L14-L284 HydrophobicContact CD1-CD1 4.21Å; L14-L284 HydrophobicContact CD1-CD2 4.28Å; L263-L284 HydrophobicContact CD1-CD2 4.38Å; L263-L284 HydrophobicContact CD2-CD2 3.98Å; W277-L284 HydrophobicContact CB-CB 4.34Å; W277-L284 HydrophobicContact CD2-CD2 4.13Å; W277-L284 HydrophobicContact CE3-CD2 4Å; W277-L284 HydrophobicContact CG-CD2 4.47Å; W277-L284 HydrophobicContact CZ3-CD2 4.46Å; W277-L284 VanDerWaalsContact O-CB 3.3Å; W277-L284 WeakPolarHBondContact O-CB 3.46Å; W277-L284 PolarHBondContact O-N 2.84Å; V279-L284 HydrophobicContact CG2-CD1 4.03Å; L284-F286 HydrophobicContact CD2-CE1 4.02Å; L284-F286 HydrophobicContact CD2-CE2 4.49Å; L284-F286 HydrophobicContact CD2-CZ 3.82Å; L284-F286 HydrophobicContact CG-CZ 4.37Å |
| 285 | E | 86.7 | Confident | 81 | Confident | 99 Ų | 99 | 63.2 Ų | 63.2 | 46% | 0.463 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -97.9 | 135.3 | 174.6 | -168.3 | -173.9 | 146.7 | 0 | 0 | 109.8 | Y7 M283 P287 | Y7-E285 HydrophobicContact CE2-CG 4.38Å; Y7-E285 PolarHBondContact OH-OE1 2.79Å; M283-E285 PolarHBondContact O-N 2.83Å; E285-P287 WeakPolarHBondContact O-CD 3.36Å |
| 286 | F | 86.7 | Confident | 81.2 | Confident | 29 Ų | 29 | 66.9 Ų | 66.9 | 13% | 0.127 | 36% | 0.363 | C | S | . | . | trans | -104.5 | 92.4 | 175.5 | -66.3 | -76.5 | 0 | 0 | 0 | 110.5 | K4 V6 L263 Q265 W277 L284 | K4-F286 HydrophobicContact CB-CB 4.3Å; K4-F286 HydrophobicContact CB-CD1 3.49Å; K4-F286 VanDerWaalsContact CB-CD1 3.49Å; K4-F286 HydrophobicContact CB-CE1 4.08Å; K4-F286 HydrophobicContact CB-CG 4.12Å; K4-F286 HydrophobicContact CD-CB 3.89Å; K4-F286 HydrophobicContact CD-CD1 4.31Å; K4-F286 HydrophobicContact CD-CG 4.09Å; V6-F286 HydrophobicContact CG1-CD1 3.8Å; V6-F286 HydrophobicContact CG1-CE1 3.88Å; L263-F286 HydrophobicContact CB-CE1 4.23Å; Q265-F286 HydrophobicContact CB-CE2 4.29Å; Q265-F286 HydrophobicContact CB-CZ 4.15Å; Q265-F286 HydrophobicContact CG-CD2 4.17Å; Q265-F286 HydrophobicContact CG-CE2 3.76Å; Q265-F286 HydrophobicContact CG-CZ 4.12Å; W277-F286 HydrophobicContact CE3-CZ 4.4Å; W277-F286 HydrophobicContact CH2-CZ 4.34Å; W277-F286 HydrophobicContact CZ3-CE2 4.38Å; W277-F286 AromaticContact CZ3-CZ 3.76Å; W277-F286 HydrophobicContact CZ3-CZ 3.76Å; L284-F286 HydrophobicContact CD2-CE1 4.02Å; L284-F286 HydrophobicContact CD2-CE2 4.49Å; L284-F286 HydrophobicContact CD2-CZ 3.82Å; L284-F286 HydrophobicContact CG-CZ 4.37Å | ||
| 287 | P | 83.9 | Confident | 81.4 | Confident | 18 Ų | 18 | 66.5 Ų | 66.5 | 12% | 0.117 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 151.8 | -178.8 | 24.2 | -33.3 | 0 | 0 | 0 | 113.7 | Y7 L58 E285 | Y7-P287 HydrophobicContact CD1-CB 4.27Å; Y7-P287 HydrophobicContact CD1-CG 3.84Å; Y7-P287 HydrophobicContact CD2-CB 4.45Å; Y7-P287 HydrophobicContact CD2-CG 3.9Å; Y7-P287 HydrophobicContact CE1-CB 3.64Å; Y7-P287 HydrophobicContact CE1-CG 3.74Å; Y7-P287 HydrophobicContact CE2-CB 3.85Å; Y7-P287 HydrophobicContact CE2-CG 3.8Å; Y7-P287 HydrophobicContact CG-CG 3.93Å; Y7-P287 VanDerWaalsContact CZ-CB 3.41Å; L58-P287 HydrophobicContact CD1-CB 4.27Å; L58-P287 HydrophobicContact CD1-CG 3.91Å; L58-P287 HydrophobicContact CD2-CG 4.28Å; L58-P287 HydrophobicContact CG-CG 4.14Å; E285-P287 WeakPolarHBondContact O-CD 3.36Å |
| 288 | F | 75.2 | Confident | 81.3 | Confident | 96 Ų | 96 | 67.7 Ų | 67.7 | 42% | 0.421 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 153.3 | 166.1 | -67.2 | -88.1 | 0 | 0 | 0 | 110.7 | K292 E294 | F288-K292 HydrophobicContact CB-CB 4.1Å; F288-E294 HydrophobicContact CD2-CB 4.02Å; F288-E294 HydrophobicContact CE1-CG 4.49Å; F288-E294 HydrophobicContact CE2-CB 3.45Å; F288-E294 VanDerWaalsContact CE2-CB 3.45Å; F288-E294 VanDerWaalsContact CE2-CD 3.45Å; F288-E294 HydrophobicContact CE2-CG 3.75Å; F288-E294 WeakPolarHBondContact CE2-OE2 3.25Å; F288-E294 HydrophobicContact CZ-CB 3.77Å; F288-E294 HydrophobicContact CZ-CG 3.6Å; F288-E294 WeakPolarHBondContact CZ-OE1 3.35Å |
| 289 | G | 73.8 | Confident | 81.3 | Confident | 38 Ų | 38 | 68.3 Ų | 68.3 | 39% | 0.392 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 147.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G291 K292 | G289-G291 PolarHBondContact O-N 3.1Å; G289-K292 WeakPolarHBondContact O-CB 3.18Å; G289-K292 PolarHBondContact O-N 3.06Å |
| 290 | F | 78.6 | Confident | 81.7 | Confident | 26 Ų | 26 | 71.7 Ų | 71.7 | 11% | 0.114 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.9 | 136.4 | 179.5 | -175.7 | -112.8 | 0 | 0 | 0 | 111.8 | V57 I59 F89 I91 T94 G96 L98 K292 | V57-F290 HydrophobicContact CB-CD2 4.17Å; V57-F290 HydrophobicContact CG2-CD2 3.77Å; V57-F290 HydrophobicContact CG2-CE2 4.05Å; V57-F290 WeakPolarHBondContact O-CB 3.15Å; I59-F290 HydrophobicContact CD1-CD1 4.23Å; I59-F290 HydrophobicContact CD1-CD2 3.76Å; I59-F290 HydrophobicContact CD1-CE1 4.17Å; I59-F290 HydrophobicContact CD1-CE2 3.71Å; I59-F290 HydrophobicContact CD1-CG 4.04Å; I59-F290 HydrophobicContact CD1-CZ 3.92Å; I59-F290 HydrophobicContact CG1-CB 4.01Å; I59-F290 HydrophobicContact CG1-CD1 3.91Å; I59-F290 HydrophobicContact CG1-CD2 3.72Å; I59-F290 HydrophobicContact CG1-CE1 4.35Å; I59-F290 HydrophobicContact CG1-CE2 4.2Å; I59-F290 HydrophobicContact CG1-CG 3.58Å; I59-F290 HydrophobicContact CG1-CZ 4.48Å; F89-F290 HydrophobicContact CB-CZ 4.09Å; F89-F290 WeakPolarHBondContact O-CE1 3.4Å; F89-F290 WeakPolarHBondContact O-CZ 3.47Å; I91-F290 HydrophobicContact CD1-CD1 3.89Å; I91-F290 HydrophobicContact CD1-CE1 3.86Å; I91-F290 HydrophobicContact CG1-CD1 4.41Å; I91-F290 HydrophobicContact CG1-CE1 4.07Å; T94-F290 HydrophobicContact CG2-CD1 3.88Å; T94-F290 WeakPolarHBondContact CG2-O 3.41Å; G96-F290 VanDerWaalsContact CA-CZ 3.44Å; L98-F290 HydrophobicContact CD2-CE2 3.92Å; L98-F290 HydrophobicContact CD2-CZ 4.23Å; F290-K292 VanDerWaalsContact C-N 3.28Å; F290-K292 PolarHBondContact O-N 3.02Å |
| 291 | G | 71.2 | Confident | 82.2 | Confident | 33 Ų | 33 | 65.6 Ų | 65.6 | 34% | 0.34 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -8.7 | -180 | 0 | 0 | 0 | 0 | 0 | 116.2 | C95 G289 | C95-G291 WeakPolarHBondContact O-CA 3.31Å; G289-G291 PolarHBondContact O-N 3.1Å |
| 292 | K | 68.1 | Low | 82.4 | Confident | 104 Ų | 104 | 64.4 Ų | 64.4 | 45% | 0.452 | 34% | 0.335 | S | S | . | . | trans | -95.5 | 126.8 | 167.9 | -65.2 | -174 | -179 | -179.9 | 0 | 109.3 | F288 G289 F290 | F288-K292 HydrophobicContact CB-CB 4.1Å; G289-K292 WeakPolarHBondContact O-CB 3.18Å; G289-K292 PolarHBondContact O-N 3.06Å; F290-K292 VanDerWaalsContact C-N 3.28Å; F290-K292 PolarHBondContact O-N 3.02Å | ||
| 293 | T | 66 | Low | 82.6 | Confident | 121 Ų | 121 | 62 Ų | 62 | 74% | 0.742 | 33% | 0.325 | S | S | * | . | trans | -114 | 125.3 | 169.1 | 42.8 | 0 | 0 | 0 | 0 | 108.2 | T295 | T293-T295 PolarHBondContact O-N 3.42Š| ||
| 294 | E | 68.9 | Low | 82.7 | Confident | 79 Ų | 79 | 60 Ų | 60 | 37% | 0.369 | 32% | 0.316 | S | S | . | . | trans | -62.2 | 125.3 | 173.6 | -159.8 | 175.5 | -150.2 | 0 | 0 | 109.5 | F288 E298 A299 | F288-E294 HydrophobicContact CD2-CB 4.02Å; F288-E294 HydrophobicContact CE1-CG 4.49Å; F288-E294 HydrophobicContact CE2-CB 3.45Å; F288-E294 VanDerWaalsContact CE2-CB 3.45Å; F288-E294 VanDerWaalsContact CE2-CD 3.45Å; F288-E294 HydrophobicContact CE2-CG 3.75Å; F288-E294 WeakPolarHBondContact CE2-OE2 3.25Å; F288-E294 HydrophobicContact CZ-CB 3.77Å; F288-E294 HydrophobicContact CZ-CG 3.6Å; F288-E294 WeakPolarHBondContact CZ-OE1 3.35Å; E294-E298 HydrophobicContact CG-CB 3.68Å; E294-A299 VanDerWaalsContact CD-CA 3.43Å; E294-A299 VanDerWaalsContact CD-CB 3.47Å; E294-A299 HydrophobicContact CG-CB 3.99Å; E294-A299 WeakPolarHBondContact OE1-CA 3.39Å; E294-A299 PolarHBondContact OE1-N 3.36Å; E294-A299 WeakPolarHBondContact OE2-CB 3.49Å | ||
| 295 | T | 83.5 | Confident | 82.5 | Confident | 42 Ų | 42 | 60.6 Ų | 60.6 | 26% | 0.258 | 32% | 0.319 | S | S | . | . | trans | -71.3 | 158.2 | 168.9 | 59 | 0 | 0 | 0 | 0 | 110.1 | T293 E297 E298 A299 I316 | T293-T295 PolarHBondContact O-N 3.42Å; T295-E297 PolarHBondContact O-N 3.35Å; T295-E297 VanDerWaalsContact O-N 3.16Å; T295-E298 WeakPolarHBondContact CB-OE2 3.37Å; T295-E298 PolarHBondContact N-OE2 3.11Å; T295-E298 PolarHBondContact O-N 2.73Å; T295-E298 WeakPolarHBondContact OG1-CB 3.28Å; T295-E298 VanDerWaalsContact OG1-CD 3.25Å; T295-E298 WeakPolarHBondContact OG1-CG 3.28Å; T295-E298 PolarHBondContact OG1-N 3.39Å; T295-E298 PolarHBondContact OG1-OE2 3.33Å; T295-A299 PolarHBondContact O-N 2.85Å; T295-A299 VanDerWaalsContact O-N 3.08Å; T295-I316 HydrophobicContact CG2-CD1 3.9Å; T295-I316 VanDerWaalsContact OG1-CD1 3.27Å; T295-I316 WeakPolarHBondContact OG1-CD1 3.45Å | ||
| 296 | K | 90 | Very high | 82.2 | Confident | 178 Ų | 178 | 59.7 Ų | 59.7 | 77% | 0.774 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.2 | -31.6 | 179.2 | -67.7 | 179.6 | -179.7 | 176.9 | 0 | 111.2 | Y300 | K296-Y300 WeakPolarHBondContact O-CB 3.28Å; K296-Y300 PolarHBondContact O-N 2.98Å |
| 297 | E | 91.7 | Very high | 82 | Confident | 61 Ų | 61 | 67.3 Ų | 67.3 | 29% | 0.285 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -73.9 | -43.7 | -179.7 | -63.5 | 79.1 | -171 | 0 | 0 | 112 | T295 A299 Y300 I301 T381 L385 | T295-E297 PolarHBondContact O-N 3.35Å; T295-E297 VanDerWaalsContact O-N 3.16Å; E297-A299 VanDerWaalsContact C-N 3.35Å; E297-Y300 PolarHBondContact O-N 2.82Å; E297-I301 WeakPolarHBondContact O-CG1 3.43Å; E297-I301 PolarHBondContact O-N 2.9Å; E297-T381 HydrophobicContact CB-CG2 3.69Å; E297-T381 HydrophobicContact CG-CG2 4.05Å; E297-L385 HydrophobicContact CB-CD1 3.93Å; E297-L385 HydrophobicContact CB-CD2 4.12Å; E297-L385 HydrophobicContact CB-CG 4.21Å; E297-L385 HydrophobicContact CG-CD1 4.19Å; E297-L385 HydrophobicContact CG-CD2 3.67Å; E297-L385 HydrophobicContact CG-CG 3.9Å |
| 298 | E | 88.8 | Confident | 81.8 | Confident | 24 Ų | 24 | 68.7 Ų | 68.7 | 11% | 0.112 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60 | -45.2 | 172.1 | -73.8 | 165 | 142.7 | 0 | 0 | 111.3 | E294 T295 Y300 I301 A302 T315 I316 | E294-E298 HydrophobicContact CG-CB 3.68Å; T295-E298 WeakPolarHBondContact CB-OE2 3.37Å; T295-E298 PolarHBondContact N-OE2 3.11Å; T295-E298 PolarHBondContact O-N 2.73Å; T295-E298 WeakPolarHBondContact OG1-CB 3.28Å; T295-E298 VanDerWaalsContact OG1-CD 3.25Å; T295-E298 WeakPolarHBondContact OG1-CG 3.28Å; T295-E298 PolarHBondContact OG1-N 3.39Å; T295-E298 PolarHBondContact OG1-OE2 3.33Å; E298-Y300 VanDerWaalsContact C-N 3.3Å; E298-Y300 PolarHBondContact O-N 3.11Å; E298-I301 PolarHBondContact O-N 2.95Å; E298-A302 WeakPolarHBondContact O-CB 3.47Å; E298-A302 PolarHBondContact O-N 3.36Å; E298-T315 VanDerWaalsContact OE1-CA 3.3Å; E298-T315 WeakPolarHBondContact OE1-CA 3.27Å; E298-I316 HydrophobicContact CG-CD1 4.35Å; E298-I316 HydrophobicContact CG-CG1 4.12Å; E298-I316 PolarHBondContact OE1-N 3.29Å |
| 299 | A | 86.8 | Confident | 81.8 | Confident | 36 Ų | 36 | 68 Ų | 68 | 30% | 0.298 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E294 T295 E297 K303 | E294-A299 VanDerWaalsContact CD-CA 3.43Å; E294-A299 VanDerWaalsContact CD-CB 3.47Å; E294-A299 HydrophobicContact CG-CB 3.99Å; E294-A299 WeakPolarHBondContact OE1-CA 3.39Å; E294-A299 PolarHBondContact OE1-N 3.36Å; E294-A299 WeakPolarHBondContact OE2-CB 3.49Å; T295-A299 PolarHBondContact O-N 2.85Å; T295-A299 VanDerWaalsContact O-N 3.08Å; E297-A299 VanDerWaalsContact C-N 3.35Å; A299-K303 WeakPolarHBondContact O-CB 3.37Å; A299-K303 PolarHBondContact O-N 3.42Å |
| 300 | Y | 92.9 | Very high | 82.3 | Confident | 85 Ų | 85 | 66.6 Ų | 66.6 | 33% | 0.333 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65 | -47 | 176.9 | 179.9 | -111.5 | 0 | 0 | 0 | 111.5 | K296 E297 E298 K303 L304 E377 | K296-Y300 WeakPolarHBondContact O-CB 3.28Å; K296-Y300 PolarHBondContact O-N 2.98Å; E297-Y300 PolarHBondContact O-N 2.82Å; E298-Y300 VanDerWaalsContact C-N 3.3Å; E298-Y300 PolarHBondContact O-N 3.11Å; Y300-K303 WeakPolarHBondContact O-CB 3.28Å; Y300-K303 PolarHBondContact O-N 3.42Å; Y300-L304 HydrophobicContact CD1-CD1 4.29Å; Y300-L304 HydrophobicContact CE1-CD1 3.72Å; Y300-L304 HydrophobicContact CE1-CG 4.36Å; Y300-L304 PolarHBondContact O-N 3.35Å; Y300-L304 VanDerWaalsContact O-N 3.09Å; Y300-E377 HydrophobicContact CE1-CB 4.36Å; Y300-E377 PolarHBondContact OH-OE2 3.02Å |
| 301 | I | 92.2 | Very high | 82.5 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.9 | -43 | 177.2 | -63.7 | -50.2 | 0 | 0 | 0 | 111.6 | E297 E298 K303 L304 D305 L312 L314 Y378 T381 | E297-I301 WeakPolarHBondContact O-CG1 3.43Å; E297-I301 PolarHBondContact O-N 2.9Å; E298-I301 PolarHBondContact O-N 2.95Å; I301-K303 PolarHBondContact O-N 2.91Å; I301-L304 HydrophobicContact CD1-CD1 4.15Å; I301-L304 WeakPolarHBondContact O-CB 3.33Å; I301-L304 PolarHBondContact O-N 2.73Å; I301-D305 PolarHBondContact O-N 3.28Å; I301-L312 HydrophobicContact CG2-CB 4Å; I301-L312 WeakPolarHBondContact CG2-O 3.48Å; I301-L314 HydrophobicContact CB-CB 4.12Å; I301-L314 HydrophobicContact CG1-CB 4.06Å; I301-L314 HydrophobicContact CG1-CD2 3.85Å; I301-L314 HydrophobicContact CG2-CB 3.99Å; I301-Y378 HydrophobicContact CD1-CD2 3.83Å; I301-Y378 HydrophobicContact CD1-CG 4.47Å; I301-Y378 HydrophobicContact CG1-CD2 4.32Å; I301-Y378 HydrophobicContact CG2-CD2 4Å; I301-Y378 HydrophobicContact CG2-CE2 3.93Å; I301-T381 HydrophobicContact CD1-CG2 4.13Å; I301-T381 HydrophobicContact CG1-CG2 4.12Å |
| 302 | A | 85.3 | Confident | 83.4 | Confident | 43 Ų | 43 | 64.1 Ų | 64.1 | 36% | 0.355 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.3 | -35.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | E298 A306 | E298-A302 WeakPolarHBondContact O-CB 3.47Å; E298-A302 PolarHBondContact O-N 3.36Å; A302-A306 WeakPolarHBondContact O-CB 3.23Å; A302-A306 PolarHBondContact O-N 3.33Å; A302-A306 VanDerWaalsContact O-N 3.12Å |
| 303 | K | 88.2 | Confident | 84.4 | Confident | 113 Ų | 113 | 60.9 Ų | 60.9 | 49% | 0.491 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70 | -35.1 | 174.4 | -176 | -179.9 | 178.9 | -179 | 0 | 112.9 | A299 Y300 I301 R307 | A299-K303 WeakPolarHBondContact O-CB 3.37Å; A299-K303 PolarHBondContact O-N 3.42Å; Y300-K303 WeakPolarHBondContact O-CB 3.28Å; Y300-K303 PolarHBondContact O-N 3.42Å; I301-K303 PolarHBondContact O-N 2.91Å; K303-R307 VanDerWaalsContact CE-CZ 3.46Å; K303-R307 WeakPolarHBondContact O-CD 3.37Å; K303-R307 VanDerWaalsContact O-CG 3.3Å; K303-R307 WeakPolarHBondContact O-CG 3.27Å |
| 304 | L | 89.1 | Confident | 85.6 | Confident | 25 Ų | 25 | 55.8 Ų | 55.8 | 13% | 0.131 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.8 | -47 | 173.8 | -66.4 | 179.4 | 0 | 0 | 0 | 110.9 | Y300 I301 A306 R307 T308 L312 L374 E377 | Y300-L304 HydrophobicContact CD1-CD1 4.29Å; Y300-L304 HydrophobicContact CE1-CD1 3.72Å; Y300-L304 HydrophobicContact CE1-CG 4.36Å; Y300-L304 PolarHBondContact O-N 3.35Å; Y300-L304 VanDerWaalsContact O-N 3.09Å; I301-L304 HydrophobicContact CD1-CD1 4.15Å; I301-L304 WeakPolarHBondContact O-CB 3.33Å; I301-L304 PolarHBondContact O-N 2.73Å; L304-A306 PolarHBondContact O-N 2.99Å; L304-R307 PolarHBondContact O-N 3.03Å; L304-R307 VanDerWaalsContact O-N 3.07Å; L304-T308 WeakPolarHBondContact O-CG2 3.45Å; L304-L312 HydrophobicContact CB-CD1 3.76Å; L304-L374 HydrophobicContact CD2-CD2 4.41Å; L304-E377 HydrophobicContact CD1-CB 3.88Å |
| 305 | D | 85.8 | Confident | 86.5 | Confident | 22 Ų | 22 | 54.3 Ų | 54.3 | 12% | 0.118 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -52 | -49.6 | 176 | -173.7 | 61.5 | 0 | 0 | 0 | 111.9 | I301 R307 T308 S311 L312 K313 | I301-D305 PolarHBondContact O-N 3.28Å; D305-R307 PolarHBondContact O-N 3.47Å; D305-R307 VanDerWaalsContact O-N 3.08Å; D305-T308 PolarHBondContact O-N 2.89Å; D305-S311 WeakPolarHBondContact OD1-CA 3.4Å; D305-L312 HydrophobicContact CB-CB 4.16Å; D305-L312 VanDerWaalsContact CB-O 3.31Å; D305-L312 WeakPolarHBondContact CB-O 3.19Å; D305-L312 PolarHBondContact OD1-N 2.67Å; D305-K313 IonicContact OD1-NZ 3.99Å; D305-K313 PolarHBondContact OD1-NZ 3.44Å; D305-K313 IonicContact OD2-NZ 3.65Å; D305-K313 PolarHBondContact OD2-NZ 2.77Å |
| 306 | A | 79.8 | Confident | 86.7 | Confident | 79 Ų | 79 | 53.4 Ų | 53.4 | 65% | 0.653 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -14.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | A302 L304 | A302-A306 WeakPolarHBondContact O-CB 3.23Å; A302-A306 PolarHBondContact O-N 3.33Å; A302-A306 VanDerWaalsContact O-N 3.12Å; L304-A306 PolarHBondContact O-N 2.99Å |
| 307 | R | 81.5 | Confident | 86.5 | Confident | 189 Ų | 189 | 47.5 Ų | 47.5 | 71% | 0.713 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -1.9 | -176.3 | -70.2 | 174 | 176.3 | -156.6 | -9.1 | 113.8 | K303 L304 D305 | K303-R307 VanDerWaalsContact CE-CZ 3.46Å; K303-R307 WeakPolarHBondContact O-CD 3.37Å; K303-R307 VanDerWaalsContact O-CG 3.3Å; K303-R307 WeakPolarHBondContact O-CG 3.27Å; L304-R307 PolarHBondContact O-N 3.03Å; L304-R307 VanDerWaalsContact O-N 3.07Å; D305-R307 PolarHBondContact O-N 3.47Å; D305-R307 VanDerWaalsContact O-N 3.08Å |
| 308 | T | 80.6 | Confident | 86.2 | Confident | 47 Ų | 47 | 46.4 Ų | 46.4 | 29% | 0.288 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -131.3 | 160.1 | -176.2 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | L304 D305 A310 L312 L374 | L304-T308 WeakPolarHBondContact O-CG2 3.45Å; D305-T308 PolarHBondContact O-N 2.89Å; T308-A310 VanDerWaalsContact C-N 3.27Å; T308-A310 HydrophobicContact CG2-CB 3.85Å; T308-A310 PolarHBondContact OG1-N 2.84Å; T308-L312 HydrophobicContact CG2-CD1 4.34Å; T308-L374 HydrophobicContact CG2-CD1 4.06Å; T308-L374 WeakPolarHBondContact OG1-CD1 3.18Å |
| 309 | G | 74.1 | Confident | 86.1 | Confident | 83 Ų | 83 | 48.7 Ų | 48.7 | 86% | 0.856 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -82.2 | -7.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 310 | A | 84.3 | Confident | 86.1 | Confident | 8 Ų | 8 | 53 Ų | 53 | 7% | 0.066 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -74.1 | 164.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | T308 S367 P370 | T308-A310 VanDerWaalsContact C-N 3.27Å; T308-A310 HydrophobicContact CG2-CB 3.85Å; T308-A310 PolarHBondContact OG1-N 2.84Å; A310-S367 WeakPolarHBondContact CA-O 3.08Å; A310-S367 VanDerWaalsContact CB-O 3.27Å; A310-S367 WeakPolarHBondContact CB-O 3.43Å; A310-P370 HydrophobicContact CB-CB 4.02Å |
| 311 | S | 84.6 | Confident | 86 | Confident | 5 Ų | 5 | 49 Ų | 49 | 4% | 0.035 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 130.1 | 170.6 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | D305 K313 E365 Y366 S367 | D305-S311 WeakPolarHBondContact OD1-CA 3.4Å; S311-K313 WeakPolarHBondContact OG-CE 3.34Å; S311-K313 PolarHBondContact OG-NZ 2.98Å; S311-K313 VanDerWaalsContact OG-NZ 3.08Å; S311-E365 WeakPolarHBondContact CB-OE1 3.28Å; S311-E365 PolarHBondContact OG-OE1 3.33Å; S311-Y366 CarbonylContact O-C 3.57Å; S311-Y366 VanDerWaalsContact O-CA 3.31Å; S311-Y366 WeakPolarHBondContact O-CA 3.32Å; S311-S367 PolarHBondContact N-O 3.17Å; S311-S367 PolarHBondContact O-N 2.95Å |
| 312 | L | 90.2 | Very high | 86 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 107.9 | 176.9 | -59 | 171.1 | 0 | 0 | 0 | 108.2 | I301 L304 D305 T308 P370 L374 Y378 | I301-L312 HydrophobicContact CG2-CB 4Å; I301-L312 WeakPolarHBondContact CG2-O 3.48Å; L304-L312 HydrophobicContact CB-CD1 3.76Å; D305-L312 HydrophobicContact CB-CB 4.16Å; D305-L312 VanDerWaalsContact CB-O 3.31Å; D305-L312 WeakPolarHBondContact CB-O 3.19Å; D305-L312 PolarHBondContact OD1-N 2.67Å; T308-L312 HydrophobicContact CG2-CD1 4.34Å; L312-P370 HydrophobicContact CD2-CB 4.45Å; L312-L374 HydrophobicContact CD1-CB 4.48Å; L312-L374 HydrophobicContact CD1-CD2 4.27Å; L312-Y378 HydrophobicContact CB-CD2 4.27Å; L312-Y378 HydrophobicContact CD2-CD2 4.07Å; L312-Y378 HydrophobicContact CD2-CG 4.43Å |
| 313 | K | 89.2 | Confident | 86.5 | Confident | 37 Ų | 37 | 47.3 Ų | 47.3 | 16% | 0.161 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 137.1 | -179.3 | -50.5 | -62.3 | -173.4 | -119.8 | 0 | 110.3 | D305 S311 G364 E365 Y378 | D305-K313 IonicContact OD1-NZ 3.99Å; D305-K313 PolarHBondContact OD1-NZ 3.44Å; D305-K313 IonicContact OD2-NZ 3.65Å; D305-K313 PolarHBondContact OD2-NZ 2.77Å; S311-K313 WeakPolarHBondContact OG-CE 3.34Å; S311-K313 PolarHBondContact OG-NZ 2.98Å; S311-K313 VanDerWaalsContact OG-NZ 3.08Å; K313-G364 CarbonylContact O-C 3.5Å; K313-G364 WeakPolarHBondContact O-CA 3.23Å; K313-E365 HydrophobicContact CB-CG 4.2Å; K313-E365 HydrophobicContact CG-CG 4.14Å; K313-E365 PolarHBondContact N-O 3.12Å; K313-E365 PolarHBondContact O-N 3.44Å; K313-Y378 PolarHBondContact O-OH 3.07Å |
| 314 | L | 91 | Very high | 86.9 | Confident | 14 Ų | 14 | 42 Ų | 42 | 7% | 0.073 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 135.8 | 172.5 | -178.9 | 62.3 | 0 | 0 | 0 | 109.3 | I301 N362 T381 I382 L385 | I301-L314 HydrophobicContact CB-CB 4.12Å; I301-L314 HydrophobicContact CG1-CB 4.06Å; I301-L314 HydrophobicContact CG1-CD2 3.85Å; I301-L314 HydrophobicContact CG2-CB 3.99Å; L314-N362 HydrophobicContact CD1-CB 4.15Å; L314-T381 HydrophobicContact CD2-CG2 4.16Å; L314-I382 HydrophobicContact CD1-CG1 4.47Å; L314-L385 HydrophobicContact CD2-CD1 4.01Å |
| 315 | T | 86.6 | Confident | 87.3 | Confident | 47 Ų | 47 | 40.9 Ų | 40.9 | 29% | 0.288 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 124.2 | 171.5 | -58.7 | 0 | 0 | 0 | 0 | 108.3 | E298 L317 N362 Y363 | E298-T315 VanDerWaalsContact OE1-CA 3.3Å; E298-T315 WeakPolarHBondContact OE1-CA 3.27Å; T315-L317 HydrophobicContact CG2-CD2 4.26Å; T315-N362 CarbonylContact O-C 3.49Å; T315-N362 VanDerWaalsContact O-CA 3.32Å; T315-N362 WeakPolarHBondContact O-CA 3.24Å; T315-Y363 PolarHBondContact N-O 3.33Å; T315-Y363 PolarHBondContact O-N 2.72Å; T315-Y363 VanDerWaalsContact O-O 3.08Å |
| 316 | I | 87.9 | Confident | 87.8 | Confident | 24 Ų | 24 | 40 Ų | 40 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 119.3 | -179.5 | -55.5 | 177.3 | 0 | 0 | 0 | 108.2 | T295 E298 P319 L385 | T295-I316 HydrophobicContact CG2-CD1 3.9Å; T295-I316 VanDerWaalsContact OG1-CD1 3.27Å; T295-I316 WeakPolarHBondContact OG1-CD1 3.45Å; E298-I316 HydrophobicContact CG-CD1 4.35Å; E298-I316 HydrophobicContact CG-CG1 4.12Å; E298-I316 PolarHBondContact OE1-N 3.29Å; I316-P319 HydrophobicContact CG2-CB 4.32Å; I316-P319 HydrophobicContact CG2-CG 3.7Å; I316-L385 HydrophobicContact CD1-CD1 3.62Å; I316-L385 HydrophobicContact CD1-CD2 3.73Å; I316-L385 HydrophobicContact CD1-CG 4.33Å; I316-L385 HydrophobicContact CG1-CD1 4.17Å |
| 317 | L | 84.9 | Confident | 88.4 | Confident | 53 Ų | 53 | 36.2 Ų | 36.2 | 28% | 0.277 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -94.7 | -49.4 | -178 | -59.1 | 176.5 | 0 | 0 | 0 | 110.7 | T315 L360 A361 L848 I868 | T315-L317 HydrophobicContact CG2-CD2 4.26Å; L317-L360 HydrophobicContact CD1-CD2 3.67Å; L317-L360 HydrophobicContact CD1-CG 3.96Å; L317-A361 PolarHBondContact N-O 3.04Å; L317-L848 HydrophobicContact CD1-CD1 4.04Å; L317-L848 HydrophobicContact CD1-CD2 4.23Å; L317-I868 HydrophobicContact CD2-CD1 4.1Å |
| 318 | N | 86.2 | Confident | 89 | Confident | 39 Ų | 39 | 27.4 Ų | 27.4 | 21% | 0.209 | 17% | 0.173 | C | C | . | . | trans | -145.7 | 103.5 | 174.8 | 178.2 | 12.1 | 0 | 0 | 0 | 109.3 | N320 G321 K358 A361 | N318-N320 PolarHBondContact O-N 3.15Å; N318-N320 PolarHBondContact OD1-N 3.28Å; N318-N320 VanDerWaalsContact OD1-N 3.1Å; N318-G321 PolarHBondContact ND2-N 3.26Å; N318-G321 WeakPolarHBondContact O-CA 3.49Å; N318-G321 PolarHBondContact O-N 3.47Å; N318-K358 PolarHBondContact ND2-O 3.15Å; N318-A361 PolarHBondContact N-O 3.38Å; N318-A361 WeakPolarHBondContact O-CA 3.38Å; N318-A361 WeakPolarHBondContact O-CB 3.3Å | ||
| 319 | P | 86.5 | Confident | 89.2 | Confident | 72 Ų | 72 | 25.8 Ų | 25.8 | 47% | 0.468 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -26 | 178.8 | -20.9 | 28 | 0 | 0 | 0 | 114.1 | I316 G321 | I316-P319 HydrophobicContact CG2-CB 4.32Å; I316-P319 HydrophobicContact CG2-CG 3.7Å; P319-G321 VanDerWaalsContact C-N 3.35Å |
| 320 | N | 87.5 | Confident | 89.7 | Confident | 125 Ų | 125 | 22 Ų | 22 | 67% | 0.668 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -0.5 | 177.9 | -61.2 | -44.5 | 0 | 0 | 0 | 113.1 | N318 | N318-N320 PolarHBondContact O-N 3.15Å; N318-N320 PolarHBondContact OD1-N 3.28Å; N318-N320 VanDerWaalsContact OD1-N 3.1Å |
| 321 | G | 89.7 | Confident | 89.8 | Confident | 2 Ų | 2 | 21.7 Ų | 21.7 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | trans | -59.5 | 141.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | N318 P319 W324 D359 | N318-G321 PolarHBondContact ND2-N 3.26Å; N318-G321 WeakPolarHBondContact O-CA 3.49Å; N318-G321 PolarHBondContact O-N 3.47Å; P319-G321 VanDerWaalsContact C-N 3.35Å; G321-W324 PolarHBondContact O-NE1 3.4Å; G321-D359 CarbonylContact C-O 3.56Å; G321-D359 WeakPolarHBondContact CA-O 3.46Å | ||
| 322 | R | 93.1 | Very high | 90.2 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 3% | 0.03 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -84.6 | -19.6 | -177.9 | 68.5 | 179 | -65.7 | -87.8 | 1.5 | 113.3 | D359 K396 V397 | R322-D359 HydrophobicContact CG-CB 4.05Å; R322-D359 PolarHBondContact N-O 2.88Å; R322-K396 CarbonylContact O-C 3.51Å; R322-K396 VanDerWaalsContact O-CA 3.28Å; R322-K396 WeakPolarHBondContact O-CA 3.49Å; R322-K396 WeakPolarHBondContact O-CB 3.18Å; R322-V397 PolarHBondContact O-N 3.03Å |
| 323 | I | 95.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 114.4 | -177.6 | -53.4 | -175.8 | 0 | 0 | 0 | 109.7 | V340 D359 A361 L399 F479 | I323-V340 HydrophobicContact CB-CG1 4.35Å; I323-V340 HydrophobicContact CD1-CG1 3.98Å; I323-V340 HydrophobicContact CG2-CG1 4.04Å; I323-V340 HydrophobicContact CG2-CG2 4.12Å; I323-D359 HydrophobicContact CD1-CB 4.18Å; I323-D359 HydrophobicContact CG1-CB 4.26Å; I323-D359 PolarHBondContact N-O 3.04Å; I323-A361 WeakPolarHBondContact O-CB 3.02Å; I323-A361 PolarHBondContact O-N 3.03Å; I323-L399 HydrophobicContact CG2-CD1 3.82Å; I323-L399 HydrophobicContact CG2-CG 4.26Å; I323-F479 HydrophobicContact CD1-CD1 4.48Å; I323-F479 HydrophobicContact CD1-CE1 3.59Å; I323-F479 HydrophobicContact CD1-CE2 3.63Å; I323-F479 HydrophobicContact CD1-CZ 3.08Å |
| 324 | W | 97.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 0% | 0.004 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 140.8 | 177.3 | -70.8 | 75.2 | 0 | 0 | 0 | 110.1 | G321 A361 N362 I382 L385 M386 V397 L398 L399 | G321-W324 PolarHBondContact O-NE1 3.4Å; W324-A361 HydrophobicContact CD2-CB 3.52Å; W324-A361 HydrophobicContact CE3-CB 4.07Å; W324-A361 HydrophobicContact CG-CB 3.88Å; W324-A361 HydrophobicContact CH2-CB 4.11Å; W324-A361 HydrophobicContact CZ2-CB 3.58Å; W324-A361 HydrophobicContact CZ3-CB 4.35Å; W324-N362 WeakPolarHBondContact CA-OD1 3.45Å; W324-N362 HydrophobicContact CE3-CB 4.09Å; W324-N362 HydrophobicContact CZ3-CB 4.03Å; W324-I382 HydrophobicContact CE3-CG2 4.05Å; W324-L385 HydrophobicContact CH2-CB 3.53Å; W324-L385 HydrophobicContact CH2-CD1 4.48Å; W324-L385 HydrophobicContact CZ2-CB 4.43Å; W324-L385 HydrophobicContact CZ3-CB 3.72Å; W324-L385 HydrophobicContact CZ3-CD1 4.2Å; W324-M386 HydrophobicContact CB-CE 4.18Å; W324-M386 HydrophobicContact CD2-CB 3.54Å; W324-M386 VanDerWaalsContact CE2-CB 3.43Å; W324-M386 HydrophobicContact CE3-CB 4.17Å; W324-M386 HydrophobicContact CG-CB 3.76Å; W324-M386 HydrophobicContact CG-CE 4.08Å; W324-M386 HydrophobicContact CZ2-CB 3.98Å; W324-V397 PolarHBondContact N-O 3.29Å; W324-L398 HydrophobicContact CB-CD1 3.93Å; W324-L399 PolarHBondContact O-N 3.43Å |
| 325 | T | 96.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.012 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 133.3 | 179.2 | 65.5 | 0 | 0 | 0 | 0 | 110.8 | L360 N362 L399 | T325-L360 HydrophobicContact CG2-CD1 3.88Å; T325-N362 PolarHBondContact N-OD1 2.85Å; T325-N362 PolarHBondContact O-ND2 2.9Å; T325-N362 PolarHBondContact OG1-O 3.28Å; T325-L399 HydrophobicContact CG2-CD1 4.35Å |
| 326 | M | 96.5 | Very high | 91 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.015 | 10% | 0.099 | C | C | . | . | trans | -127.8 | 69.4 | 169.5 | -177 | 163.7 | 65.3 | 0 | 0 | 107 | Y366 Y378 S379 I382 L398 L399 I400 G401 I417 | M326-Y366 HydrophobicContact CG-CD1 4.28Å; M326-Y366 HydrophobicContact CG-CE1 3.91Å; M326-Y378 HydrophobicContact CG-CD1 4.34Å; M326-Y378 HydrophobicContact CG-CE1 4.05Å; M326-Y378 HydrophobicContact SD-CD1 4.32Å; M326-S379 PolarHBondContact SD-OG 3.26Å; M326-I382 HydrophobicContact CB-CD1 4.01Å; M326-I382 HydrophobicContact CG-CD1 4.1Å; M326-I382 HydrophobicContact SD-CD1 4.3Å; M326-L398 HydrophobicContact CB-CD1 4.28Å; M326-L399 PolarHBondContact N-O 2.87Å; M326-I400 HydrophobicContact CE-CB 4.44Å; M326-I400 HydrophobicContact CE-CD1 3.51Å; M326-I400 HydrophobicContact CE-CG1 3.67Å; M326-I400 HydrophobicContact CE-CG2 4.05Å; M326-G401 PolarHBondContact O-N 3.41Å; M326-I417 HydrophobicContact CE-CB 4.46Å; M326-I417 HydrophobicContact CE-CD1 3.91Å; M326-I417 HydrophobicContact CE-CG1 3.78Å; M326-I417 HydrophobicContact CE-CG2 3.86Å; M326-I417 HydrophobicContact SD-CG1 4.41Å | ||
| 327 | S | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 140.7 | -174.5 | -62.2 | 0 | 0 | 0 | 0 | 110.6 | E365 Y366 G401 | S327-E365 VanDerWaalsContact O-CA 3.24Å; S327-E365 WeakPolarHBondContact O-CA 3.38Å; S327-Y366 WeakPolarHBondContact O-CD1 3.24Å; S327-Y366 PolarHBondContact O-N 3.4Å; S327-G401 CarbonylContact C-O 3.49Å; S327-G401 WeakPolarHBondContact CA-O 3.24Å |
| 328 | A | 92.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 3% | 0.025 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y366 G401 R439 | A328-Y366 CarbonylContact C-O 3.59Å; A328-Y366 WeakPolarHBondContact CA-O 3.38Å; A328-Y366 HydrophobicContact CB-CD1 3.88Å; A328-Y366 HydrophobicContact CB-CD2 3.82Å; A328-Y366 HydrophobicContact CB-CE1 3.51Å; A328-Y366 HydrophobicContact CB-CE2 3.48Å; A328-Y366 VanDerWaalsContact CB-CE2 3.48Å; A328-Y366 HydrophobicContact CB-CG 4.02Å; A328-Y366 WeakPolarHBondContact CB-O 2.87Å; A328-G401 PolarHBondContact N-O 3.47Å; A328-R439 VanDerWaalsContact CA-NH1 3.29Å; A328-R439 VanDerWaalsContact CB-NH2 3.32Å; A328-R439 PolarHBondContact O-NH1 3.42Å; A328-R439 PolarHBondContact O-NH2 2.94Å |
| 329 | G | 85.6 | Confident | 91.9 | Very high | 13 Ų | 13 | 11.8 Ų | 11.8 | 13% | 0.134 | 7% | 0.072 | C | C | . | . | S | Bend | trans | 100.2 | 130.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | A332 S333 Y366 | G329-A332 PolarHBondContact O-N 3.2Å; G329-S333 PolarHBondContact O-N 3.25Å; G329-S333 PolarHBondContact O-OG 2.89Å; G329-Y366 PolarHBondContact N-O 2.77Å |
| 330 | G | 83.8 | Confident | 92.3 | Very high | 5 Ų | 5 | 8.4 Ų | 8.4 | 5% | 0.052 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -47.4 | -64.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A332 S333 V334 E365 | G330-A332 VanDerWaalsContact C-N 3.31Å; G330-A332 PolarHBondContact O-N 2.93Å; G330-S333 PolarHBondContact O-N 3.37Å; G330-S333 PolarHBondContact O-OG 3.28Å; G330-V334 WeakPolarHBondContact O-CG2 3.41Å; G330-V334 PolarHBondContact O-N 3.49Å; G330-E365 PolarHBondContact N-OE2 2.76Å |
| 331 | G | 87.6 | Confident | 92.5 | Very high | 0 Ų | 0 | 2.4 Ų | 2.4 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -60.2 | -35.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V334 I335 | G331-V334 PolarHBondContact O-N 2.71Å; G331-I335 WeakPolarHBondContact O-CG1 3.49Å; G331-I335 PolarHBondContact O-N 2.63Å |
| 332 | A | 92.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 3.9 Ų | 3.9 | 2% | 0.017 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -67 | -44.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | G329 G330 V334 I335 Y336 M471 M762 | G329-A332 PolarHBondContact O-N 3.2Å; G330-A332 VanDerWaalsContact C-N 3.31Å; G330-A332 PolarHBondContact O-N 2.93Å; A332-V334 PolarHBondContact O-N 2.79Å; A332-I335 PolarHBondContact O-N 2.79Å; A332-I335 VanDerWaalsContact O-N 3.12Å; A332-Y336 VanDerWaalsContact O-CD2 3.28Å; A332-Y336 WeakPolarHBondContact O-CD2 3.48Å; A332-Y336 PolarHBondContact O-N 3.42Å; A332-M471 HydrophobicContact CB-SD 4.2Å; A332-M762 HydrophobicContact CB-SD 3.99Å |
| 333 | S | 92.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 4.3 Ų | 4.3 | 1% | 0.014 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -57.1 | -38.3 | 177.6 | 70.9 | 0 | 0 | 0 | 0 | 112.8 | G329 G330 Y336 A337 Y363 G364 | G329-S333 PolarHBondContact O-N 3.25Å; G329-S333 PolarHBondContact O-OG 2.89Å; G330-S333 PolarHBondContact O-N 3.37Å; G330-S333 PolarHBondContact O-OG 3.28Å; S333-Y336 PolarHBondContact O-N 3.29Å; S333-A337 PolarHBondContact O-N 3.22Å; S333-Y363 VanDerWaalsContact OG-CE2 3.31Å; S333-Y363 WeakPolarHBondContact OG-CE2 3.47Å; S333-Y363 PolarHBondContact OG-OH 3.05Å; S333-G364 WeakPolarHBondContact CB-O 3.49Å |
| 334 | V | 91.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -64.3 | -47.4 | 175.8 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | G330 G331 A332 Y336 A337 D338 Y363 I841 G842 F870 | G330-V334 WeakPolarHBondContact O-CG2 3.41Å; G330-V334 PolarHBondContact O-N 3.49Å; G331-V334 PolarHBondContact O-N 2.71Å; A332-V334 PolarHBondContact O-N 2.79Å; V334-Y336 PolarHBondContact O-N 2.81Å; V334-A337 WeakPolarHBondContact O-CB 3.29Å; V334-A337 PolarHBondContact O-N 3.43Å; V334-A337 VanDerWaalsContact O-N 3.1Å; V334-D338 PolarHBondContact O-N 3.12Å; V334-Y363 HydrophobicContact CG2-CE2 4.18Å; V334-I841 HydrophobicContact CB-CD1 4.18Å; V334-I841 HydrophobicContact CB-CG1 4.5Å; V334-I841 HydrophobicContact CG1-CB 4.18Å; V334-I841 HydrophobicContact CG1-CD1 4.27Å; V334-I841 HydrophobicContact CG1-CG1 4.04Å; V334-G842 VanDerWaalsContact CG1-CA 3.41Å; V334-F870 HydrophobicContact CG2-CB 3.85Å; V334-F870 HydrophobicContact CG2-CD1 3.77Å; V334-F870 HydrophobicContact CG2-CE1 4.48Å; V334-F870 HydrophobicContact CG2-CG 3.88Å |
| 335 | I | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -62.4 | -41.2 | 178 | -66.7 | 162.5 | 0 | 0 | 0 | 111.7 | G331 A332 A337 D338 T339 M471 T472 M762 I841 F902 | G331-I335 WeakPolarHBondContact O-CG1 3.49Å; G331-I335 PolarHBondContact O-N 2.63Å; A332-I335 PolarHBondContact O-N 2.79Å; A332-I335 VanDerWaalsContact O-N 3.12Å; I335-A337 VanDerWaalsContact C-N 3.3Å; I335-A337 PolarHBondContact O-N 2.97Å; I335-D338 PolarHBondContact O-N 2.88Å; I335-T339 PolarHBondContact O-N 3.49Å; I335-T339 PolarHBondContact O-OG1 3.35Å; I335-M471 HydrophobicContact CB-CE 3.77Å; I335-M471 HydrophobicContact CD1-CE 3.77Å; I335-M471 HydrophobicContact CG1-CE 4.4Å; I335-M471 HydrophobicContact CG2-CE 3.4Å; I335-M471 VanDerWaalsContact CG2-CE 3.4Å; I335-T472 HydrophobicContact CG2-CG2 3.52Å; I335-M762 HydrophobicContact CD1-CE 3.24Å; I335-M762 HydrophobicContact CD1-CG 3.98Å; I335-M762 HydrophobicContact CD1-SD 3.55Å; I335-M762 VanDerWaalsContact CD1-SD 3.55Å; I335-I841 HydrophobicContact CD1-CG2 3.87Å; I335-I841 HydrophobicContact CG1-CB 4.02Å; I335-I841 HydrophobicContact CG1-CD1 4.31Å; I335-I841 HydrophobicContact CG1-CG2 3.54Å; I335-F902 HydrophobicContact CD1-CD1 4.38Å; I335-F902 HydrophobicContact CD1-CD2 3.87Å; I335-F902 HydrophobicContact CD1-CE1 4.28Å; I335-F902 HydrophobicContact CD1-CE2 3.74Å; I335-F902 HydrophobicContact CD1-CG 4.19Å; I335-F902 HydrophobicContact CD1-CZ 3.97Å; I335-F902 HydrophobicContact CG1-CD2 4.3Å; I335-F902 HydrophobicContact CG1-CG 4.35Å; I335-F902 HydrophobicContact CG2-CB 3.98Å; I335-F902 HydrophobicContact CG2-CD1 3.56Å; I335-F902 HydrophobicContact CG2-CD2 4.47Å; I335-F902 HydrophobicContact CG2-CE1 4.19Å; I335-F902 HydrophobicContact CG2-CG 3.73Å |
| 336 | Y | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 173.9 | -86.3 | -86.1 | 0 | 0 | 0 | 111.8 | A332 S333 V334 V340 G401 G402 M471 I474 V475 | A332-Y336 VanDerWaalsContact O-CD2 3.28Å; A332-Y336 WeakPolarHBondContact O-CD2 3.48Å; A332-Y336 PolarHBondContact O-N 3.42Å; S333-Y336 PolarHBondContact O-N 3.29Å; V334-Y336 PolarHBondContact O-N 2.81Å; Y336-V340 WeakPolarHBondContact O-CB 3.4Å; Y336-V340 WeakPolarHBondContact O-CG2 3.26Å; Y336-V340 PolarHBondContact O-N 3.06Å; Y336-G401 WeakPolarHBondContact OH-CA 3.5Å; Y336-G402 VanDerWaalsContact CE2-CA 3.43Å; Y336-G402 PolarHBondContact OH-N 2.81Å; Y336-G402 VanDerWaalsContact OH-N 3.12Å; Y336-M471 HydrophobicContact CE2-CE 4.44Å; Y336-M471 HydrophobicContact CE2-CG 3.67Å; Y336-M471 HydrophobicContact CE2-SD 4.13Å; Y336-M471 PolarHBondContact OH-O 2.88Å; Y336-I474 HydrophobicContact CE1-CD1 3.74Å; Y336-I474 HydrophobicContact CE1-CG1 3.8Å; Y336-V475 HydrophobicContact CD1-CG2 3.65Å; Y336-V475 HydrophobicContact CE1-CG2 3.94Å |
| 337 | A | 92.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 2% | 0.017 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66.9 | -42.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | S333 V334 I335 V340 C341 L360 Y363 | S333-A337 PolarHBondContact O-N 3.22Å; V334-A337 WeakPolarHBondContact O-CB 3.29Å; V334-A337 PolarHBondContact O-N 3.43Å; V334-A337 VanDerWaalsContact O-N 3.1Å; I335-A337 VanDerWaalsContact C-N 3.3Å; I335-A337 PolarHBondContact O-N 2.97Å; A337-V340 PolarHBondContact O-N 3.5Å; A337-C341 WeakPolarHBondContact O-CB 3.29Å; A337-C341 PolarHBondContact O-N 3.38Å; A337-C341 PolarHBondContact O-SG 3.16Å; A337-L360 HydrophobicContact CB-CD2 4.17Å; A337-Y363 HydrophobicContact CB-CD2 4.34Å |
| 338 | D | 92.7 | Very high | 91.1 | Very high | 3 Ų | 3 | 18.2 Ų | 18.2 | 2% | 0.016 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -54.4 | -57.7 | 172.1 | -71 | -10.2 | 0 | 0 | 0 | 110.4 | V334 I335 V340 C341 E342 G842 S843 C844 | V334-D338 PolarHBondContact O-N 3.12Å; I335-D338 PolarHBondContact O-N 2.88Å; D338-V340 VanDerWaalsContact C-N 3.33Å; D338-V340 PolarHBondContact O-N 2.82Å; D338-C341 PolarHBondContact O-N 3.45Å; D338-E342 WeakPolarHBondContact O-CB 3.38Å; D338-E342 VanDerWaalsContact O-CG 3.3Å; D338-E342 WeakPolarHBondContact O-CG 3.37Å; D338-E342 PolarHBondContact O-N 2.76Å; D338-G842 VanDerWaalsContact OD1-C 3.31Å; D338-G842 WeakPolarHBondContact OD1-CA 3.38Å; D338-G842 WeakPolarHBondContact OD2-CA 3.38Å; D338-G842 PolarHBondContact OD2-N 3.12Å; D338-S843 WeakPolarHBondContact CB-OG 3.27Å; D338-S843 PolarHBondContact OD1-N 3.13Å; D338-S843 PolarHBondContact OD1-OG 3.12Å; D338-S843 PolarHBondContact OD2-N 2.91Å; D338-C844 WeakPolarHBondContact OD1-CB 3.35Å; D338-C844 PolarHBondContact OD1-N 2.88Å; D338-C844 PolarHBondContact OD1-SG 3.36Å |
| 339 | T | 93.3 | Very high | 91 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 2% | 0.018 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.7 | -40.9 | -178.9 | -51.2 | 0 | 0 | 0 | 0 | 111.9 | I335 L343 T472 V475 | I335-T339 PolarHBondContact O-N 3.49Å; I335-T339 PolarHBondContact O-OG1 3.35Å; T339-L343 HydrophobicContact CG2-CD1 3.74Å; T339-L343 HydrophobicContact CG2-CG 4.09Å; T339-L343 VanDerWaalsContact O-CB 3.29Å; T339-L343 WeakPolarHBondContact O-CB 3.2Å; T339-L343 VanDerWaalsContact O-CG 3.25Å; T339-L343 WeakPolarHBondContact O-CG 3.45Å; T339-L343 PolarHBondContact O-N 2.99Å; T339-T472 HydrophobicContact CG2-CG2 4.44Å; T339-T472 VanDerWaalsContact OG1-CG2 3.28Å; T339-T472 WeakPolarHBondContact OG1-CG2 3.23Å; T339-V475 HydrophobicContact CG2-CB 3.84Å; T339-V475 HydrophobicContact CG2-CG1 3.91Å; T339-V475 HydrophobicContact CG2-CG2 4.12Å |
| 340 | V | 93.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.5 | -46.9 | 177.3 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | I323 Y336 A337 D338 A344 L360 L399 V475 F479 | I323-V340 HydrophobicContact CB-CG1 4.35Å; I323-V340 HydrophobicContact CD1-CG1 3.98Å; I323-V340 HydrophobicContact CG2-CG1 4.04Å; I323-V340 HydrophobicContact CG2-CG2 4.12Å; Y336-V340 WeakPolarHBondContact O-CB 3.4Å; Y336-V340 WeakPolarHBondContact O-CG2 3.26Å; Y336-V340 PolarHBondContact O-N 3.06Å; A337-V340 PolarHBondContact O-N 3.5Å; D338-V340 VanDerWaalsContact C-N 3.33Å; D338-V340 PolarHBondContact O-N 2.82Å; V340-A344 WeakPolarHBondContact O-CB 3.42Å; V340-A344 PolarHBondContact O-N 3.45Å; V340-L360 HydrophobicContact CB-CD1 4.39Å; V340-L360 HydrophobicContact CG1-CB 4.08Å; V340-L360 HydrophobicContact CG1-CD1 3.95Å; V340-L360 HydrophobicContact CG1-CG 4.48Å; V340-L399 HydrophobicContact CG2-CD1 3.74Å; V340-V475 HydrophobicContact CB-CG1 4.38Å; V340-V475 HydrophobicContact CG2-CG1 3.57Å; V340-V475 HydrophobicContact CG2-CG2 4.46Å; V340-F479 HydrophobicContact CG1-CE2 4.46Å; V340-F479 HydrophobicContact CG1-CZ 4.39Å |
| 341 | C | 92.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.4 | -46.2 | -179 | -68.6 | 0 | 0 | 0 | 0 | 111.7 | A337 D338 A344 E345 V357 C844 L847 | A337-C341 WeakPolarHBondContact O-CB 3.29Å; A337-C341 PolarHBondContact O-N 3.38Å; A337-C341 PolarHBondContact O-SG 3.16Å; D338-C341 PolarHBondContact O-N 3.45Å; C341-A344 PolarHBondContact O-N 3.22Å; C341-E345 PolarHBondContact O-N 3.37Å; C341-V357 HydrophobicContact CB-CG1 3.85Å; C341-C844 HydrophobicContact CB-CB 3.92Å; C341-L847 HydrophobicContact CB-CD1 3.96Å |
| 342 | E | 89.8 | Confident | 91.1 | Very high | 33 Ų | 33 | 31 Ų | 31 | 15% | 0.154 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.5 | -47.8 | 179 | -72.1 | 172.3 | -170 | 0 | 0 | 111.6 | D338 K346 S843 S901 | D338-E342 WeakPolarHBondContact O-CB 3.38Å; D338-E342 VanDerWaalsContact O-CG 3.3Å; D338-E342 WeakPolarHBondContact O-CG 3.37Å; D338-E342 PolarHBondContact O-N 2.76Å; E342-K346 WeakPolarHBondContact O-CG 3.49Å; E342-K346 PolarHBondContact O-N 3.49Å; E342-S843 PolarHBondContact OE1-OG 2.72Å; E342-S901 WeakPolarHBondContact OE2-CB 3.36Å |
| 343 | L | 91.7 | Very high | 90.7 | Very high | 17 Ų | 17 | 35.8 Ų | 35.8 | 9% | 0.089 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.4 | -35.6 | 178.7 | -65.5 | -176.3 | 0 | 0 | 0 | 112.4 | T339 K346 V347 V475 S476 F479 L481 | T339-L343 HydrophobicContact CG2-CD1 3.74Å; T339-L343 HydrophobicContact CG2-CG 4.09Å; T339-L343 VanDerWaalsContact O-CB 3.29Å; T339-L343 WeakPolarHBondContact O-CB 3.2Å; T339-L343 VanDerWaalsContact O-CG 3.25Å; T339-L343 WeakPolarHBondContact O-CG 3.45Å; T339-L343 PolarHBondContact O-N 2.99Å; L343-K346 HydrophobicContact CD2-CD 4.37Å; L343-K346 PolarHBondContact O-N 3.33Å; L343-V347 WeakPolarHBondContact O-CB 3.45Å; L343-V347 VanDerWaalsContact O-CG2 3.23Å; L343-V347 WeakPolarHBondContact O-CG2 3.34Å; L343-V347 PolarHBondContact O-N 2.88Å; L343-V475 HydrophobicContact CD1-CB 4.36Å; L343-V475 HydrophobicContact CD1-CG1 4.01Å; L343-S476 WeakPolarHBondContact CD1-OG 3.12Å; L343-F479 HydrophobicContact CB-CD2 3.92Å; L343-F479 HydrophobicContact CB-CE2 3.91Å; L343-F479 HydrophobicContact CD1-CD2 4.29Å; L343-L481 HydrophobicContact CB-CD1 4.33Å; L343-L481 HydrophobicContact CD1-CD1 4.28Å; L343-L481 HydrophobicContact CD2-CD1 3.89Å; L343-L481 HydrophobicContact CG-CD1 4.4Å |
| 344 | A | 91.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V340 C341 V347 K348 S354 G356 F479 | V340-A344 WeakPolarHBondContact O-CB 3.42Å; V340-A344 PolarHBondContact O-N 3.45Å; C341-A344 PolarHBondContact O-N 3.22Å; A344-V347 PolarHBondContact O-N 3.25Å; A344-K348 VanDerWaalsContact O-CB 3.29Å; A344-K348 WeakPolarHBondContact O-CB 3.39Å; A344-K348 PolarHBondContact O-N 3.34Å; A344-S354 WeakPolarHBondContact CA-OG 3.39Å; A344-S354 WeakPolarHBondContact CB-OG 3.48Å; A344-S354 PolarHBondContact O-OG 3.05Å; A344-G356 WeakPolarHBondContact CB-O 3.25Å; A344-F479 HydrophobicContact CB-CE1 4.19Å; A344-F479 HydrophobicContact CB-CZ 3.83Å |
| 345 | E | 89.8 | Confident | 90 | Very high | 61 Ų | 61 | 41.2 Ų | 41.2 | 29% | 0.285 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 175.9 | -69.9 | -58.5 | 151.4 | 0 | 0 | 111.8 | C341 K348 A349 G356 V357 | C341-E345 PolarHBondContact O-N 3.37Å; E345-K348 PolarHBondContact O-N 2.7Å; E345-K348 IonicContact OE2-NZ 2.61Å; E345-A349 VanDerWaalsContact O-CB 3.25Å; E345-A349 WeakPolarHBondContact O-CB 3.41Å; E345-A349 PolarHBondContact O-N 3.11Å; E345-G356 VanDerWaalsContact OE1-CA 3.23Å; E345-G356 WeakPolarHBondContact OE1-CA 3.31Å; E345-V357 HydrophobicContact CG-CG1 4.04Å; E345-V357 PolarHBondContact OE1-N 3.15Å |
| 346 | K | 88.9 | Confident | 89.7 | Confident | 116 Ų | 116 | 41.2 Ų | 41.2 | 50% | 0.504 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 174.1 | -75.2 | 178.1 | -178.9 | 179.2 | 0 | 112.1 | E342 L343 A349 A350 | E342-K346 WeakPolarHBondContact O-CG 3.49Å; E342-K346 PolarHBondContact O-N 3.49Å; L343-K346 HydrophobicContact CD2-CD 4.37Å; L343-K346 PolarHBondContact O-N 3.33Å; K346-A349 PolarHBondContact O-N 2.98Å; K346-A350 WeakPolarHBondContact O-CB 3.45Å; K346-A350 PolarHBondContact O-N 2.88Å |
| 347 | V | 90.5 | Very high | 89.4 | Confident | 17 Ų | 17 | 41.6 Ų | 41.6 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.5 | -43 | 178.3 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | L343 A344 A350 G351 G352 F479 L481 | L343-V347 WeakPolarHBondContact O-CB 3.45Å; L343-V347 VanDerWaalsContact O-CG2 3.23Å; L343-V347 WeakPolarHBondContact O-CG2 3.34Å; L343-V347 PolarHBondContact O-N 2.88Å; A344-V347 PolarHBondContact O-N 3.25Å; V347-A350 CarbonylContact O-C 3.6Å; V347-A350 PolarHBondContact O-N 2.83Å; V347-G351 PolarHBondContact O-N 3.4Å; V347-G352 WeakPolarHBondContact O-CA 3.44Å; V347-G352 PolarHBondContact O-N 2.95Å; V347-F479 HydrophobicContact CG2-CB 4.38Å; V347-F479 HydrophobicContact CG2-CD1 4.05Å; V347-F479 HydrophobicContact CG2-CG 4.4Å; V347-L481 HydrophobicContact CG2-CD1 3.93Å; V347-L481 HydrophobicContact CG2-CD2 4.06Å; V347-L481 HydrophobicContact CG2-CG 4.22Å |
| 348 | K | 90.4 | Very high | 89.1 | Confident | 104 Ų | 104 | 46.8 Ų | 46.8 | 45% | 0.452 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 175.2 | 179.5 | -173.4 | 178.1 | -178.2 | 0 | 111.6 | A344 E345 A350 G351 S354 | A344-K348 VanDerWaalsContact O-CB 3.29Å; A344-K348 WeakPolarHBondContact O-CB 3.39Å; A344-K348 PolarHBondContact O-N 3.34Å; E345-K348 PolarHBondContact O-N 2.7Å; E345-K348 IonicContact OE2-NZ 2.61Å; K348-A350 PolarHBondContact O-N 3.27Å; K348-G351 PolarHBondContact O-N 3.49Å; K348-S354 WeakPolarHBondContact CB-O 3.32Å |
| 349 | A | 89.8 | Confident | 89 | Confident | 91 Ų | 91 | 46.8 Ų | 46.8 | 75% | 0.752 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.1 | -32 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E345 K346 G351 | E345-A349 VanDerWaalsContact O-CB 3.25Å; E345-A349 WeakPolarHBondContact O-CB 3.41Å; E345-A349 PolarHBondContact O-N 3.11Å; K346-A349 PolarHBondContact O-N 2.98Å; A349-G351 PolarHBondContact O-N 3.14Å |
| 350 | A | 90.7 | Very high | 89 | Confident | 90 Ų | 90 | 46.7 Ų | 46.7 | 74% | 0.744 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 3.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K346 V347 K348 | K346-A350 WeakPolarHBondContact O-CB 3.45Å; K346-A350 PolarHBondContact O-N 2.88Å; V347-A350 CarbonylContact O-C 3.6Å; V347-A350 PolarHBondContact O-N 2.83Å; K348-A350 PolarHBondContact O-N 3.27Å |
| 351 | G | 85.9 | Confident | 89 | Confident | 70 Ų | 70 | 46.7 Ų | 46.7 | 72% | 0.722 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 17.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V347 K348 A349 | V347-G351 PolarHBondContact O-N 3.4Å; K348-G351 PolarHBondContact O-N 3.49Å; A349-G351 PolarHBondContact O-N 3.14Å |
| 352 | G | 83.3 | Confident | 89 | Confident | 39 Ų | 39 | 46.7 Ų | 46.7 | 40% | 0.402 | 28% | 0.278 | S | S | . | . | trans | -76.2 | 179.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V347 S354 | V347-G352 WeakPolarHBondContact O-CA 3.44Å; V347-G352 PolarHBondContact O-N 2.95Å; G352-S354 PolarHBondContact O-N 3.31Å; G352-S354 VanDerWaalsContact O-N 3.17Å | ||
| 353 | I | 84.2 | Confident | 89 | Confident | 103 Ų | 103 | 45.3 Ų | 45.3 | 53% | 0.528 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -69.6 | -9.2 | -175.3 | 62.3 | 169.3 | 0 | 0 | 0 | 114.9 | D394 | I353-D394 HydrophobicContact CD1-CB 4.1Š|
| 354 | S | 86 | Confident | 88.9 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | trans | -71.7 | 138.7 | -175 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | A344 K348 G352 G356 D359 | A344-S354 WeakPolarHBondContact CA-OG 3.39Å; A344-S354 WeakPolarHBondContact CB-OG 3.48Å; A344-S354 PolarHBondContact O-OG 3.05Å; K348-S354 WeakPolarHBondContact CB-O 3.32Å; G352-S354 PolarHBondContact O-N 3.31Å; G352-S354 VanDerWaalsContact O-N 3.17Å; S354-G356 PolarHBondContact O-N 2.85Å; S354-G356 PolarHBondContact OG-N 3.35Å; S354-D359 VanDerWaalsContact CA-OD2 3.28Å; S354-D359 WeakPolarHBondContact CA-OD2 3.31Å; S354-D359 VanDerWaalsContact CB-OD2 3.28Å; S354-D359 WeakPolarHBondContact CB-OD2 3.4Å; S354-D359 VanDerWaalsContact OG-CG 3.3Å; S354-D359 PolarHBondContact OG-OD2 2.84Å | ||
| 355 | Q | 83.8 | Confident | 88.9 | Confident | 110 Ų | 110 | 44.6 Ų | 44.6 | 51% | 0.514 | 27% | 0.268 | S | S | . | . | trans | -87.3 | 13.1 | 172.9 | -58.5 | -171.3 | 4.4 | 0 | 0 | 112.7 | K358 D359 | Q355-K358 HydrophobicContact CB-CB 4.23Å; Q355-D359 WeakPolarHBondContact CB-OD1 3.04Å; Q355-D359 PolarHBondContact N-OD1 2.78Å | ||
| 356 | G | 87.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | 79 | -147.9 | -175 | 0 | 0 | 0 | 0 | 0 | 110.2 | A344 E345 S354 K358 D359 | A344-G356 WeakPolarHBondContact CB-O 3.25Å; E345-G356 VanDerWaalsContact OE1-CA 3.23Å; E345-G356 WeakPolarHBondContact OE1-CA 3.31Å; S354-G356 PolarHBondContact O-N 2.85Å; S354-G356 PolarHBondContact OG-N 3.35Å; G356-K358 PolarHBondContact O-N 3.25Å; G356-D359 WeakPolarHBondContact O-CB 3.48Å; G356-D359 PolarHBondContact O-N 3.32Å |
| 357 | V | 87.5 | Confident | 89.1 | Confident | 8 Ų | 8 | 37.3 Ų | 37.3 | 5% | 0.048 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -57.9 | -18 | -177.7 | -61 | 0 | 0 | 0 | 0 | 115.1 | C341 E345 D359 L360 L847 L848 A851 | C341-V357 HydrophobicContact CB-CG1 3.85Å; E345-V357 HydrophobicContact CG-CG1 4.04Å; E345-V357 PolarHBondContact OE1-N 3.15Å; V357-D359 PolarHBondContact O-N 2.97Å; V357-L360 PolarHBondContact O-N 2.84Å; V357-L847 HydrophobicContact CG1-CB 3.85Å; V357-L847 HydrophobicContact CG1-CD1 4.46Å; V357-L848 HydrophobicContact CB-CD2 4.15Å; V357-A851 HydrophobicContact CG2-CB 3.2Å |
| 358 | K | 87.3 | Confident | 88.7 | Confident | 110 Ų | 110 | 37.9 Ų | 37.9 | 48% | 0.478 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -62.8 | -18.7 | 172.5 | -67.2 | -174.3 | -179.8 | -179.7 | 0 | 113.2 | N318 Q355 G356 L360 | N318-K358 PolarHBondContact ND2-O 3.15Å; Q355-K358 HydrophobicContact CB-CB 4.23Å; G356-K358 PolarHBondContact O-N 3.25Å; K358-L360 VanDerWaalsContact C-N 3.27Å; K358-L360 PolarHBondContact O-N 2.64Å |
| 359 | D | 90.8 | Very high | 88.6 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -66.9 | -29 | 175.7 | -81.4 | 7.7 | 0 | 0 | 0 | 112.4 | G321 R322 I323 S354 Q355 G356 V357 A361 | G321-D359 CarbonylContact C-O 3.56Å; G321-D359 WeakPolarHBondContact CA-O 3.46Å; R322-D359 HydrophobicContact CG-CB 4.05Å; R322-D359 PolarHBondContact N-O 2.88Å; I323-D359 HydrophobicContact CD1-CB 4.18Å; I323-D359 HydrophobicContact CG1-CB 4.26Å; I323-D359 PolarHBondContact N-O 3.04Å; S354-D359 VanDerWaalsContact CA-OD2 3.28Å; S354-D359 WeakPolarHBondContact CA-OD2 3.31Å; S354-D359 VanDerWaalsContact CB-OD2 3.28Å; S354-D359 WeakPolarHBondContact CB-OD2 3.4Å; S354-D359 VanDerWaalsContact OG-CG 3.3Å; S354-D359 PolarHBondContact OG-OD2 2.84Å; Q355-D359 WeakPolarHBondContact CB-OD1 3.04Å; Q355-D359 PolarHBondContact N-OD1 2.78Å; G356-D359 WeakPolarHBondContact O-CB 3.48Å; G356-D359 PolarHBondContact O-N 3.32Å; V357-D359 PolarHBondContact O-N 2.97Å; D359-A361 PolarHBondContact O-N 3.27Å |
| 360 | L | 93.6 | Very high | 88.7 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -75.9 | 116.1 | 179.9 | -178.2 | 64.6 | 0 | 0 | 0 | 110.2 | L317 T325 A337 V340 V357 K358 N362 | L317-L360 HydrophobicContact CD1-CD2 3.67Å; L317-L360 HydrophobicContact CD1-CG 3.96Å; T325-L360 HydrophobicContact CG2-CD1 3.88Å; A337-L360 HydrophobicContact CB-CD2 4.17Å; V340-L360 HydrophobicContact CB-CD1 4.39Å; V340-L360 HydrophobicContact CG1-CB 4.08Å; V340-L360 HydrophobicContact CG1-CD1 3.95Å; V340-L360 HydrophobicContact CG1-CG 4.48Å; V357-L360 PolarHBondContact O-N 2.84Å; K358-L360 VanDerWaalsContact C-N 3.27Å; K358-L360 PolarHBondContact O-N 2.64Å; L360-N362 WeakPolarHBondContact CD1-O 3.5Å |
| 361 | A | 92.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -84.7 | -37.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L317 N318 I323 W324 D359 | L317-A361 PolarHBondContact N-O 3.04Å; N318-A361 PolarHBondContact N-O 3.38Å; N318-A361 WeakPolarHBondContact O-CA 3.38Å; N318-A361 WeakPolarHBondContact O-CB 3.3Å; I323-A361 WeakPolarHBondContact O-CB 3.02Å; I323-A361 PolarHBondContact O-N 3.03Å; W324-A361 HydrophobicContact CD2-CB 3.52Å; W324-A361 HydrophobicContact CE3-CB 4.07Å; W324-A361 HydrophobicContact CG-CB 3.88Å; W324-A361 HydrophobicContact CH2-CB 4.11Å; W324-A361 HydrophobicContact CZ2-CB 3.58Å; W324-A361 HydrophobicContact CZ3-CB 4.35Å; D359-A361 PolarHBondContact O-N 3.27Å | ||
| 362 | N | 92.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 153.5 | -175.4 | 73.4 | -57.3 | 0 | 0 | 0 | 111.6 | L314 T315 W324 T325 L360 | L314-N362 HydrophobicContact CD1-CB 4.15Å; T315-N362 CarbonylContact O-C 3.49Å; T315-N362 VanDerWaalsContact O-CA 3.32Å; T315-N362 WeakPolarHBondContact O-CA 3.24Å; W324-N362 WeakPolarHBondContact CA-OD1 3.45Å; W324-N362 HydrophobicContact CE3-CB 4.09Å; W324-N362 HydrophobicContact CZ3-CB 4.03Å; T325-N362 PolarHBondContact N-OD1 2.85Å; T325-N362 PolarHBondContact O-ND2 2.9Å; T325-N362 PolarHBondContact OG1-O 3.28Å; L360-N362 WeakPolarHBondContact CD1-O 3.5Å |
| 363 | Y | 90.3 | Very high | 89.6 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 2% | 0.02 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 134.9 | 157.8 | 171.2 | -102.4 | 0 | 0 | 0 | 107.9 | T315 S333 V334 A337 F870 G871 | T315-Y363 PolarHBondContact N-O 3.33Å; T315-Y363 PolarHBondContact O-N 2.72Å; T315-Y363 VanDerWaalsContact O-O 3.08Å; S333-Y363 VanDerWaalsContact OG-CE2 3.31Å; S333-Y363 WeakPolarHBondContact OG-CE2 3.47Å; S333-Y363 PolarHBondContact OG-OH 3.05Å; V334-Y363 HydrophobicContact CG2-CE2 4.18Å; A337-Y363 HydrophobicContact CB-CD2 4.34Å; Y363-F870 HydrophobicContact CD1-CD1 4.35Å; Y363-F870 HydrophobicContact CD2-CD1 4.04Å; Y363-F870 HydrophobicContact CD2-CE1 4.29Å; Y363-F870 HydrophobicContact CE1-CB 4.32Å; Y363-F870 AromaticContact CE1-CD1 3.92Å; Y363-F870 HydrophobicContact CE1-CD1 3.92Å; Y363-F870 AromaticContact CE2-CD1 3.6Å; Y363-F870 HydrophobicContact CE2-CD1 3.6Å; Y363-F870 HydrophobicContact CE2-CE1 4.21Å; Y363-F870 HydrophobicContact CG-CD1 4.41Å; Y363-F870 AromaticContact CZ-CD1 3.55Å; Y363-G871 PolarHBondContact OH-N 3.25Å |
| 364 | G | 88.8 | Confident | 90.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.6 | 158.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K313 S333 | K313-G364 CarbonylContact O-C 3.5Å; K313-G364 WeakPolarHBondContact O-CA 3.23Å; S333-G364 WeakPolarHBondContact CB-O 3.49Å |
| 365 | E | 92.5 | Very high | 90.6 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 151.6 | 178.4 | 72.8 | 85.8 | -151.6 | 0 | 0 | 112.4 | S311 K313 S327 G330 S367 Y378 | S311-E365 WeakPolarHBondContact CB-OE1 3.28Å; S311-E365 PolarHBondContact OG-OE1 3.33Å; K313-E365 HydrophobicContact CB-CG 4.2Å; K313-E365 HydrophobicContact CG-CG 4.14Å; K313-E365 PolarHBondContact N-O 3.12Å; K313-E365 PolarHBondContact O-N 3.44Å; S327-E365 VanDerWaalsContact O-CA 3.24Å; S327-E365 WeakPolarHBondContact O-CA 3.38Å; G330-E365 PolarHBondContact N-OE2 2.76Å; E365-S367 WeakPolarHBondContact OE2-CB 3.27Å; E365-S367 PolarHBondContact OE2-N 2.75Å; E365-S367 PolarHBondContact OE2-OG 2.88Å; E365-Y378 PolarHBondContact N-OH 2.88Å |
| 366 | Y | 93.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 130.7 | 165.1 | 69 | -81.6 | 0 | 0 | 0 | 110.2 | S311 M326 S327 A328 G329 P370 T375 Y378 T413 | S311-Y366 CarbonylContact O-C 3.57Å; S311-Y366 VanDerWaalsContact O-CA 3.31Å; S311-Y366 WeakPolarHBondContact O-CA 3.32Å; M326-Y366 HydrophobicContact CG-CD1 4.28Å; M326-Y366 HydrophobicContact CG-CE1 3.91Å; S327-Y366 WeakPolarHBondContact O-CD1 3.24Å; S327-Y366 PolarHBondContact O-N 3.4Å; A328-Y366 CarbonylContact C-O 3.59Å; A328-Y366 WeakPolarHBondContact CA-O 3.38Å; A328-Y366 HydrophobicContact CB-CD1 3.88Å; A328-Y366 HydrophobicContact CB-CD2 3.82Å; A328-Y366 HydrophobicContact CB-CE1 3.51Å; A328-Y366 HydrophobicContact CB-CE2 3.48Å; A328-Y366 VanDerWaalsContact CB-CE2 3.48Å; A328-Y366 HydrophobicContact CB-CG 4.02Å; A328-Y366 WeakPolarHBondContact CB-O 2.87Å; G329-Y366 PolarHBondContact N-O 2.77Å; Y366-P370 HydrophobicContact CD2-CG 3.81Å; Y366-T375 HydrophobicContact CE2-CG2 4.28Å; Y366-Y378 HydrophobicContact CD1-CD1 4.46Å; Y366-Y378 HydrophobicContact CD1-CE1 4.24Å; Y366-T413 HydrophobicContact CE2-CG2 4.25Å |
| 367 | S | 89 | Confident | 91.7 | Very high | 22 Ų | 22 | 25.4 Ų | 25.4 | 15% | 0.154 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | -176.6 | -179.5 | 63.6 | 0 | 0 | 0 | 0 | 112.3 | A310 S311 E365 | A310-S367 WeakPolarHBondContact CA-O 3.08Å; A310-S367 VanDerWaalsContact CB-O 3.27Å; A310-S367 WeakPolarHBondContact CB-O 3.43Å; S311-S367 PolarHBondContact N-O 3.17Å; S311-S367 PolarHBondContact O-N 2.95Å; E365-S367 WeakPolarHBondContact OE2-CB 3.27Å; E365-S367 PolarHBondContact OE2-N 2.75Å; E365-S367 PolarHBondContact OE2-OG 2.88Å |
| 368 | G | 82.8 | Confident | 92.2 | Very high | 29 Ų | 29 | 25 Ų | 25 | 30% | 0.299 | 14% | 0.14 | S | C | . | . | S | Bend | trans | 72.7 | 28.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 369 | A | 87.7 | Confident | 92.7 | Very high | 44 Ų | 44 | 19.9 Ų | 19.9 | 36% | 0.364 | 12% | 0.118 | S | C | . | . | trans | 54.5 | 61.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | F407 T408 | A369-F407 HydrophobicContact CB-CD2 3.77Å; A369-F407 HydrophobicContact CB-CE2 3.92Å; A369-T408 PolarHBondContact N-OG1 3.48Å | ||
| 370 | P | 91.6 | Very high | 93 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 5% | 0.045 | 13% | 0.129 | C | C | . | . | trans | -62.3 | 151.8 | 174.3 | 27.5 | -31.8 | 0 | 0 | 0 | 111.1 | A310 L312 Y366 L374 T413 | A310-P370 HydrophobicContact CB-CB 4.02Å; L312-P370 HydrophobicContact CD2-CB 4.45Å; Y366-P370 HydrophobicContact CD2-CG 3.81Å; P370-L374 HydrophobicContact CB-CB 4.03Å; P370-L374 HydrophobicContact CB-CD1 4.44Å; P370-T413 HydrophobicContact CG-CG2 4.19Å | ||
| 371 | S | 92.3 | Very high | 93.1 | Very high | 57 Ų | 57 | 22.9 Ų | 22.9 | 40% | 0.399 | 13% | 0.131 | S | C | . | . | trans | -67.8 | 166.6 | 174.9 | 63.7 | 0 | 0 | 0 | 0 | 111.6 | E373 L374 T375 | S371-E373 PolarHBondContact O-N 3.36Å; S371-L374 PolarHBondContact O-N 3.3Å; S371-L374 WeakPolarHBondContact OG-CG 3.42Å; S371-L374 PolarHBondContact OG-N 2.93Å; S371-L374 VanDerWaalsContact OG-N 3.16Å; S371-T375 WeakPolarHBondContact O-CB 3.38Å; S371-T375 PolarHBondContact O-N 2.96Å; S371-T375 PolarHBondContact O-OG1 3.07Å | ||
| 372 | E | 94.2 | Very high | 93.3 | Very high | 68 Ų | 68 | 22.9 Ų | 22.9 | 32% | 0.318 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -52.2 | -45.2 | 170.3 | -177.5 | 172.1 | 160.8 | 0 | 0 | 111.2 | T375 Y376 K415 G416 | E372-T375 PolarHBondContact O-N 3.37Å; E372-Y376 PolarHBondContact O-N 3.01Å; E372-K415 VanDerWaalsContact CD-CB 3.48Å; E372-K415 HydrophobicContact CG-CB 3.96Å; E372-K415 WeakPolarHBondContact OE1-CB 3.39Å; E372-G416 WeakPolarHBondContact O-CA 3.44Å |
| 373 | E | 93.2 | Very high | 93.5 | Very high | 82 Ų | 82 | 23 Ų | 23 | 38% | 0.383 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -63.5 | -49.2 | 179.5 | -168.9 | 57.6 | -135.6 | 0 | 0 | 113.2 | S371 T375 Y376 E377 R419 | S371-E373 PolarHBondContact O-N 3.36Å; E373-T375 PolarHBondContact O-N 3.08Å; E373-Y376 WeakPolarHBondContact O-CB 3.28Å; E373-Y376 PolarHBondContact O-N 3.34Å; E373-Y376 VanDerWaalsContact O-N 3.16Å; E373-E377 PolarHBondContact O-N 2.98Å; E373-R419 IonicContact OE1-NH2 3.74Å; E373-R419 PolarHBondContact OE1-NH2 3.45Å; E373-R419 IonicContact OE2-CZ 2.91Å; E373-R419 IonicContact OE2-NH1 3.85Å; E373-R419 PolarHBondContact OE2-NH1 3.4Å; E373-R419 IonicContact OE2-NH2 2.71Å; E373-R419 PolarHBondContact OE2-NH2 2.94Å |
| 374 | L | 94.6 | Very high | 93.8 | Very high | 34 Ų | 34 | 25.2 Ų | 25.2 | 18% | 0.178 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.3 | -36.9 | 178 | -73.2 | 173.4 | 0 | 0 | 0 | 111.3 | L304 T308 L312 P370 S371 Y378 | L304-L374 HydrophobicContact CD2-CD2 4.41Å; T308-L374 HydrophobicContact CG2-CD1 4.06Å; T308-L374 WeakPolarHBondContact OG1-CD1 3.18Å; L312-L374 HydrophobicContact CD1-CB 4.48Å; L312-L374 HydrophobicContact CD1-CD2 4.27Å; P370-L374 HydrophobicContact CB-CB 4.03Å; P370-L374 HydrophobicContact CB-CD1 4.44Å; S371-L374 PolarHBondContact O-N 3.3Å; S371-L374 WeakPolarHBondContact OG-CG 3.42Å; S371-L374 PolarHBondContact OG-N 2.93Å; S371-L374 VanDerWaalsContact OG-N 3.16Å; L374-Y378 WeakPolarHBondContact O-CB 3.5Å; L374-Y378 PolarHBondContact O-N 3.13Å; L374-Y378 VanDerWaalsContact O-N 3.08Å |
| 375 | T | 96.6 | Very high | 94 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.8 | -40.8 | 176.7 | -45.9 | 0 | 0 | 0 | 0 | 110.8 | Y366 S371 E372 E373 Y378 S379 T413 I417 | Y366-T375 HydrophobicContact CE2-CG2 4.28Å; S371-T375 WeakPolarHBondContact O-CB 3.38Å; S371-T375 PolarHBondContact O-N 2.96Å; S371-T375 PolarHBondContact O-OG1 3.07Å; E372-T375 PolarHBondContact O-N 3.37Å; E373-T375 PolarHBondContact O-N 3.08Å; T375-Y378 PolarHBondContact O-N 3.13Å; T375-S379 WeakPolarHBondContact O-CB 3.41Å; T375-S379 PolarHBondContact O-N 3.18Å; T375-S379 PolarHBondContact O-OG 2.91Å; T375-T413 VanDerWaalsContact CG2-O 3.3Å; T375-T413 WeakPolarHBondContact CG2-O 3.33Å; T375-I417 HydrophobicContact CG2-CD1 4.23Å; T375-I417 HydrophobicContact CG2-CG1 3.87Å |
| 376 | Y | 97.3 | Very high | 94.1 | Very high | 20 Ų | 20 | 26.1 Ų | 26.1 | 8% | 0.078 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.9 | -50.3 | 173.9 | 164.7 | -98 | 0 | 0 | 0 | 112 | E372 E373 Y378 S379 K380 R419 A420 E423 | E372-Y376 PolarHBondContact O-N 3.01Å; E373-Y376 WeakPolarHBondContact O-CB 3.28Å; E373-Y376 PolarHBondContact O-N 3.34Å; E373-Y376 VanDerWaalsContact O-N 3.16Å; Y376-Y378 VanDerWaalsContact C-N 3.34Å; Y376-Y378 PolarHBondContact O-N 3.42Å; Y376-S379 PolarHBondContact O-N 3.21Å; Y376-K380 HydrophobicContact CE1-CD 4.04Å; Y376-K380 VanDerWaalsContact O-CB 3.24Å; Y376-K380 WeakPolarHBondContact O-CB 3.07Å; Y376-K380 PolarHBondContact O-N 2.98Å; Y376-K380 PolarHBondContact OH-NZ 2.71Å; Y376-K380 VanDerWaalsContact OH-NZ 3.12Å; Y376-R419 HydrophobicContact CD2-CB 3.91Å; Y376-R419 HydrophobicContact CD2-CG 3.91Å; Y376-R419 VanDerWaalsContact CD2-NE 3.26Å; Y376-R419 HydrophobicContact CE2-CB 4.38Å; Y376-R419 HydrophobicContact CE2-CG 3.98Å; Y376-A420 HydrophobicContact CD2-CB 3.83Å; Y376-A420 HydrophobicContact CE2-CB 4.14Å; Y376-E423 WeakPolarHBondContact CE2-OE2 3.47Å; Y376-E423 PolarHBondContact OH-OE2 2.95Å |
| 377 | E | 97 | Very high | 94.2 | Very high | 39 Ų | 39 | 27 Ų | 27 | 18% | 0.182 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.7 | -39.7 | -179.5 | -72.5 | -60.7 | 160.4 | 0 | 0 | 112.2 | Y300 L304 E373 T381 | Y300-E377 HydrophobicContact CE1-CB 4.36Å; Y300-E377 PolarHBondContact OH-OE2 3.02Å; L304-E377 HydrophobicContact CD1-CB 3.88Å; E373-E377 PolarHBondContact O-N 2.98Å; E377-T381 WeakPolarHBondContact O-CB 3.3Å; E377-T381 PolarHBondContact O-N 2.75Å; E377-T381 VanDerWaalsContact O-N 3.08Å; E377-T381 PolarHBondContact O-OG1 3.11Å |
| 378 | Y | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.4 | -48.1 | 173.6 | -173.8 | -88.3 | 0 | 0 | 0 | 111.7 | I301 L312 K313 M326 E365 Y366 L374 T375 Y376 T381 I382 | I301-Y378 HydrophobicContact CD1-CD2 3.83Å; I301-Y378 HydrophobicContact CD1-CG 4.47Å; I301-Y378 HydrophobicContact CG1-CD2 4.32Å; I301-Y378 HydrophobicContact CG2-CD2 4Å; I301-Y378 HydrophobicContact CG2-CE2 3.93Å; L312-Y378 HydrophobicContact CB-CD2 4.27Å; L312-Y378 HydrophobicContact CD2-CD2 4.07Å; L312-Y378 HydrophobicContact CD2-CG 4.43Å; K313-Y378 PolarHBondContact O-OH 3.07Å; M326-Y378 HydrophobicContact CG-CD1 4.34Å; M326-Y378 HydrophobicContact CG-CE1 4.05Å; M326-Y378 HydrophobicContact SD-CD1 4.32Å; E365-Y378 PolarHBondContact N-OH 2.88Å; Y366-Y378 HydrophobicContact CD1-CD1 4.46Å; Y366-Y378 HydrophobicContact CD1-CE1 4.24Å; L374-Y378 WeakPolarHBondContact O-CB 3.5Å; L374-Y378 PolarHBondContact O-N 3.13Å; L374-Y378 VanDerWaalsContact O-N 3.08Å; T375-Y378 PolarHBondContact O-N 3.13Å; Y376-Y378 VanDerWaalsContact C-N 3.34Å; Y376-Y378 PolarHBondContact O-N 3.42Å; Y378-T381 PolarHBondContact O-N 3.31Å; Y378-I382 HydrophobicContact CD1-CD1 3.97Å; Y378-I382 HydrophobicContact CE1-CD1 3.32Å; Y378-I382 HydrophobicContact CE1-CG1 4.3Å; Y378-I382 PolarHBondContact O-N 3.18Å |
| 379 | S | 97.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.7 | -47.5 | 177.4 | -64.3 | 0 | 0 | 0 | 0 | 112.1 | M326 T375 Y376 T381 I382 L383 I417 | M326-S379 PolarHBondContact SD-OG 3.26Å; T375-S379 WeakPolarHBondContact O-CB 3.41Å; T375-S379 PolarHBondContact O-N 3.18Å; T375-S379 PolarHBondContact O-OG 2.91Å; Y376-S379 PolarHBondContact O-N 3.21Å; S379-T381 PolarHBondContact O-N 2.74Å; S379-I382 PolarHBondContact O-N 3.26Å; S379-L383 WeakPolarHBondContact O-CB 3.35Å; S379-L383 VanDerWaalsContact O-CG 3.25Å; S379-L383 WeakPolarHBondContact O-CG 3.3Å; S379-L383 PolarHBondContact O-N 3.42Å; S379-I417 VanDerWaalsContact OG-CG1 3.3Å; S379-I417 WeakPolarHBondContact OG-CG1 3.37Å |
| 380 | K | 97.3 | Very high | 94.3 | Very high | 58 Ų | 58 | 36.3 Ų | 36.3 | 25% | 0.252 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -55.3 | -41.3 | 177.2 | 178 | 176.5 | -169.2 | 166 | 0 | 111.9 | Y376 L383 T384 E423 F424 | Y376-K380 HydrophobicContact CE1-CD 4.04Å; Y376-K380 VanDerWaalsContact O-CB 3.24Å; Y376-K380 WeakPolarHBondContact O-CB 3.07Å; Y376-K380 PolarHBondContact O-N 2.98Å; Y376-K380 PolarHBondContact OH-NZ 2.71Å; Y376-K380 VanDerWaalsContact OH-NZ 3.12Å; K380-L383 PolarHBondContact O-N 2.86Å; K380-T384 WeakPolarHBondContact O-CB 3.32Å; K380-T384 PolarHBondContact O-N 3Å; K380-T384 PolarHBondContact O-OG1 3.43Å; K380-E423 IonicContact NZ-OE1 2.64Å; K380-F424 HydrophobicContact CG-CE2 3.93Å; K380-F424 HydrophobicContact CG-CZ 4.2Å |
| 381 | T | 96.8 | Very high | 94.2 | Very high | 10 Ų | 10 | 38.4 Ų | 38.4 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.3 | -48 | 177.9 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | E297 I301 L314 E377 Y378 S379 L383 T384 L385 | E297-T381 HydrophobicContact CB-CG2 3.69Å; E297-T381 HydrophobicContact CG-CG2 4.05Å; I301-T381 HydrophobicContact CD1-CG2 4.13Å; I301-T381 HydrophobicContact CG1-CG2 4.12Å; L314-T381 HydrophobicContact CD2-CG2 4.16Å; E377-T381 WeakPolarHBondContact O-CB 3.3Å; E377-T381 PolarHBondContact O-N 2.75Å; E377-T381 VanDerWaalsContact O-N 3.08Å; E377-T381 PolarHBondContact O-OG1 3.11Å; Y378-T381 PolarHBondContact O-N 3.31Å; S379-T381 PolarHBondContact O-N 2.74Å; T381-L383 PolarHBondContact O-N 3.23Å; T381-T384 PolarHBondContact O-N 3.35Å; T381-L385 HydrophobicContact CG2-CD1 4.47Å; T381-L385 WeakPolarHBondContact O-CG 3.39Å; T381-L385 PolarHBondContact O-N 3.23Å |
| 382 | I | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 175.8 | -68.8 | -179.9 | 0 | 0 | 0 | 111.3 | L314 W324 M326 Y378 S379 T384 L385 M386 L398 | L314-I382 HydrophobicContact CD1-CG1 4.47Å; W324-I382 HydrophobicContact CE3-CG2 4.05Å; M326-I382 HydrophobicContact CB-CD1 4.01Å; M326-I382 HydrophobicContact CG-CD1 4.1Å; M326-I382 HydrophobicContact SD-CD1 4.3Å; Y378-I382 HydrophobicContact CD1-CD1 3.97Å; Y378-I382 HydrophobicContact CE1-CD1 3.32Å; Y378-I382 HydrophobicContact CE1-CG1 4.3Å; Y378-I382 PolarHBondContact O-N 3.18Å; S379-I382 PolarHBondContact O-N 3.26Å; I382-T384 VanDerWaalsContact C-N 3.32Å; I382-T384 PolarHBondContact O-N 2.81Å; I382-L385 PolarHBondContact O-N 3.29Å; I382-M386 WeakPolarHBondContact O-CG 3.43Å; I382-M386 PolarHBondContact O-N 3.5Å; I382-L398 HydrophobicContact CG2-CD1 4.17Å |
| 383 | L | 96.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 179.8 | -68.1 | 179.7 | 0 | 0 | 0 | 111.8 | S379 K380 T381 M386 T387 L398 A420 L421 F424 L428 | S379-L383 WeakPolarHBondContact O-CB 3.35Å; S379-L383 VanDerWaalsContact O-CG 3.25Å; S379-L383 WeakPolarHBondContact O-CG 3.3Å; S379-L383 PolarHBondContact O-N 3.42Å; K380-L383 PolarHBondContact O-N 2.86Å; T381-L383 PolarHBondContact O-N 3.23Å; L383-M386 HydrophobicContact CD2-SD 3.72Å; L383-M386 WeakPolarHBondContact O-CG 3.45Å; L383-T387 WeakPolarHBondContact O-CB 3.45Å; L383-T387 WeakPolarHBondContact O-CG2 3.21Å; L383-T387 PolarHBondContact O-N 2.88Å; L383-T387 VanDerWaalsContact O-N 3.09Å; L383-T387 PolarHBondContact O-OG1 3.09Å; L383-L398 HydrophobicContact CD2-CD2 4.05Å; L383-A420 HydrophobicContact CD1-CB 3.81Å; L383-L421 HydrophobicContact CD1-CD2 3.92Å; L383-L421 HydrophobicContact CD1-CG 4.38Å; L383-L421 HydrophobicContact CD2-CD2 3.87Å; L383-F424 HydrophobicContact CB-CB 4.44Å; L383-F424 HydrophobicContact CB-CD1 3.81Å; L383-F424 HydrophobicContact CB-CD2 4.15Å; L383-F424 HydrophobicContact CB-CE1 4.06Å; L383-F424 HydrophobicContact CB-CE2 4.4Å; L383-F424 HydrophobicContact CB-CG 3.86Å; L383-F424 HydrophobicContact CB-CZ 4.35Å; L383-F424 HydrophobicContact CD1-CB 4.11Å; L383-F424 HydrophobicContact CD1-CD2 4.07Å; L383-F424 HydrophobicContact CD1-CG 4.09Å; L383-L428 HydrophobicContact CD2-CD2 3.95Å |
| 384 | T | 95.9 | Very high | 93.7 | Very high | 52 Ų | 52 | 39.3 Ų | 39.3 | 32% | 0.319 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.4 | -50.5 | 173.9 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | K380 T381 I382 M386 T387 T388 F424 | K380-T384 WeakPolarHBondContact O-CB 3.32Å; K380-T384 PolarHBondContact O-N 3Å; K380-T384 PolarHBondContact O-OG1 3.43Å; T381-T384 PolarHBondContact O-N 3.35Å; I382-T384 VanDerWaalsContact C-N 3.32Å; I382-T384 PolarHBondContact O-N 2.81Å; T384-M386 PolarHBondContact O-N 2.83Å; T384-T387 PolarHBondContact O-N 3.25Å; T384-T388 PolarHBondContact O-N 3.25Å; T384-T388 VanDerWaalsContact O-N 3.1Å; T384-T388 PolarHBondContact O-OG1 3.4Å; T384-F424 VanDerWaalsContact OG1-CZ 3.32Å; T384-F424 WeakPolarHBondContact OG1-CZ 3.32Å |
| 385 | L | 94.3 | Very high | 93.6 | Very high | 21 Ų | 21 | 37.8 Ų | 37.8 | 11% | 0.11 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.6 | -48.5 | 179.5 | -73.5 | 169.2 | 0 | 0 | 0 | 112.4 | E297 L314 I316 W324 T381 I382 T387 T388 | E297-L385 HydrophobicContact CB-CD1 3.93Å; E297-L385 HydrophobicContact CB-CD2 4.12Å; E297-L385 HydrophobicContact CB-CG 4.21Å; E297-L385 HydrophobicContact CG-CD1 4.19Å; E297-L385 HydrophobicContact CG-CD2 3.67Å; E297-L385 HydrophobicContact CG-CG 3.9Å; L314-L385 HydrophobicContact CD2-CD1 4.01Å; I316-L385 HydrophobicContact CD1-CD1 3.62Å; I316-L385 HydrophobicContact CD1-CD2 3.73Å; I316-L385 HydrophobicContact CD1-CG 4.33Å; I316-L385 HydrophobicContact CG1-CD1 4.17Å; W324-L385 HydrophobicContact CH2-CB 3.53Å; W324-L385 HydrophobicContact CH2-CD1 4.48Å; W324-L385 HydrophobicContact CZ2-CB 4.43Å; W324-L385 HydrophobicContact CZ3-CB 3.72Å; W324-L385 HydrophobicContact CZ3-CD1 4.2Å; T381-L385 HydrophobicContact CG2-CD1 4.47Å; T381-L385 WeakPolarHBondContact O-CG 3.39Å; T381-L385 PolarHBondContact O-N 3.23Å; I382-L385 PolarHBondContact O-N 3.29Å; L385-T387 VanDerWaalsContact C-N 3.26Å; L385-T387 PolarHBondContact O-N 2.61Å; L385-T388 PolarHBondContact O-N 3.11Å |
| 386 | M | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.8 | -20.1 | -176.1 | 78.1 | -179.2 | -57 | 0 | 0 | 113.5 | W324 I382 L383 T384 K396 L398 I433 | W324-M386 HydrophobicContact CB-CE 4.18Å; W324-M386 HydrophobicContact CD2-CB 3.54Å; W324-M386 VanDerWaalsContact CE2-CB 3.43Å; W324-M386 HydrophobicContact CE3-CB 4.17Å; W324-M386 HydrophobicContact CG-CB 3.76Å; W324-M386 HydrophobicContact CG-CE 4.08Å; W324-M386 HydrophobicContact CZ2-CB 3.98Å; I382-M386 WeakPolarHBondContact O-CG 3.43Å; I382-M386 PolarHBondContact O-N 3.5Å; L383-M386 HydrophobicContact CD2-SD 3.72Å; L383-M386 WeakPolarHBondContact O-CG 3.45Å; T384-M386 PolarHBondContact O-N 2.83Å; M386-K396 HydrophobicContact CE-CB 4.4Å; M386-K396 WeakPolarHBondContact O-CD 3.38Å; M386-K396 WeakPolarHBondContact O-CE 3.43Å; M386-K396 PolarHBondContact O-NZ 3.46Å; M386-L398 HydrophobicContact CE-CB 3.99Å; M386-L398 HydrophobicContact SD-CB 4.43Å; M386-L398 HydrophobicContact SD-CD1 4.3Å; M386-L398 HydrophobicContact SD-CD2 4.3Å; M386-I433 HydrophobicContact CE-CD1 3.42Å; M386-I433 VanDerWaalsContact CE-CD1 3.42Å; M386-I433 HydrophobicContact CE-CG1 3.83Å; M386-I433 HydrophobicContact CE-CG2 3.88Å; M386-I433 HydrophobicContact CG-CD1 4.01Å; M386-I433 HydrophobicContact SD-CD1 3.92Å |
| 387 | T | 94.9 | Very high | 93.5 | Very high | 19 Ų | 19 | 37 Ų | 37 | 12% | 0.117 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 9.6 | 176.6 | 62.3 | 0 | 0 | 0 | 0 | 113.4 | L383 T384 L385 Q427 H431 I433 | L383-T387 WeakPolarHBondContact O-CB 3.45Å; L383-T387 WeakPolarHBondContact O-CG2 3.21Å; L383-T387 PolarHBondContact O-N 2.88Å; L383-T387 VanDerWaalsContact O-N 3.09Å; L383-T387 PolarHBondContact O-OG1 3.09Å; T384-T387 PolarHBondContact O-N 3.25Å; L385-T387 VanDerWaalsContact C-N 3.26Å; L385-T387 PolarHBondContact O-N 2.61Å; T387-Q427 HydrophobicContact CG2-CB 3.79Å; T387-H431 PolarHBondContact O-CE1 3.44Å; T387-H431 PolarHBondContact O-NE2 2.97Å; T387-I433 HydrophobicContact CG2-CD1 3.79Å |
| 388 | T | 91.1 | Very high | 93.5 | Very high | 89 Ų | 89 | 35.2 Ų | 35.2 | 55% | 0.546 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -85.6 | 137.5 | 170.9 | -64.3 | 0 | 0 | 0 | 0 | 110.2 | T384 L385 | T384-T388 PolarHBondContact O-N 3.25Å; T384-T388 VanDerWaalsContact O-N 3.1Å; T384-T388 PolarHBondContact O-OG1 3.4Å; L385-T388 PolarHBondContact O-N 3.11Å |
| 389 | G | 85 | Confident | 93.5 | Very high | 50 Ų | 50 | 35.2 Ų | 35.2 | 52% | 0.515 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 92 | -163.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | H431 | G389-H431 PolarHBondContact O-NE2 3.37Š|
| 390 | E | 85.8 | Confident | 93.5 | Very high | 152 Ų | 152 | 35.2 Ų | 35.2 | 71% | 0.71 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -79.3 | 146.4 | 178.1 | -68.4 | -57.8 | 141.3 | 0 | 0 | 111.4 | H392 | E390-H392 PolarHBondContact O-N 3.37Š|
| 391 | P | 89.5 | Confident | 93.4 | Very high | 50 Ų | 50 | 32.5 Ų | 32.5 | 33% | 0.325 | 20% | 0.195 | S | C | . | . | P | Polyproline II helix | trans | -55.5 | 137.1 | 173.3 | -26.3 | 35.8 | 0 | 0 | 0 | 112.5 | R430 | P391-R430 HydrophobicContact CG-CG 4.42Š|
| 392 | H | 90.6 | Very high | 93.2 | Very high | 34 Ų | 34 | 32 Ų | 32 | 16% | 0.157 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -71 | 136 | 172.2 | -170.6 | -80.4 | 0 | 0 | 0 | 109.2 | E390 D394 G395 K396 | E390-H392 PolarHBondContact O-N 3.37Å; H392-D394 VanDerWaalsContact C-N 3.27Å; H392-D394 IonicContact CE1-OD2 3.8Å; H392-D394 PolarHBondContact CE1-OD2 3.18Å; H392-D394 PolarHBondContact ND1-N 3.19Å; H392-D394 IonicContact ND1-OD2 2.71Å; H392-D394 PolarHBondContact O-N 3.06Å; H392-G395 WeakPolarHBondContact O-CA 3.13Å; H392-G395 PolarHBondContact O-N 3.08Å; H392-K396 HydrophobicContact CB-CG 3.99Å |
| 393 | P | 88.8 | Confident | 92.9 | Very high | 121 Ų | 121 | 32 Ų | 32 | 79% | 0.786 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -41.1 | -176.5 | -29.3 | 35.3 | 0 | 0 | 0 | 114.3 | G395 | P393-G395 VanDerWaalsContact C-N 3.29Å; P393-G395 PolarHBondContact O-N 3.39Å |
| 394 | D | 88.5 | Confident | 92.7 | Very high | 71 Ų | 71 | 32 Ų | 32 | 38% | 0.38 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 12.2 | 178.9 | -53 | -62.3 | 0 | 0 | 0 | 114.5 | I353 H392 | I353-D394 HydrophobicContact CD1-CB 4.1Å; H392-D394 VanDerWaalsContact C-N 3.27Å; H392-D394 IonicContact CE1-OD2 3.8Å; H392-D394 PolarHBondContact CE1-OD2 3.18Å; H392-D394 PolarHBondContact ND1-N 3.19Å; H392-D394 IonicContact ND1-OD2 2.71Å; H392-D394 PolarHBondContact O-N 3.06Å |
| 395 | G | 92.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | trans | 65.4 | -179.9 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | H392 P393 | H392-G395 WeakPolarHBondContact O-CA 3.13Å; H392-G395 PolarHBondContact O-N 3.08Å; P393-G395 VanDerWaalsContact C-N 3.29Å; P393-G395 PolarHBondContact O-N 3.39Å | ||
| 396 | K | 95.5 | Very high | 92.6 | Very high | 6 Ų | 6 | 29.3 Ų | 29.3 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 159.3 | 177.3 | -61 | -175.5 | -176.9 | -179.8 | 0 | 110.7 | R322 M386 H392 N432 I433 R434 | R322-K396 CarbonylContact O-C 3.51Å; R322-K396 VanDerWaalsContact O-CA 3.28Å; R322-K396 WeakPolarHBondContact O-CA 3.49Å; R322-K396 WeakPolarHBondContact O-CB 3.18Å; M386-K396 HydrophobicContact CE-CB 4.4Å; M386-K396 WeakPolarHBondContact O-CD 3.38Å; M386-K396 WeakPolarHBondContact O-CE 3.43Å; M386-K396 PolarHBondContact O-NZ 3.46Å; H392-K396 HydrophobicContact CB-CG 3.99Å; K396-N432 PolarHBondContact N-O 3.2Å; K396-I433 HydrophobicContact CB-CG1 4.03Å; K396-I433 WeakPolarHBondContact O-CA 3.29Å; K396-R434 PolarHBondContact O-N 3.19Å |
| 397 | V | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.8 | 177.2 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | R322 W324 L399 R434 F436 A478 | R322-V397 PolarHBondContact O-N 3.03Å; W324-V397 PolarHBondContact N-O 3.29Å; V397-L399 HydrophobicContact CG1-CD2 3.76Å; V397-L399 HydrophobicContact CG1-CG 4.2Å; V397-R434 CarbonylContact C-O 3.6Å; V397-R434 WeakPolarHBondContact CA-O 3.24Å; V397-F436 HydrophobicContact CG1-CD2 3.83Å; V397-F436 HydrophobicContact CG1-CE2 4.09Å; V397-A478 HydrophobicContact CG1-CB 3.83Å |
| 398 | L | 97.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 120 | 169.4 | -179.4 | 62.5 | 0 | 0 | 0 | 109.9 | W324 M326 I382 L383 M386 I400 L421 I433 R434 I435 F436 | W324-L398 HydrophobicContact CB-CD1 3.93Å; M326-L398 HydrophobicContact CB-CD1 4.28Å; I382-L398 HydrophobicContact CG2-CD1 4.17Å; L383-L398 HydrophobicContact CD2-CD2 4.05Å; M386-L398 HydrophobicContact CE-CB 3.99Å; M386-L398 HydrophobicContact SD-CB 4.43Å; M386-L398 HydrophobicContact SD-CD1 4.3Å; M386-L398 HydrophobicContact SD-CD2 4.3Å; L398-I400 HydrophobicContact CD2-CD1 4Å; L398-I400 HydrophobicContact CD2-CG1 4.1Å; L398-I400 HydrophobicContact CG-CD1 4.38Å; L398-I400 HydrophobicContact CG-CG1 3.94Å; L398-L421 HydrophobicContact CD2-CD2 4.46Å; L398-I433 HydrophobicContact CB-CG2 4.32Å; L398-R434 PolarHBondContact N-O 3.04Å; L398-I435 HydrophobicContact CB-CG1 4.3Å; L398-I435 HydrophobicContact CD2-CD1 4.43Å; L398-I435 HydrophobicContact CD2-CG1 4.48Å; L398-I435 WeakPolarHBondContact O-CA 3.39Å; L398-F436 PolarHBondContact O-N 2.86Å |
| 399 | L | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 108.2 | 176 | -57.6 | 178.7 | 0 | 0 | 0 | 109.5 | I323 W324 T325 M326 V340 V397 F436 V475 A478 | I323-L399 HydrophobicContact CG2-CD1 3.82Å; I323-L399 HydrophobicContact CG2-CG 4.26Å; W324-L399 PolarHBondContact O-N 3.43Å; T325-L399 HydrophobicContact CG2-CD1 4.35Å; M326-L399 PolarHBondContact N-O 2.87Å; V340-L399 HydrophobicContact CG2-CD1 3.74Å; V397-L399 HydrophobicContact CG1-CD2 3.76Å; V397-L399 HydrophobicContact CG1-CG 4.2Å; L399-F436 HydrophobicContact CD2-CB 3.96Å; L399-F436 HydrophobicContact CD2-CD2 4.33Å; L399-F436 HydrophobicContact CD2-CG 4.41Å; L399-V475 HydrophobicContact CD1-CG1 4.43Å; L399-V475 HydrophobicContact CD1-CG2 4.13Å; L399-A478 HydrophobicContact CD2-CB 3.95Å |
| 400 | I | 97.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 86.4 | 175.9 | -51.6 | -175.9 | 0 | 0 | 0 | 107.8 | M326 L398 F414 I417 L421 I435 F436 V437 R438 M451 | M326-I400 HydrophobicContact CE-CB 4.44Å; M326-I400 HydrophobicContact CE-CD1 3.51Å; M326-I400 HydrophobicContact CE-CG1 3.67Å; M326-I400 HydrophobicContact CE-CG2 4.05Å; L398-I400 HydrophobicContact CD2-CD1 4Å; L398-I400 HydrophobicContact CD2-CG1 4.1Å; L398-I400 HydrophobicContact CG-CD1 4.38Å; L398-I400 HydrophobicContact CG-CG1 3.94Å; I400-F414 HydrophobicContact CG2-CE1 4.39Å; I400-F414 HydrophobicContact CG2-CZ 4.39Å; I400-I417 HydrophobicContact CD1-CG2 3.93Å; I400-I417 HydrophobicContact CG2-CD1 4.04Å; I400-L421 HydrophobicContact CD1-CD1 4.48Å; I400-I435 HydrophobicContact CD1-CG2 3.62Å; I400-I435 HydrophobicContact CG1-CG2 3.99Å; I400-F436 PolarHBondContact N-O 3.13Å; I400-V437 HydrophobicContact CB-CG1 4.41Å; I400-V437 HydrophobicContact CB-CG2 4.21Å; I400-V437 HydrophobicContact CD1-CG2 4.42Å; I400-V437 HydrophobicContact CG2-CG1 4.4Å; I400-V437 CarbonylContact O-C 3.5Å; I400-V437 VanDerWaalsContact O-CA 3.27Å; I400-V437 WeakPolarHBondContact O-CA 3.47Å; I400-R438 PolarHBondContact O-N 2.88Å; I400-M451 HydrophobicContact CD1-CE 3.9Å |
| 401 | G | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -122.5 | 176.8 | -163.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | M326 S327 A328 Y336 R438 R439 | M326-G401 PolarHBondContact O-N 3.41Å; S327-G401 CarbonylContact C-O 3.49Å; S327-G401 WeakPolarHBondContact CA-O 3.24Å; A328-G401 PolarHBondContact N-O 3.47Å; Y336-G401 WeakPolarHBondContact OH-CA 3.5Å; G401-R438 CarbonylContact C-O 3.59Å; G401-R438 WeakPolarHBondContact CA-O 3.33Å; G401-R439 PolarHBondContact O-NH1 2.93Å | ||
| 402 | G | 92.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | 140.4 | -179 | 157.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y336 R438 | Y336-G402 VanDerWaalsContact CE2-CA 3.43Å; Y336-G402 PolarHBondContact OH-N 2.81Å; Y336-G402 VanDerWaalsContact OH-N 3.12Å; G402-R438 PolarHBondContact N-O 2.96Å; G402-R438 PolarHBondContact O-NH1 2.93Å |
| 403 | G | 90.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | trans | -70.3 | 168.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A405 R439 E765 | G403-A405 PolarHBondContact O-N 3Å; G403-A405 VanDerWaalsContact O-N 3.14Å; G403-R439 PolarHBondContact O-NH2 3.42Å; G403-E765 VanDerWaalsContact CA-OE2 3.25Å; G403-E765 WeakPolarHBondContact CA-OE2 3.38Å | ||
| 404 | I | 93.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | B | Isolated β-bridge | trans | -61.6 | 114.7 | 172.1 | -46.2 | -166.4 | 0 | 0 | 0 | 109.7 | A440 P467 N764 E765 N768 | I404-A440 HydrophobicContact CB-CB 4.26Å; I404-A440 HydrophobicContact CD1-CB 4.47Å; I404-A440 HydrophobicContact CG1-CB 4.02Å; I404-A440 HydrophobicContact CG2-CB 3.91Å; I404-P467 HydrophobicContact CD1-CB 4.14Å; I404-N764 HydrophobicContact CB-CB 4.36Å; I404-N764 VanDerWaalsContact CG2-ND2 3.28Å; I404-N764 WeakPolarHBondContact CG2-ND2 3.14Å; I404-N764 WeakPolarHBondContact O-CB 3.44Å; I404-N764 PolarHBondContact O-ND2 2.86Å; I404-E765 WeakPolarHBondContact CG1-OE2 3.36Å; I404-E765 PolarHBondContact N-OE2 3.12Å; I404-N768 HydrophobicContact CD1-CB 3.58Å |
| 405 | A | 93.9 | Very high | 94 | Very high | 7 Ų | 7 | 14.4 Ų | 14.4 | 6% | 0.058 | 7% | 0.074 | C | C | . | . | trans | -69.5 | 144.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G403 I410 A440 G441 P442 N764 | G403-A405 PolarHBondContact O-N 3Å; G403-A405 VanDerWaalsContact O-N 3.14Å; A405-I410 HydrophobicContact CB-CD1 3.98Å; A405-A440 PolarHBondContact N-O 3.09Å; A405-G441 WeakPolarHBondContact O-CA 3.42Å; A405-P442 WeakPolarHBondContact O-CD 3.4Å; A405-N764 PolarHBondContact O-ND2 2.81Å | ||
| 406 | N | 93.1 | Very high | 94.1 | Very high | 9 Ų | 9 | 14.3 Ų | 14.3 | 5% | 0.048 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -83.7 | -42.8 | 174.3 | -68 | -76.7 | 0 | 0 | 0 | 111.7 | V722 N734 G736 G737 G760 | N406-V722 HydrophobicContact CB-CG2 3.75Å; N406-N734 WeakPolarHBondContact CB-O 3.44Å; N406-G736 PolarHBondContact OD1-N 3.45Å; N406-G737 WeakPolarHBondContact O-CA 3.39Å; N406-G760 PolarHBondContact ND2-O 2.87Å |
| 407 | F | 90.7 | Very high | 94.2 | Very high | 89 Ų | 89 | 14 Ų | 14 | 39% | 0.39 | 7% | 0.072 | S | C | . | . | S | Bend | trans | -137.9 | -14.4 | -172.7 | 56.1 | -90 | 0 | 0 | 0 | 114.6 | A369 N409 V722 N734 | A369-F407 HydrophobicContact CB-CD2 3.77Å; A369-F407 HydrophobicContact CB-CE2 3.92Å; F407-N409 PolarHBondContact O-N 3.34Å; F407-V722 HydrophobicContact CD1-CG2 4.37Å; F407-V722 HydrophobicContact CE1-CG2 4.43Å; F407-N734 HydrophobicContact CB-CB 3.88Å; F407-N734 HydrophobicContact CD1-CB 4.12Å; F407-N734 HydrophobicContact CG-CB 4.39Å |
| 408 | T | 90.3 | Very high | 94.2 | Very high | 10 Ų | 10 | 15.4 Ų | 15.4 | 6% | 0.061 | 8% | 0.08 | C | C | . | . | trans | -64.9 | 123.1 | 175.5 | -57.4 | 0 | 0 | 0 | 0 | 110.4 | A369 I410 T413 P442 | A369-T408 PolarHBondContact N-OG1 3.48Å; T408-I410 HydrophobicContact CG2-CD1 4.41Å; T408-I410 PolarHBondContact O-N 3.22Å; T408-T413 HydrophobicContact CG2-CG2 3.72Å; T408-P442 WeakPolarHBondContact O-CD 3.21Å | ||
| 409 | N | 92.3 | Very high | 94.1 | Very high | 59 Ų | 59 | 18.6 Ų | 18.6 | 32% | 0.316 | 9% | 0.092 | S | C | . | . | trans | -73 | 107.1 | 174 | -177.3 | -18.1 | 0 | 0 | 0 | 110.1 | F407 A411 A412 T413 N443 | F407-N409 PolarHBondContact O-N 3.34Å; N409-A411 WeakPolarHBondContact OD1-CB 3.39Å; N409-A411 PolarHBondContact OD1-N 2.95Å; N409-A411 VanDerWaalsContact OD1-N 3.07Å; N409-A412 HydrophobicContact CB-CB 4.1Å; N409-A412 PolarHBondContact O-N 2.78Å; N409-A412 PolarHBondContact OD1-N 3.23Å; N409-T413 PolarHBondContact O-N 3.36Å; N409-T413 VanDerWaalsContact O-N 3.16Å; N409-T413 PolarHBondContact O-OG1 2.9Å; N409-N443 PolarHBondContact ND2-ND2 3.49Å; N409-N443 PolarHBondContact OD1-ND2 2.89Å | ||
| 410 | I | 94.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.1 | -37.7 | -176.6 | -57 | -52.3 | 0 | 0 | 0 | 111 | A405 T408 A412 T413 F414 R439 P442 | A405-I410 HydrophobicContact CB-CD1 3.98Å; T408-I410 HydrophobicContact CG2-CD1 4.41Å; T408-I410 PolarHBondContact O-N 3.22Å; I410-A412 PolarHBondContact O-N 2.94Å; I410-T413 WeakPolarHBondContact CA-OG1 3.35Å; I410-T413 PolarHBondContact O-N 2.88Å; I410-T413 PolarHBondContact O-OG1 3.32Å; I410-T413 VanDerWaalsContact O-OG1 3.06Å; I410-F414 HydrophobicContact CG2-CD1 4Å; I410-F414 HydrophobicContact CG2-CD2 4.28Å; I410-F414 HydrophobicContact CG2-CE1 4.04Å; I410-F414 HydrophobicContact CG2-CE2 4.29Å; I410-F414 HydrophobicContact CG2-CG 4.15Å; I410-F414 HydrophobicContact CG2-CZ 4.2Å; I410-F414 VanDerWaalsContact O-CB 3.24Å; I410-F414 WeakPolarHBondContact O-CB 3.48Å; I410-F414 WeakPolarHBondContact O-CG 3.31Å; I410-F414 PolarHBondContact O-N 3.34Å; I410-R439 HydrophobicContact CD1-CG 3.73Å; I410-R439 HydrophobicContact CG1-CG 4.29Å; I410-R439 HydrophobicContact CG2-CB 4.43Å; I410-R439 HydrophobicContact CG2-CG 3.98Å; I410-P442 WeakPolarHBondContact CB-O 3.38Å; I410-P442 PolarHBondContact N-O 2.97Å |
| 411 | A | 92 | Very high | 94.1 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 2% | 0.017 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.2 | -45.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | N409 F414 K415 N443 E446 | N409-A411 WeakPolarHBondContact OD1-CB 3.39Å; N409-A411 PolarHBondContact OD1-N 2.95Å; N409-A411 VanDerWaalsContact OD1-N 3.07Å; A411-F414 PolarHBondContact O-N 3.09Å; A411-K415 VanDerWaalsContact O-CG 3.31Å; A411-K415 WeakPolarHBondContact O-CG 3.46Å; A411-K415 PolarHBondContact O-N 2.5Å; A411-N443 HydrophobicContact CB-CB 3.92Å; A411-E446 HydrophobicContact CB-CB 4.11Å; A411-E446 HydrophobicContact CB-CG 3.99Å |
| 412 | A | 92.4 | Very high | 94.2 | Very high | 25 Ų | 25 | 21.5 Ų | 21.5 | 21% | 0.207 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65 | -47.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N409 I410 F414 K415 G416 | N409-A412 HydrophobicContact CB-CB 4.1Å; N409-A412 PolarHBondContact O-N 2.78Å; N409-A412 PolarHBondContact OD1-N 3.23Å; I410-A412 PolarHBondContact O-N 2.94Å; A412-F414 VanDerWaalsContact C-N 3.32Å; A412-F414 PolarHBondContact O-N 3.05Å; A412-K415 PolarHBondContact O-N 3.28Å; A412-G416 PolarHBondContact O-N 3.18Å |
| 413 | T | 95.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.4 | -39.1 | 177.5 | 55.5 | 0 | 0 | 0 | 0 | 111.7 | Y366 P370 T375 T408 N409 I410 G416 I417 | Y366-T413 HydrophobicContact CE2-CG2 4.25Å; P370-T413 HydrophobicContact CG-CG2 4.19Å; T375-T413 VanDerWaalsContact CG2-O 3.3Å; T375-T413 WeakPolarHBondContact CG2-O 3.33Å; T408-T413 HydrophobicContact CG2-CG2 3.72Å; N409-T413 PolarHBondContact O-N 3.36Å; N409-T413 VanDerWaalsContact O-N 3.16Å; N409-T413 PolarHBondContact O-OG1 2.9Å; I410-T413 WeakPolarHBondContact CA-OG1 3.35Å; I410-T413 PolarHBondContact O-N 2.88Å; I410-T413 PolarHBondContact O-OG1 3.32Å; I410-T413 VanDerWaalsContact O-OG1 3.06Å; T413-G416 PolarHBondContact O-N 3.21Å; T413-I417 PolarHBondContact O-N 2.91Å; T413-I417 VanDerWaalsContact O-N 3.15Å |
| 414 | F | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -72.1 | -30 | 179.1 | -81.5 | 26.5 | 0 | 0 | 0 | 112.9 | I400 I410 A411 A412 G416 I417 V418 V437 R439 G447 L448 I450 M451 | I400-F414 HydrophobicContact CG2-CE1 4.39Å; I400-F414 HydrophobicContact CG2-CZ 4.39Å; I410-F414 HydrophobicContact CG2-CD1 4Å; I410-F414 HydrophobicContact CG2-CD2 4.28Å; I410-F414 HydrophobicContact CG2-CE1 4.04Å; I410-F414 HydrophobicContact CG2-CE2 4.29Å; I410-F414 HydrophobicContact CG2-CG 4.15Å; I410-F414 HydrophobicContact CG2-CZ 4.2Å; I410-F414 VanDerWaalsContact O-CB 3.24Å; I410-F414 WeakPolarHBondContact O-CB 3.48Å; I410-F414 WeakPolarHBondContact O-CG 3.31Å; I410-F414 PolarHBondContact O-N 3.34Å; A411-F414 PolarHBondContact O-N 3.09Å; A412-F414 VanDerWaalsContact C-N 3.32Å; A412-F414 PolarHBondContact O-N 3.05Å; F414-G416 VanDerWaalsContact C-N 3.3Å; F414-G416 PolarHBondContact O-N 3.2Å; F414-I417 HydrophobicContact CD1-CD1 3.75Å; F414-I417 HydrophobicContact CE1-CD1 4.01Å; F414-I417 PolarHBondContact O-N 3.18Å; F414-V418 WeakPolarHBondContact O-CB 3.37Å; F414-V418 WeakPolarHBondContact O-CG2 3.38Å; F414-V418 PolarHBondContact O-N 3.4Å; F414-V437 HydrophobicContact CE2-CG1 3.58Å; F414-V437 HydrophobicContact CZ-CG1 3.63Å; F414-R439 HydrophobicContact CE1-CB 4.22Å; F414-R439 HydrophobicContact CE1-CG 4.06Å; F414-R439 HydrophobicContact CE2-CB 4.35Å; F414-R439 HydrophobicContact CZ-CB 3.56Å; F414-R439 HydrophobicContact CZ-CG 3.92Å; F414-G447 VanDerWaalsContact CD2-C 3.49Å; F414-G447 VanDerWaalsContact CD2-O 3.31Å; F414-G447 WeakPolarHBondContact CD2-O 3.35Å; F414-L448 HydrophobicContact CE2-CD2 3.98Å; F414-I450 HydrophobicContact CB-CD1 3.95Å; F414-I450 HydrophobicContact CB-CG1 4.42Å; F414-M451 HydrophobicContact CD2-CB 4.47Å; F414-M451 HydrophobicContact CD2-CG 3.36Å; F414-M451 HydrophobicContact CD2-SD 4.45Å; F414-M451 HydrophobicContact CE2-CG 3.75Å; F414-M451 HydrophobicContact CG-CG 4.22Å |
| 415 | K | 95.2 | Very high | 94.7 | Very high | 87 Ų | 87 | 31 Ų | 31 | 38% | 0.378 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -59.1 | -42.4 | 169.9 | -75.7 | 173 | -178.6 | -179.7 | 0 | 111.8 | E372 A411 A412 V418 R419 I450 | E372-K415 VanDerWaalsContact CD-CB 3.48Å; E372-K415 HydrophobicContact CG-CB 3.96Å; E372-K415 WeakPolarHBondContact OE1-CB 3.39Å; A411-K415 VanDerWaalsContact O-CG 3.31Å; A411-K415 WeakPolarHBondContact O-CG 3.46Å; A411-K415 PolarHBondContact O-N 2.5Å; A412-K415 PolarHBondContact O-N 3.28Å; K415-V418 PolarHBondContact O-N 3.01Å; K415-R419 WeakPolarHBondContact O-CB 3.4Å; K415-R419 PolarHBondContact O-N 2.98Å; K415-I450 HydrophobicContact CG-CD1 3.77Å |
| 416 | G | 95.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E372 A412 T413 F414 R419 A420 | E372-G416 WeakPolarHBondContact O-CA 3.44Å; A412-G416 PolarHBondContact O-N 3.18Å; T413-G416 PolarHBondContact O-N 3.21Å; F414-G416 VanDerWaalsContact C-N 3.3Å; F414-G416 PolarHBondContact O-N 3.2Å; G416-R419 PolarHBondContact O-N 3.22Å; G416-A420 PolarHBondContact O-N 3.43Å; G416-A420 VanDerWaalsContact O-N 3.12Å |
| 417 | I | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.1 | -45.8 | 174.1 | -67.5 | 164.5 | 0 | 0 | 0 | 111.2 | M326 T375 S379 I400 T413 F414 R419 A420 L421 M451 | M326-I417 HydrophobicContact CE-CB 4.46Å; M326-I417 HydrophobicContact CE-CD1 3.91Å; M326-I417 HydrophobicContact CE-CG1 3.78Å; M326-I417 HydrophobicContact CE-CG2 3.86Å; M326-I417 HydrophobicContact SD-CG1 4.41Å; T375-I417 HydrophobicContact CG2-CD1 4.23Å; T375-I417 HydrophobicContact CG2-CG1 3.87Å; S379-I417 VanDerWaalsContact OG-CG1 3.3Å; S379-I417 WeakPolarHBondContact OG-CG1 3.37Å; I400-I417 HydrophobicContact CD1-CG2 3.93Å; I400-I417 HydrophobicContact CG2-CD1 4.04Å; T413-I417 PolarHBondContact O-N 2.91Å; T413-I417 VanDerWaalsContact O-N 3.15Å; F414-I417 HydrophobicContact CD1-CD1 3.75Å; F414-I417 HydrophobicContact CE1-CD1 4.01Å; F414-I417 PolarHBondContact O-N 3.18Å; I417-R419 VanDerWaalsContact C-N 3.33Å; I417-R419 PolarHBondContact O-N 3.25Å; I417-A420 PolarHBondContact O-N 2.97Å; I417-L421 HydrophobicContact CG2-CD1 3.72Å; I417-L421 HydrophobicContact CG2-CG 4.17Å; I417-L421 WeakPolarHBondContact O-CB 3.1Å; I417-L421 WeakPolarHBondContact O-CG 3.28Å; I417-L421 PolarHBondContact O-N 2.65Å; I417-M451 HydrophobicContact CG2-CE 4.25Å; I417-M451 HydrophobicContact CG2-SD 4.11Å |
| 418 | V | 96.6 | Very high | 95 | Very high | 29 Ų | 29 | 35.2 Ų | 35.2 | 18% | 0.176 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.4 | -42.5 | 180 | 164.3 | 0 | 0 | 0 | 0 | 110.7 | F414 K415 L421 T422 I450 M451 L454 | F414-V418 WeakPolarHBondContact O-CB 3.37Å; F414-V418 WeakPolarHBondContact O-CG2 3.38Å; F414-V418 PolarHBondContact O-N 3.4Å; K415-V418 PolarHBondContact O-N 3.01Å; V418-L421 PolarHBondContact O-N 2.89Å; V418-T422 WeakPolarHBondContact O-CB 3.41Å; V418-T422 PolarHBondContact O-N 3.38Å; V418-T422 PolarHBondContact O-OG1 3.16Å; V418-I450 HydrophobicContact CG2-CB 4.47Å; V418-I450 HydrophobicContact CG2-CD1 4.1Å; V418-I450 HydrophobicContact CG2-CG1 4.13Å; V418-M451 HydrophobicContact CG2-CG 4.44Å; V418-M451 HydrophobicContact CG2-SD 3.64Å; V418-L454 HydrophobicContact CB-CD2 4.25Å; V418-L454 HydrophobicContact CG1-CD1 4.2Å; V418-L454 HydrophobicContact CG1-CD2 4.2Å; V418-L454 HydrophobicContact CG2-CD2 3.98Å |
| 419 | R | 95.9 | Very high | 95.2 | Very high | 68 Ų | 68 | 38.9 Ų | 38.9 | 26% | 0.257 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.5 | -48.5 | 175.1 | -167.2 | 171.7 | 79.4 | -179.3 | 3.7 | 111 | E373 Y376 K415 G416 I417 T422 E423 E962 | E373-R419 IonicContact OE1-NH2 3.74Å; E373-R419 PolarHBondContact OE1-NH2 3.45Å; E373-R419 IonicContact OE2-CZ 2.91Å; E373-R419 IonicContact OE2-NH1 3.85Å; E373-R419 PolarHBondContact OE2-NH1 3.4Å; E373-R419 IonicContact OE2-NH2 2.71Å; E373-R419 PolarHBondContact OE2-NH2 2.94Å; Y376-R419 HydrophobicContact CD2-CB 3.91Å; Y376-R419 HydrophobicContact CD2-CG 3.91Å; Y376-R419 VanDerWaalsContact CD2-NE 3.26Å; Y376-R419 HydrophobicContact CE2-CB 4.38Å; Y376-R419 HydrophobicContact CE2-CG 3.98Å; K415-R419 WeakPolarHBondContact O-CB 3.4Å; K415-R419 PolarHBondContact O-N 2.98Å; G416-R419 PolarHBondContact O-N 3.22Å; I417-R419 VanDerWaalsContact C-N 3.33Å; I417-R419 PolarHBondContact O-N 3.25Å; R419-T422 PolarHBondContact O-N 3.37Å; R419-E423 PolarHBondContact O-N 3.32Å; R419-E962 IonicContact NH1-OE1 3.76Å; R419-E962 PolarHBondContact NH1-OE1 2.88Å |
| 420 | A | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.8 | -45.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y376 L383 G416 I417 T422 E423 F424 | Y376-A420 HydrophobicContact CD2-CB 3.83Å; Y376-A420 HydrophobicContact CE2-CB 4.14Å; L383-A420 HydrophobicContact CD1-CB 3.81Å; G416-A420 PolarHBondContact O-N 3.43Å; G416-A420 VanDerWaalsContact O-N 3.12Å; I417-A420 PolarHBondContact O-N 2.97Å; A420-T422 VanDerWaalsContact C-N 3.3Å; A420-T422 PolarHBondContact O-N 3.46Å; A420-E423 PolarHBondContact O-N 2.86Å; A420-F424 VanDerWaalsContact O-CD2 3.31Å; A420-F424 WeakPolarHBondContact O-CD2 3.28Å; A420-F424 PolarHBondContact O-N 3.31Å; A420-F424 VanDerWaalsContact O-N 3.13Å |
| 421 | L | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -35.1 | 178 | -72.5 | 174.8 | 0 | 0 | 0 | 112.7 | L383 L398 I400 I417 V418 F424 K425 L428 I435 M451 L454 I458 | L383-L421 HydrophobicContact CD1-CD2 3.92Å; L383-L421 HydrophobicContact CD1-CG 4.38Å; L383-L421 HydrophobicContact CD2-CD2 3.87Å; L398-L421 HydrophobicContact CD2-CD2 4.46Å; I400-L421 HydrophobicContact CD1-CD1 4.48Å; I417-L421 HydrophobicContact CG2-CD1 3.72Å; I417-L421 HydrophobicContact CG2-CG 4.17Å; I417-L421 WeakPolarHBondContact O-CB 3.1Å; I417-L421 WeakPolarHBondContact O-CG 3.28Å; I417-L421 PolarHBondContact O-N 2.65Å; V418-L421 PolarHBondContact O-N 2.89Å; L421-F424 PolarHBondContact O-N 3.34Å; L421-K425 PolarHBondContact O-N 2.98Å; L421-L428 HydrophobicContact CB-CD1 4.5Å; L421-L428 HydrophobicContact CD2-CD1 3.74Å; L421-I435 HydrophobicContact CD1-CD1 4.05Å; L421-I435 HydrophobicContact CD2-CD1 3.59Å; L421-I435 HydrophobicContact CG-CD1 4.49Å; L421-M451 HydrophobicContact CD1-CE 3.86Å; L421-M451 HydrophobicContact CD1-SD 4.31Å; L421-L454 HydrophobicContact CB-CD2 3.7Å; L421-L454 HydrophobicContact CD1-CD2 3.68Å; L421-L454 HydrophobicContact CG-CD2 4.35Å; L421-I458 HydrophobicContact CB-CD1 4.46Å |
| 422 | T | 96.2 | Very high | 95.5 | Very high | 63 Ų | 63 | 48.8 Ų | 48.8 | 39% | 0.387 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66 | -41 | 177 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | V418 R419 A420 L454 | V418-T422 WeakPolarHBondContact O-CB 3.41Å; V418-T422 PolarHBondContact O-N 3.38Å; V418-T422 PolarHBondContact O-OG1 3.16Å; R419-T422 PolarHBondContact O-N 3.37Å; A420-T422 VanDerWaalsContact C-N 3.3Å; A420-T422 PolarHBondContact O-N 3.46Å; T422-L454 WeakPolarHBondContact OG1-CD1 3.41Å |
| 423 | E | 95.9 | Very high | 95.6 | Very high | 95 Ų | 95 | 47.7 Ų | 47.7 | 44% | 0.444 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.2 | -36.6 | 176.4 | -173.2 | -179.3 | 158.8 | 0 | 0 | 112.2 | Y376 K380 R419 A420 | Y376-E423 WeakPolarHBondContact CE2-OE2 3.47Å; Y376-E423 PolarHBondContact OH-OE2 2.95Å; K380-E423 IonicContact NZ-OE1 2.64Å; R419-E423 PolarHBondContact O-N 3.32Å; A420-E423 PolarHBondContact O-N 2.86Å |
| 424 | F | 95.9 | Very high | 95.6 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 8% | 0.075 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 10.9 | -177.1 | -79 | -104.6 | 0 | 0 | 0 | 114.7 | K380 L383 T384 A420 L421 E426 Q427 L428 | K380-F424 HydrophobicContact CG-CE2 3.93Å; K380-F424 HydrophobicContact CG-CZ 4.2Å; L383-F424 HydrophobicContact CB-CB 4.44Å; L383-F424 HydrophobicContact CB-CD1 3.81Å; L383-F424 HydrophobicContact CB-CD2 4.15Å; L383-F424 HydrophobicContact CB-CE1 4.06Å; L383-F424 HydrophobicContact CB-CE2 4.4Å; L383-F424 HydrophobicContact CB-CG 3.86Å; L383-F424 HydrophobicContact CB-CZ 4.35Å; L383-F424 HydrophobicContact CD1-CB 4.11Å; L383-F424 HydrophobicContact CD1-CD2 4.07Å; L383-F424 HydrophobicContact CD1-CG 4.09Å; T384-F424 VanDerWaalsContact OG1-CZ 3.32Å; T384-F424 WeakPolarHBondContact OG1-CZ 3.32Å; A420-F424 VanDerWaalsContact O-CD2 3.31Å; A420-F424 WeakPolarHBondContact O-CD2 3.28Å; A420-F424 PolarHBondContact O-N 3.31Å; A420-F424 VanDerWaalsContact O-N 3.13Å; L421-F424 PolarHBondContact O-N 3.34Å; F424-E426 VanDerWaalsContact C-N 3.27Å; F424-E426 PolarHBondContact O-N 2.97Å; F424-E426 VanDerWaalsContact O-N 3.11Å; F424-Q427 VanDerWaalsContact C-OE1 3.23Å; F424-Q427 HydrophobicContact CD1-CB 4.4Å; F424-Q427 HydrophobicContact CD1-CG 4.45Å; F424-Q427 PolarHBondContact O-N 3.48Å; F424-Q427 VanDerWaalsContact O-N 3.13Å; F424-Q427 PolarHBondContact O-OE1 3.47Å; F424-Q427 VanDerWaalsContact O-OE1 3.13Å; F424-L428 HydrophobicContact CB-CD1 4.31Å; F424-L428 HydrophobicContact CB-CG 4.16Å; F424-L428 WeakPolarHBondContact O-CB 3.49Å; F424-L428 VanDerWaalsContact O-CG 3.24Å; F424-L428 WeakPolarHBondContact O-CG 3.31Å; F424-L428 PolarHBondContact O-N 3.45Å |
| 425 | K | 94.6 | Very high | 95.6 | Very high | 90 Ų | 90 | 50.7 Ų | 50.7 | 39% | 0.391 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -51.3 | -40.9 | -171.7 | 70.1 | 179.4 | -176.4 | 170.6 | 0 | 114.2 | L421 K429 I458 | L421-K425 PolarHBondContact O-N 2.98Å; K425-K429 WeakPolarHBondContact O-CG 3.15Å; K425-K429 PolarHBondContact O-N 3.15Å; K425-I458 HydrophobicContact CB-CB 4.15Å; K425-I458 HydrophobicContact CB-CG2 4.26Å |
| 426 | E | 94.6 | Very high | 95.8 | Very high | 116 Ų | 116 | 46.6 Ų | 46.6 | 54% | 0.542 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -73.2 | -41.5 | -176.3 | -62.2 | -54.9 | 142.9 | 0 | 0 | 111.1 | F424 L428 K429 R430 | F424-E426 VanDerWaalsContact C-N 3.27Å; F424-E426 PolarHBondContact O-N 2.97Å; F424-E426 VanDerWaalsContact O-N 3.11Å; E426-L428 VanDerWaalsContact C-N 3.35Å; E426-K429 PolarHBondContact O-N 3.4Å; E426-R430 WeakPolarHBondContact O-CB 3.41Å; E426-R430 PolarHBondContact O-N 3.24Å |
| 427 | Q | 95.1 | Very high | 95.8 | Very high | 77 Ų | 77 | 46.6 Ų | 46.6 | 36% | 0.36 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.4 | -39.9 | 177.7 | -61.5 | 85.4 | -21.2 | 0 | 0 | 110.9 | T387 F424 R430 H431 | T387-Q427 HydrophobicContact CG2-CB 3.79Å; F424-Q427 VanDerWaalsContact C-OE1 3.23Å; F424-Q427 HydrophobicContact CD1-CB 4.4Å; F424-Q427 HydrophobicContact CD1-CG 4.45Å; F424-Q427 PolarHBondContact O-N 3.48Å; F424-Q427 VanDerWaalsContact O-N 3.13Å; F424-Q427 PolarHBondContact O-OE1 3.47Å; F424-Q427 VanDerWaalsContact O-OE1 3.13Å; Q427-R430 PolarHBondContact O-N 2.98Å; Q427-H431 PolarHBondContact O-N 2.92Å; Q427-H431 PolarHBondContact O-ND1 3.26Å |
| 428 | L | 95 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 177.2 | -68.6 | 170.7 | 0 | 0 | 0 | 112 | L383 L421 F424 E426 H431 N432 I433 I460 | L383-L428 HydrophobicContact CD2-CD2 3.95Å; L421-L428 HydrophobicContact CB-CD1 4.5Å; L421-L428 HydrophobicContact CD2-CD1 3.74Å; F424-L428 HydrophobicContact CB-CD1 4.31Å; F424-L428 HydrophobicContact CB-CG 4.16Å; F424-L428 WeakPolarHBondContact O-CB 3.49Å; F424-L428 VanDerWaalsContact O-CG 3.24Å; F424-L428 WeakPolarHBondContact O-CG 3.31Å; F424-L428 PolarHBondContact O-N 3.45Å; E426-L428 VanDerWaalsContact C-N 3.35Å; L428-H431 PolarHBondContact O-N 2.96Å; L428-N432 PolarHBondContact O-N 2.96Å; L428-I433 HydrophobicContact CD2-CB 4.07Å; L428-I433 HydrophobicContact CD2-CD1 3.49Å; L428-I433 VanDerWaalsContact CD2-CD1 3.49Å; L428-I433 HydrophobicContact CD2-CG1 4.33Å; L428-I433 HydrophobicContact CD2-CG2 3.99Å; L428-I433 PolarHBondContact O-N 2.96Å; L428-I433 VanDerWaalsContact O-N 3.11Å; L428-I460 HydrophobicContact CB-CD1 3.37Å; L428-I460 HydrophobicContact CD1-CD1 3.62Å; L428-I460 HydrophobicContact CG-CD1 4.14Å |
| 429 | K | 94.1 | Very high | 95.7 | Very high | 87 Ų | 87 | 45.7 Ų | 45.7 | 38% | 0.378 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.5 | -47 | 173.8 | -73.2 | -172 | -175.7 | -157.9 | 0 | 111.7 | K425 E426 H431 N432 I458 D459 I460 | K425-K429 WeakPolarHBondContact O-CG 3.15Å; K425-K429 PolarHBondContact O-N 3.15Å; E426-K429 PolarHBondContact O-N 3.4Å; K429-H431 PolarHBondContact O-N 3.17Å; K429-N432 PolarHBondContact O-N 3.41Å; K429-I458 WeakPolarHBondContact CE-O 3.46Å; K429-I458 PolarHBondContact NZ-O 3.42Å; K429-D459 VanDerWaalsContact CE-O 3.24Å; K429-D459 WeakPolarHBondContact CE-O 3.45Å; K429-D459 IonicContact NZ-OD2 3.61Å; K429-D459 PolarHBondContact NZ-OD2 3.06Å; K429-I460 HydrophobicContact CG-CD1 4.28Å; K429-I460 HydrophobicContact CG-CG1 3.97Å |
| 430 | R | 94.4 | Very high | 95.6 | Very high | 167 Ų | 167 | 42.5 Ų | 42.5 | 63% | 0.63 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -56.1 | -37.6 | 178.7 | 178.7 | 177.4 | 173.3 | 171.1 | -2.1 | 112.9 | P391 E426 Q427 | P391-R430 HydrophobicContact CG-CG 4.42Å; E426-R430 WeakPolarHBondContact O-CB 3.41Å; E426-R430 PolarHBondContact O-N 3.24Å; Q427-R430 PolarHBondContact O-N 2.98Å |
| 431 | H | 95.6 | Very high | 95.4 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 5.1 | -179.1 | -68.7 | 82.1 | 0 | 0 | 0 | 114 | T387 G389 Q427 L428 K429 I433 | T387-H431 PolarHBondContact O-CE1 3.44Å; T387-H431 PolarHBondContact O-NE2 2.97Å; G389-H431 PolarHBondContact O-NE2 3.37Å; Q427-H431 PolarHBondContact O-N 2.92Å; Q427-H431 PolarHBondContact O-ND1 3.26Å; L428-H431 PolarHBondContact O-N 2.96Å; K429-H431 PolarHBondContact O-N 3.17Å; H431-I433 VanDerWaalsContact C-N 3.32Å; H431-I433 HydrophobicContact CB-CD1 3.87Å; H431-I433 HydrophobicContact CB-CG1 3.92Å; H431-I433 PolarHBondContact O-N 3.17Å |
| 432 | N | 95.1 | Very high | 95.1 | Very high | 96 Ų | 96 | 43.3 Ų | 43.3 | 51% | 0.513 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 51.6 | -177.2 | -170.3 | 26.1 | 0 | 0 | 0 | 112.2 | K396 L428 K429 | K396-N432 PolarHBondContact N-O 3.2Å; L428-N432 PolarHBondContact O-N 2.96Å; K429-N432 PolarHBondContact O-N 3.41Å |
| 433 | I | 95.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 129.3 | -176.8 | -70.9 | 168 | 0 | 0 | 0 | 110.7 | M386 T387 K396 L398 L428 H431 I435 I460 | M386-I433 HydrophobicContact CE-CD1 3.42Å; M386-I433 VanDerWaalsContact CE-CD1 3.42Å; M386-I433 HydrophobicContact CE-CG1 3.83Å; M386-I433 HydrophobicContact CE-CG2 3.88Å; M386-I433 HydrophobicContact CG-CD1 4.01Å; M386-I433 HydrophobicContact SD-CD1 3.92Å; T387-I433 HydrophobicContact CG2-CD1 3.79Å; K396-I433 HydrophobicContact CB-CG1 4.03Å; K396-I433 WeakPolarHBondContact O-CA 3.29Å; L398-I433 HydrophobicContact CB-CG2 4.32Å; L428-I433 HydrophobicContact CD2-CB 4.07Å; L428-I433 HydrophobicContact CD2-CD1 3.49Å; L428-I433 VanDerWaalsContact CD2-CD1 3.49Å; L428-I433 HydrophobicContact CD2-CG1 4.33Å; L428-I433 HydrophobicContact CD2-CG2 3.99Å; L428-I433 PolarHBondContact O-N 2.96Å; L428-I433 VanDerWaalsContact O-N 3.11Å; H431-I433 VanDerWaalsContact C-N 3.32Å; H431-I433 HydrophobicContact CB-CD1 3.87Å; H431-I433 HydrophobicContact CB-CG1 3.92Å; H431-I433 PolarHBondContact O-N 3.17Å; I433-I435 HydrophobicContact CG2-CG1 4.01Å; I433-I460 WeakPolarHBondContact O-CG2 3.05Å |
| 434 | R | 95.5 | Very high | 94.6 | Very high | 65 Ų | 65 | 38.9 Ų | 38.9 | 25% | 0.245 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 134 | 168.9 | -62.1 | -177 | -65.7 | 141.5 | 6.2 | 110.1 | K396 V397 L398 F436 P461 A478 | K396-R434 PolarHBondContact O-N 3.19Å; V397-R434 CarbonylContact C-O 3.6Å; V397-R434 WeakPolarHBondContact CA-O 3.24Å; L398-R434 PolarHBondContact N-O 3.04Å; R434-F436 HydrophobicContact CB-CE2 4.04Å; R434-P461 HydrophobicContact CG-CB 4.24Å; R434-P461 HydrophobicContact CG-CG 4.36Å; R434-A478 PolarHBondContact NH2-O 3.09Å |
| 435 | I | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 129.8 | -175.2 | -52.1 | -178.1 | 0 | 0 | 0 | 109.5 | L398 I400 L421 I433 V437 I460 P461 I462 Y463 | L398-I435 HydrophobicContact CB-CG1 4.3Å; L398-I435 HydrophobicContact CD2-CD1 4.43Å; L398-I435 HydrophobicContact CD2-CG1 4.48Å; L398-I435 WeakPolarHBondContact O-CA 3.39Å; I400-I435 HydrophobicContact CD1-CG2 3.62Å; I400-I435 HydrophobicContact CG1-CG2 3.99Å; L421-I435 HydrophobicContact CD1-CD1 4.05Å; L421-I435 HydrophobicContact CD2-CD1 3.59Å; L421-I435 HydrophobicContact CG-CD1 4.49Å; I433-I435 HydrophobicContact CG2-CG1 4.01Å; I435-V437 HydrophobicContact CG2-CG2 4Å; I435-I460 HydrophobicContact CD1-CG2 4.42Å; I435-P461 PolarHBondContact N-O 3.06Å; I435-I462 HydrophobicContact CB-CB 4.45Å; I435-I462 HydrophobicContact CB-CG1 4.14Å; I435-I462 HydrophobicContact CB-CG2 4.25Å; I435-I462 HydrophobicContact CD1-CD1 4.14Å; I435-I462 HydrophobicContact CD1-CG1 4.15Å; I435-I462 HydrophobicContact CG1-CG1 4.46Å; I435-I462 HydrophobicContact CG2-CG2 4.22Å; I435-I462 WeakPolarHBondContact O-CA 3.34Å; I435-Y463 PolarHBondContact O-N 2.79Å |
| 436 | F | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 127.5 | 174 | -64.8 | -101.7 | 0 | 0 | 0 | 109.6 | V397 L398 L399 I400 R434 Y463 F465 I474 M477 A478 I484 | V397-F436 HydrophobicContact CG1-CD2 3.83Å; V397-F436 HydrophobicContact CG1-CE2 4.09Å; L398-F436 PolarHBondContact O-N 2.86Å; L399-F436 HydrophobicContact CD2-CB 3.96Å; L399-F436 HydrophobicContact CD2-CD2 4.33Å; L399-F436 HydrophobicContact CD2-CG 4.41Å; I400-F436 PolarHBondContact N-O 3.13Å; R434-F436 HydrophobicContact CB-CE2 4.04Å; F436-Y463 AromaticContact CD1-CD2 3.84Å; F436-Y463 HydrophobicContact CD1-CD2 3.84Å; F436-Y463 HydrophobicContact CD1-CG 4.19Å; F436-Y463 HydrophobicContact CD2-CD2 4.39Å; F436-Y463 AromaticContact CE1-CD2 3.49Å; F436-Y463 HydrophobicContact CE1-CD2 3.49Å; F436-Y463 VanDerWaalsContact CE1-CD2 3.49Å; F436-Y463 HydrophobicContact CE1-CE2 4.08Å; F436-Y463 HydrophobicContact CE1-CG 4Å; F436-Y463 HydrophobicContact CE2-CD2 4.09Å; F436-Y463 HydrophobicContact CE2-CE2 4.34Å; F436-Y463 HydrophobicContact CG-CD2 4.27Å; F436-Y463 AromaticContact CZ-CD2 3.63Å; F436-Y463 HydrophobicContact CZ-CD2 3.63Å; F436-Y463 AromaticContact CZ-CE2 3.82Å; F436-Y463 HydrophobicContact CZ-CE2 3.82Å; F436-F465 HydrophobicContact CD1-CE2 4.46Å; F436-I474 HydrophobicContact CB-CB 4.06Å; F436-I474 HydrophobicContact CB-CD1 4.31Å; F436-M477 HydrophobicContact CD1-CB 4.25Å; F436-M477 HydrophobicContact CE1-CB 3.91Å; F436-A478 HydrophobicContact CD2-CB 4Å; F436-A478 HydrophobicContact CE2-CB 3.88Å; F436-A478 HydrophobicContact CG-CB 4.47Å; F436-A478 HydrophobicContact CZ-CB 4.24Å; F436-I484 HydrophobicContact CE1-CD1 3.81Å; F436-I484 HydrophobicContact CE1-CG1 4.26Å; F436-I484 HydrophobicContact CZ-CD1 4.12Å |
| 437 | V | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 123.1 | -173 | -172.3 | 0 | 0 | 0 | 0 | 109.4 | I400 F414 I435 L448 M451 I462 Y463 V464 F465 | I400-V437 HydrophobicContact CB-CG1 4.41Å; I400-V437 HydrophobicContact CB-CG2 4.21Å; I400-V437 HydrophobicContact CD1-CG2 4.42Å; I400-V437 HydrophobicContact CG2-CG1 4.4Å; I400-V437 CarbonylContact O-C 3.5Å; I400-V437 VanDerWaalsContact O-CA 3.27Å; I400-V437 WeakPolarHBondContact O-CA 3.47Å; F414-V437 HydrophobicContact CE2-CG1 3.58Å; F414-V437 HydrophobicContact CZ-CG1 3.63Å; I435-V437 HydrophobicContact CG2-CG2 4Å; V437-L448 HydrophobicContact CG1-CD2 4.33Å; V437-M451 HydrophobicContact CG2-CE 3.52Å; V437-I462 HydrophobicContact CG2-CG2 3.93Å; V437-Y463 PolarHBondContact N-O 3.43Å; V437-V464 HydrophobicContact CB-CB 4.5Å; V437-V464 HydrophobicContact CB-CG1 4.36Å; V437-V464 HydrophobicContact CB-CG2 4.3Å; V437-V464 HydrophobicContact CG1-CG1 4.46Å; V437-V464 HydrophobicContact CG2-CG2 4.26Å; V437-F465 WeakPolarHBondContact O-CD2 3.48Å; V437-F465 PolarHBondContact O-N 2.96Å |
| 438 | R | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 114.8 | 168.9 | -171.1 | -76.8 | -177.5 | 166.7 | 3.8 | 109 | I400 G401 G402 F465 T469 I474 E765 | I400-R438 PolarHBondContact O-N 2.88Å; G401-R438 CarbonylContact C-O 3.59Å; G401-R438 WeakPolarHBondContact CA-O 3.33Å; G402-R438 PolarHBondContact N-O 2.96Å; G402-R438 PolarHBondContact O-NH1 2.93Å; R438-F465 WeakPolarHBondContact CA-O 3.34Å; R438-F465 HydrophobicContact CB-CB 4.43Å; R438-F465 HydrophobicContact CG-CB 4.35Å; R438-T469 PolarHBondContact NE-O 2.68Å; R438-T469 PolarHBondContact NH2-O 2.73Å; R438-T469 VanDerWaalsContact NH2-O 3.07Å; R438-I474 HydrophobicContact CB-CD1 3.69Å; R438-I474 HydrophobicContact CB-CG1 4.09Å; R438-I474 HydrophobicContact CB-CG2 3.85Å; R438-E765 IonicContact CZ-OE1 3.61Å; R438-E765 IonicContact CZ-OE2 3.57Å; R438-E765 IonicContact NH1-OE1 2.76Å; R438-E765 PolarHBondContact NH1-OE1 3.33Å; R438-E765 IonicContact NH1-OE2 2.81Å; R438-E765 PolarHBondContact NH1-OE2 2.91Å; R438-E765 IonicContact NH2-OE1 3.26Å; R438-E765 PolarHBondContact NH2-OE1 2.72Å; R438-E765 IonicContact NH2-OE2 2.79Å |
| 439 | R | 95 | Very high | 93.7 | Very high | 10 Ų | 10 | 33.3 Ų | 33.3 | 4% | 0.038 | 15% | 0.145 | C | C | . | . | trans | -154.5 | 149.4 | -180 | -155 | 70.4 | -160.4 | -179.8 | 8.6 | 113.2 | A328 G401 G403 I410 F414 F465 | A328-R439 VanDerWaalsContact CA-NH1 3.29Å; A328-R439 VanDerWaalsContact CB-NH2 3.32Å; A328-R439 PolarHBondContact O-NH1 3.42Å; A328-R439 PolarHBondContact O-NH2 2.94Å; G401-R439 PolarHBondContact O-NH1 2.93Å; G403-R439 PolarHBondContact O-NH2 3.42Å; I410-R439 HydrophobicContact CD1-CG 3.73Å; I410-R439 HydrophobicContact CG1-CG 4.29Å; I410-R439 HydrophobicContact CG2-CB 4.43Å; I410-R439 HydrophobicContact CG2-CG 3.98Å; F414-R439 HydrophobicContact CE1-CB 4.22Å; F414-R439 HydrophobicContact CE1-CG 4.06Å; F414-R439 HydrophobicContact CE2-CB 4.35Å; F414-R439 HydrophobicContact CZ-CB 3.56Å; F414-R439 HydrophobicContact CZ-CG 3.92Å; R439-F465 PolarHBondContact N-O 2.87Å | ||
| 440 | A | 93.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | -148.3 | 169.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | I404 A405 Y444 P467 | I404-A440 HydrophobicContact CB-CB 4.26Å; I404-A440 HydrophobicContact CD1-CB 4.47Å; I404-A440 HydrophobicContact CG1-CB 4.02Å; I404-A440 HydrophobicContact CG2-CB 3.91Å; A405-A440 PolarHBondContact N-O 3.09Å; A440-Y444 HydrophobicContact CB-CD2 4.44Å; A440-Y444 HydrophobicContact CB-CG 4.36Å; A440-P467 HydrophobicContact CB-CB 3.71Å; A440-P467 HydrophobicContact CB-CG 4.03Å |
| 441 | G | 92.3 | Very high | 93.6 | Very high | 6 Ų | 6 | 22.2 Ų | 22.2 | 6% | 0.062 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 126.4 | -166.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A405 N443 Y444 | A405-G441 WeakPolarHBondContact O-CA 3.42Å; G441-N443 PolarHBondContact O-N 2.86Å; G441-Y444 WeakPolarHBondContact O-CB 3.42Å; G441-Y444 WeakPolarHBondContact O-CD1 3.47Å; G441-Y444 PolarHBondContact O-N 2.91Å; G441-Y444 VanDerWaalsContact O-N 3.1Å |
| 442 | P | 90.5 | Very high | 93.4 | Very high | 12 Ų | 12 | 27.1 Ų | 27.1 | 8% | 0.078 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 124.1 | -177.7 | -29.5 | 34.7 | 0 | 0 | 0 | 113.4 | A405 T408 I410 Y444 M738 | A405-P442 WeakPolarHBondContact O-CD 3.4Å; T408-P442 WeakPolarHBondContact O-CD 3.21Å; I410-P442 WeakPolarHBondContact CB-O 3.38Å; I410-P442 PolarHBondContact N-O 2.97Å; P442-Y444 VanDerWaalsContact C-N 3.28Å; P442-Y444 PolarHBondContact O-N 3.05Å; P442-M738 VanDerWaalsContact CA-SD 3.57Å; P442-M738 HydrophobicContact CB-CG 4.24Å; P442-M738 HydrophobicContact CB-SD 3.66Å; P442-M738 HydrophobicContact CG-CG 4.28Å; P442-M738 HydrophobicContact CG-SD 4.33Å |
| 443 | N | 90.3 | Very high | 93.2 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 12% | 0.118 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 28.5 | 179.2 | -51.5 | -17.1 | 0 | 0 | 0 | 115.4 | N409 A411 G441 Q445 E446 G447 W939 | N409-N443 PolarHBondContact ND2-ND2 3.49Å; N409-N443 PolarHBondContact OD1-ND2 2.89Å; A411-N443 HydrophobicContact CB-CB 3.92Å; G441-N443 PolarHBondContact O-N 2.86Å; N443-Q445 VanDerWaalsContact C-N 3.29Å; N443-Q445 PolarHBondContact O-N 2.83Å; N443-E446 PolarHBondContact O-N 3.01Å; N443-G447 PolarHBondContact O-N 3.12Å; N443-W939 HydrophobicContact CB-CH2 4Å; N443-W939 HydrophobicContact CB-CZ3 3.74Å; N443-W939 VanDerWaalsContact CG-CZ3 3.46Å; N443-W939 WeakPolarHBondContact OD1-CZ3 3.03Å |
| 444 | Y | 91.9 | Very high | 93.1 | Very high | 43 Ų | 43 | 26.8 Ų | 26.8 | 17% | 0.169 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.4 | -30.5 | -178.4 | 79.8 | -80.1 | 0 | 0 | 0 | 113.7 | A440 G441 P442 E446 G447 L448 P467 | A440-Y444 HydrophobicContact CB-CD2 4.44Å; A440-Y444 HydrophobicContact CB-CG 4.36Å; G441-Y444 WeakPolarHBondContact O-CB 3.42Å; G441-Y444 WeakPolarHBondContact O-CD1 3.47Å; G441-Y444 PolarHBondContact O-N 2.91Å; G441-Y444 VanDerWaalsContact O-N 3.1Å; P442-Y444 VanDerWaalsContact C-N 3.28Å; P442-Y444 PolarHBondContact O-N 3.05Å; Y444-E446 VanDerWaalsContact C-N 3.29Å; Y444-E446 PolarHBondContact O-N 3.28Å; Y444-G447 PolarHBondContact O-N 2.56Å; Y444-L448 HydrophobicContact CD2-CD1 3.66Å; Y444-L448 HydrophobicContact CD2-CG 4.25Å; Y444-L448 HydrophobicContact CE2-CD1 4.12Å; Y444-L448 VanDerWaalsContact O-CG 3.29Å; Y444-L448 WeakPolarHBondContact O-CG 3.24Å; Y444-L448 PolarHBondContact O-N 3.44Å; Y444-P467 HydrophobicContact CE2-CG 3.96Å |
| 445 | Q | 89.9 | Confident | 92.8 | Very high | 52 Ų | 52 | 24.3 Ų | 24.3 | 24% | 0.243 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.8 | -45.6 | -179.8 | -59.3 | 86.6 | -19 | 0 | 0 | 110.7 | N443 R449 D740 | N443-Q445 VanDerWaalsContact C-N 3.29Å; N443-Q445 PolarHBondContact O-N 2.83Å; Q445-R449 WeakPolarHBondContact O-CB 3.36Å; Q445-R449 PolarHBondContact O-N 2.88Å; Q445-D740 PolarHBondContact NE2-OD2 3.09Å |
| 446 | E | 88 | Confident | 92.4 | Very high | 30 Ų | 30 | 34 Ų | 34 | 14% | 0.14 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.5 | -43.9 | 177.2 | 176.9 | 57.9 | -168.7 | 0 | 0 | 111.6 | A411 N443 Y444 L448 R449 I450 | A411-E446 HydrophobicContact CB-CB 4.11Å; A411-E446 HydrophobicContact CB-CG 3.99Å; N443-E446 PolarHBondContact O-N 3.01Å; Y444-E446 VanDerWaalsContact C-N 3.29Å; Y444-E446 PolarHBondContact O-N 3.28Å; E446-L448 PolarHBondContact O-N 3.25Å; E446-R449 WeakPolarHBondContact O-CB 3.3Å; E446-R449 PolarHBondContact O-N 2.67Å; E446-R449 VanDerWaalsContact O-N 3.17Å; E446-R449 IonicContact OE1-CZ 2.73Å; E446-R449 IonicContact OE1-NE 3.4Å; E446-R449 IonicContact OE1-NH2 3.95Å; E446-R449 PolarHBondContact OE1-NH2 3.36Å; E446-R449 IonicContact OE2-CZ 2.72Å; E446-R449 IonicContact OE2-NE 2.86Å; E446-R449 PolarHBondContact OE2-NE 2.8Å; E446-R449 IonicContact OE2-NH2 3.7Å; E446-R449 PolarHBondContact OE2-NH2 2.78Å; E446-I450 PolarHBondContact O-N 3.12Å |
| 447 | G | 91.7 | Very high | 92 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56 | -49.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F414 N443 Y444 R449 I450 M451 | F414-G447 VanDerWaalsContact CD2-C 3.49Å; F414-G447 VanDerWaalsContact CD2-O 3.31Å; F414-G447 WeakPolarHBondContact CD2-O 3.35Å; N443-G447 PolarHBondContact O-N 3.12Å; Y444-G447 PolarHBondContact O-N 2.56Å; G447-R449 VanDerWaalsContact C-N 3.31Å; G447-R449 PolarHBondContact O-N 3.08Å; G447-I450 WeakPolarHBondContact O-CG1 3.47Å; G447-I450 PolarHBondContact O-N 3.43Å; G447-M451 PolarHBondContact O-N 3.38Å |
| 448 | L | 93.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.4 | -34.6 | 178 | -62 | -176.7 | 0 | 0 | 0 | 112 | F414 V437 Y444 E446 M451 R452 V464 | F414-L448 HydrophobicContact CE2-CD2 3.98Å; V437-L448 HydrophobicContact CG1-CD2 4.33Å; Y444-L448 HydrophobicContact CD2-CD1 3.66Å; Y444-L448 HydrophobicContact CD2-CG 4.25Å; Y444-L448 HydrophobicContact CE2-CD1 4.12Å; Y444-L448 VanDerWaalsContact O-CG 3.29Å; Y444-L448 WeakPolarHBondContact O-CG 3.24Å; Y444-L448 PolarHBondContact O-N 3.44Å; E446-L448 PolarHBondContact O-N 3.25Å; L448-M451 PolarHBondContact O-N 3.2Å; L448-R452 WeakPolarHBondContact O-CG 3.16Å; L448-R452 PolarHBondContact O-N 3.43Å; L448-R452 VanDerWaalsContact O-N 3.11Å; L448-V464 HydrophobicContact CB-CG1 3.82Å; L448-V464 HydrophobicContact CD2-CG1 3.56Å; L448-V464 HydrophobicContact CG-CG1 4.17Å |
| 449 | R | 93.1 | Very high | 91.5 | Very high | 97 Ų | 97 | 45.6 Ų | 45.6 | 37% | 0.366 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.5 | -51.8 | 176 | -171.4 | -168.7 | 67.8 | 75.7 | 5.8 | 111.1 | Q445 E446 G447 M451 R452 E453 | Q445-R449 WeakPolarHBondContact O-CB 3.36Å; Q445-R449 PolarHBondContact O-N 2.88Å; E446-R449 WeakPolarHBondContact O-CB 3.3Å; E446-R449 PolarHBondContact O-N 2.67Å; E446-R449 VanDerWaalsContact O-N 3.17Å; E446-R449 IonicContact OE1-CZ 2.73Å; E446-R449 IonicContact OE1-NE 3.4Å; E446-R449 IonicContact OE1-NH2 3.95Å; E446-R449 PolarHBondContact OE1-NH2 3.36Å; E446-R449 IonicContact OE2-CZ 2.72Å; E446-R449 IonicContact OE2-NE 2.86Å; E446-R449 PolarHBondContact OE2-NE 2.8Å; E446-R449 IonicContact OE2-NH2 3.7Å; E446-R449 PolarHBondContact OE2-NH2 2.78Å; G447-R449 VanDerWaalsContact C-N 3.31Å; G447-R449 PolarHBondContact O-N 3.08Å; R449-M451 VanDerWaalsContact C-N 3.31Å; R449-M451 PolarHBondContact O-N 3.18Å; R449-R452 PolarHBondContact O-N 3.28Å; R449-E453 IonicContact CZ-OE1 3.68Å; R449-E453 IonicContact CZ-OE2 3.25Å; R449-E453 IonicContact NH1-OE1 2.96Å; R449-E453 PolarHBondContact NH1-OE1 3.38Å; R449-E453 IonicContact NH1-OE2 3.87Å; R449-E453 PolarHBondContact NH1-OE2 3.39Å; R449-E453 PolarHBondContact O-N 3.2Å |
| 450 | I | 92.6 | Very high | 91.3 | Very high | 21 Ų | 21 | 45.6 Ų | 45.6 | 11% | 0.108 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.6 | -35.2 | -179 | 61.3 | 175.2 | 0 | 0 | 0 | 112.4 | F414 K415 V418 E446 G447 E453 L454 | F414-I450 HydrophobicContact CB-CD1 3.95Å; F414-I450 HydrophobicContact CB-CG1 4.42Å; K415-I450 HydrophobicContact CG-CD1 3.77Å; V418-I450 HydrophobicContact CG2-CB 4.47Å; V418-I450 HydrophobicContact CG2-CD1 4.1Å; V418-I450 HydrophobicContact CG2-CG1 4.13Å; E446-I450 PolarHBondContact O-N 3.12Å; G447-I450 WeakPolarHBondContact O-CG1 3.47Å; G447-I450 PolarHBondContact O-N 3.43Å; I450-E453 PolarHBondContact O-N 3.08Å; I450-L454 WeakPolarHBondContact O-CB 3.36Å; I450-L454 PolarHBondContact O-N 2.55Å |
| 451 | M | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.5 | -37 | 175.2 | -74.8 | -63.9 | -71 | 0 | 0 | 113 | I400 F414 I417 V418 L421 V437 G447 L448 R449 L454 G455 I462 V464 | I400-M451 HydrophobicContact CD1-CE 3.9Å; F414-M451 HydrophobicContact CD2-CB 4.47Å; F414-M451 HydrophobicContact CD2-CG 3.36Å; F414-M451 HydrophobicContact CD2-SD 4.45Å; F414-M451 HydrophobicContact CE2-CG 3.75Å; F414-M451 HydrophobicContact CG-CG 4.22Å; I417-M451 HydrophobicContact CG2-CE 4.25Å; I417-M451 HydrophobicContact CG2-SD 4.11Å; V418-M451 HydrophobicContact CG2-CG 4.44Å; V418-M451 HydrophobicContact CG2-SD 3.64Å; L421-M451 HydrophobicContact CD1-CE 3.86Å; L421-M451 HydrophobicContact CD1-SD 4.31Å; V437-M451 HydrophobicContact CG2-CE 3.52Å; G447-M451 PolarHBondContact O-N 3.38Å; L448-M451 PolarHBondContact O-N 3.2Å; R449-M451 VanDerWaalsContact C-N 3.31Å; R449-M451 PolarHBondContact O-N 3.18Å; M451-L454 HydrophobicContact SD-CD2 4.42Å; M451-G455 PolarHBondContact O-N 2.79Å; M451-I462 HydrophobicContact CE-CG2 4.17Å; M451-V464 HydrophobicContact CB-CG1 4.4Å; M451-V464 HydrophobicContact CB-CG2 3.98Å |
| 452 | R | 92.8 | Very high | 91.4 | Very high | 108 Ų | 108 | 49 Ų | 49 | 41% | 0.408 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.6 | -41.3 | 175.6 | -72 | 179.7 | -165 | 117.2 | -2.9 | 111.8 | L448 R449 V464 | L448-R452 WeakPolarHBondContact O-CG 3.16Å; L448-R452 PolarHBondContact O-N 3.43Å; L448-R452 VanDerWaalsContact O-N 3.11Å; R449-R452 PolarHBondContact O-N 3.28Å; R452-V464 HydrophobicContact CG-CB 3.61Å; R452-V464 HydrophobicContact CG-CG1 3.96Å; R452-V464 HydrophobicContact CG-CG2 3.73Å |
| 453 | E | 91.1 | Very high | 91.6 | Very high | 83 Ų | 83 | 51.9 Ų | 51.9 | 39% | 0.388 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67 | -39.5 | 177 | -74.5 | 175.4 | -174.2 | 0 | 0 | 112 | R449 I450 G455 R456 T457 | R449-E453 IonicContact CZ-OE1 3.68Å; R449-E453 IonicContact CZ-OE2 3.25Å; R449-E453 IonicContact NH1-OE1 2.96Å; R449-E453 PolarHBondContact NH1-OE1 3.38Å; R449-E453 IonicContact NH1-OE2 3.87Å; R449-E453 PolarHBondContact NH1-OE2 3.39Å; R449-E453 PolarHBondContact O-N 3.2Å; I450-E453 PolarHBondContact O-N 3.08Å; E453-G455 PolarHBondContact O-N 2.97Å; E453-R456 PolarHBondContact O-N 3.16Å; E453-T457 PolarHBondContact O-N 3.26Å; E453-T457 VanDerWaalsContact O-N 3.08Å; E453-T457 PolarHBondContact O-OG1 2.87Å |
| 454 | L | 92.6 | Very high | 91.8 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.2 | -48.7 | 175.7 | 179.7 | 66.6 | 0 | 0 | 0 | 111.6 | V418 L421 T422 I450 M451 R456 T457 I458 I462 | V418-L454 HydrophobicContact CB-CD2 4.25Å; V418-L454 HydrophobicContact CG1-CD1 4.2Å; V418-L454 HydrophobicContact CG1-CD2 4.2Å; V418-L454 HydrophobicContact CG2-CD2 3.98Å; L421-L454 HydrophobicContact CB-CD2 3.7Å; L421-L454 HydrophobicContact CD1-CD2 3.68Å; L421-L454 HydrophobicContact CG-CD2 4.35Å; T422-L454 WeakPolarHBondContact OG1-CD1 3.41Å; I450-L454 WeakPolarHBondContact O-CB 3.36Å; I450-L454 PolarHBondContact O-N 2.55Å; M451-L454 HydrophobicContact SD-CD2 4.42Å; L454-R456 PolarHBondContact O-N 3.12Å; L454-R456 VanDerWaalsContact O-N 3.15Å; L454-T457 WeakPolarHBondContact O-CA 3.48Å; L454-T457 WeakPolarHBondContact O-CB 3.34Å; L454-T457 PolarHBondContact O-N 3.25Å; L454-I458 HydrophobicContact CD1-CD1 3.96Å; L454-I458 HydrophobicContact CD1-CG1 4.32Å; L454-I458 HydrophobicContact CD1-CG2 3.69Å; L454-I458 HydrophobicContact CD2-CD1 4.17Å; L454-I458 HydrophobicContact CG-CD1 3.82Å; L454-I458 HydrophobicContact CG-CG1 4.28Å; L454-I458 WeakPolarHBondContact O-CG1 3.47Å; L454-I458 PolarHBondContact O-N 3.22Å; L454-I462 HydrophobicContact CD2-CD1 4.15Å; L454-I462 HydrophobicContact CG-CD1 4.23Å |
| 455 | G | 88.6 | Confident | 91.9 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 13% | 0.134 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56 | -34.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M451 E453 D459 I460 | M451-G455 PolarHBondContact O-N 2.79Å; E453-G455 PolarHBondContact O-N 2.97Å; G455-D459 WeakPolarHBondContact O-CA 3.34Å; G455-D459 PolarHBondContact O-N 2.67Å; G455-I460 PolarHBondContact O-N 3.34Å |
| 456 | R | 88.6 | Confident | 92 | Very high | 204 Ų | 204 | 47.9 Ų | 47.9 | 77% | 0.77 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -73.2 | -34.3 | 173.7 | -62.6 | 177.3 | -178.2 | 162.5 | 0.2 | 112.9 | E453 L454 | E453-R456 PolarHBondContact O-N 3.16Å; L454-R456 PolarHBondContact O-N 3.12Å; L454-R456 VanDerWaalsContact O-N 3.15Å |
| 457 | T | 89.9 | Confident | 92.1 | Very high | 113 Ų | 113 | 47.6 Ų | 47.6 | 69% | 0.693 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -78.4 | -42.3 | -173.5 | -55.4 | 0 | 0 | 0 | 0 | 112 | E453 L454 | E453-T457 PolarHBondContact O-N 3.26Å; E453-T457 VanDerWaalsContact O-N 3.08Å; E453-T457 PolarHBondContact O-OG1 2.87Å; L454-T457 WeakPolarHBondContact O-CA 3.48Å; L454-T457 WeakPolarHBondContact O-CB 3.34Å; L454-T457 PolarHBondContact O-N 3.25Å |
| 458 | I | 92.2 | Very high | 91.8 | Very high | 10 Ų | 10 | 53.1 Ų | 53.1 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -93.6 | -5.4 | 179.7 | 69.1 | -177.2 | 0 | 0 | 0 | 113.1 | L421 K425 K429 L454 I460 I462 | L421-I458 HydrophobicContact CB-CD1 4.46Å; K425-I458 HydrophobicContact CB-CB 4.15Å; K425-I458 HydrophobicContact CB-CG2 4.26Å; K429-I458 WeakPolarHBondContact CE-O 3.46Å; K429-I458 PolarHBondContact NZ-O 3.42Å; L454-I458 HydrophobicContact CD1-CD1 3.96Å; L454-I458 HydrophobicContact CD1-CG1 4.32Å; L454-I458 HydrophobicContact CD1-CG2 3.69Å; L454-I458 HydrophobicContact CD2-CD1 4.17Å; L454-I458 HydrophobicContact CG-CD1 3.82Å; L454-I458 HydrophobicContact CG-CG1 4.28Å; L454-I458 WeakPolarHBondContact O-CG1 3.47Å; L454-I458 PolarHBondContact O-N 3.22Å; I458-I460 HydrophobicContact CB-CD1 4.49Å; I458-I460 HydrophobicContact CD1-CB 4.34Å; I458-I460 HydrophobicContact CD1-CD1 3.69Å; I458-I460 HydrophobicContact CD1-CG1 4.29Å; I458-I460 HydrophobicContact CG1-CB 4.06Å; I458-I460 HydrophobicContact CG1-CD1 3.86Å; I458-I460 HydrophobicContact CG1-CG1 3.98Å; I458-I462 HydrophobicContact CD1-CD1 4.45Å |
| 459 | D | 90 | Very high | 91.6 | Very high | 119 Ų | 119 | 53.9 Ų | 53.9 | 64% | 0.636 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 56.5 | 178.2 | 172.7 | 55.8 | 0 | 0 | 0 | 111.8 | K429 G455 | K429-D459 VanDerWaalsContact CE-O 3.24Å; K429-D459 WeakPolarHBondContact CE-O 3.45Å; K429-D459 IonicContact NZ-OD2 3.61Å; K429-D459 PolarHBondContact NZ-OD2 3.06Å; G455-D459 WeakPolarHBondContact O-CA 3.34Å; G455-D459 PolarHBondContact O-N 2.67Å |
| 460 | I | 90.8 | Very high | 91.5 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.051 | 25% | 0.248 | C | C | . | . | trans | -130.4 | 140.5 | 176.8 | -65.5 | 175.3 | 0 | 0 | 0 | 108 | L428 K429 I433 I435 G455 I458 I462 | L428-I460 HydrophobicContact CB-CD1 3.37Å; L428-I460 HydrophobicContact CD1-CD1 3.62Å; L428-I460 HydrophobicContact CG-CD1 4.14Å; K429-I460 HydrophobicContact CG-CD1 4.28Å; K429-I460 HydrophobicContact CG-CG1 3.97Å; I433-I460 WeakPolarHBondContact O-CG2 3.05Å; I435-I460 HydrophobicContact CD1-CG2 4.42Å; G455-I460 PolarHBondContact O-N 3.34Å; I458-I460 HydrophobicContact CB-CD1 4.49Å; I458-I460 HydrophobicContact CD1-CB 4.34Å; I458-I460 HydrophobicContact CD1-CD1 3.69Å; I458-I460 HydrophobicContact CD1-CG1 4.29Å; I458-I460 HydrophobicContact CG1-CB 4.06Å; I458-I460 HydrophobicContact CG1-CD1 3.86Å; I458-I460 HydrophobicContact CG1-CG1 3.98Å; I460-I462 HydrophobicContact CG2-CG1 4.46Å; I460-I462 PolarHBondContact O-N 2.78Å | ||
| 461 | P | 93 | Very high | 91.4 | Very high | 55 Ų | 55 | 49.8 Ų | 49.8 | 36% | 0.357 | 24% | 0.242 | S | C | . | . | trans | -65.2 | 100.8 | 177.7 | -19.7 | 32.5 | 0 | 0 | 0 | 112 | R434 I435 Y463 | R434-P461 HydrophobicContact CG-CB 4.24Å; R434-P461 HydrophobicContact CG-CG 4.36Å; I435-P461 PolarHBondContact N-O 3.06Å; P461-Y463 HydrophobicContact CB-CE2 3.93Å | ||
| 462 | I | 94.8 | Very high | 91.4 | Very high | 24 Ų | 24 | 49.9 Ų | 49.9 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 115.4 | 173.6 | -49.7 | -170.3 | 0 | 0 | 0 | 109.4 | I435 V437 M451 L454 I458 I460 V464 | I435-I462 HydrophobicContact CB-CB 4.45Å; I435-I462 HydrophobicContact CB-CG1 4.14Å; I435-I462 HydrophobicContact CB-CG2 4.25Å; I435-I462 HydrophobicContact CD1-CD1 4.14Å; I435-I462 HydrophobicContact CD1-CG1 4.15Å; I435-I462 HydrophobicContact CG1-CG1 4.46Å; I435-I462 HydrophobicContact CG2-CG2 4.22Å; I435-I462 WeakPolarHBondContact O-CA 3.34Å; V437-I462 HydrophobicContact CG2-CG2 3.93Å; M451-I462 HydrophobicContact CE-CG2 4.17Å; L454-I462 HydrophobicContact CD2-CD1 4.15Å; L454-I462 HydrophobicContact CG-CD1 4.23Å; I458-I462 HydrophobicContact CD1-CD1 4.45Å; I460-I462 HydrophobicContact CG2-CG1 4.46Å; I460-I462 PolarHBondContact O-N 2.78Å; I462-V464 HydrophobicContact CG2-CG2 3.74Å |
| 463 | Y | 95 | Very high | 91.4 | Very high | 73 Ų | 73 | 44.8 Ų | 44.8 | 29% | 0.286 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 120.3 | 178.3 | -53.5 | -80.5 | 0 | 0 | 0 | 109.8 | I435 F436 V437 P461 I484 | I435-Y463 PolarHBondContact O-N 2.79Å; F436-Y463 AromaticContact CD1-CD2 3.84Å; F436-Y463 HydrophobicContact CD1-CD2 3.84Å; F436-Y463 HydrophobicContact CD1-CG 4.19Å; F436-Y463 HydrophobicContact CD2-CD2 4.39Å; F436-Y463 AromaticContact CE1-CD2 3.49Å; F436-Y463 HydrophobicContact CE1-CD2 3.49Å; F436-Y463 VanDerWaalsContact CE1-CD2 3.49Å; F436-Y463 HydrophobicContact CE1-CE2 4.08Å; F436-Y463 HydrophobicContact CE1-CG 4Å; F436-Y463 HydrophobicContact CE2-CD2 4.09Å; F436-Y463 HydrophobicContact CE2-CE2 4.34Å; F436-Y463 HydrophobicContact CG-CD2 4.27Å; F436-Y463 AromaticContact CZ-CD2 3.63Å; F436-Y463 HydrophobicContact CZ-CD2 3.63Å; F436-Y463 AromaticContact CZ-CE2 3.82Å; F436-Y463 HydrophobicContact CZ-CE2 3.82Å; V437-Y463 PolarHBondContact N-O 3.43Å; P461-Y463 HydrophobicContact CB-CE2 3.93Å; Y463-I484 HydrophobicContact CD1-CD1 4.13Å; Y463-I484 HydrophobicContact CD1-CG2 3.71Å; Y463-I484 HydrophobicContact CD2-CD1 4.38Å; Y463-I484 HydrophobicContact CE1-CD1 3.85Å; Y463-I484 HydrophobicContact CE1-CG2 4.09Å; Y463-I484 HydrophobicContact CE2-CD1 4.13Å; Y463-I484 HydrophobicContact CG-CD1 4.38Å; Y463-I484 HydrophobicContact CG-CG2 4.41Å |
| 464 | V | 94.8 | Very high | 91.5 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 12% | 0.115 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 121.9 | -166.5 | -174.6 | 0 | 0 | 0 | 0 | 112.5 | V437 L448 M451 R452 I462 | V437-V464 HydrophobicContact CB-CB 4.5Å; V437-V464 HydrophobicContact CB-CG1 4.36Å; V437-V464 HydrophobicContact CB-CG2 4.3Å; V437-V464 HydrophobicContact CG1-CG1 4.46Å; V437-V464 HydrophobicContact CG2-CG2 4.26Å; L448-V464 HydrophobicContact CB-CG1 3.82Å; L448-V464 HydrophobicContact CD2-CG1 3.56Å; L448-V464 HydrophobicContact CG-CG1 4.17Å; M451-V464 HydrophobicContact CB-CG1 4.4Å; M451-V464 HydrophobicContact CB-CG2 3.98Å; R452-V464 HydrophobicContact CG-CB 3.61Å; R452-V464 HydrophobicContact CG-CG1 3.96Å; R452-V464 HydrophobicContact CG-CG2 3.73Å; I462-V464 HydrophobicContact CG2-CG2 3.74Å |
| 465 | F | 94.3 | Very high | 91.6 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 147 | -173.5 | -53 | -81.8 | 0 | 0 | 0 | 112.1 | F436 V437 R438 R439 T469 I474 M477 I484 P485 | F436-F465 HydrophobicContact CD1-CE2 4.46Å; V437-F465 WeakPolarHBondContact O-CD2 3.48Å; V437-F465 PolarHBondContact O-N 2.96Å; R438-F465 WeakPolarHBondContact CA-O 3.34Å; R438-F465 HydrophobicContact CB-CB 4.43Å; R438-F465 HydrophobicContact CG-CB 4.35Å; R439-F465 PolarHBondContact N-O 2.87Å; F465-T469 HydrophobicContact CB-CG2 4.08Å; F465-T469 HydrophobicContact CD1-CG2 4.27Å; F465-T469 HydrophobicContact CG-CG2 4.23Å; F465-I474 HydrophobicContact CD2-CG2 3.35Å; F465-I474 HydrophobicContact CE2-CG2 3.75Å; F465-I474 HydrophobicContact CG-CG2 4.13Å; F465-M477 HydrophobicContact CE1-CE 4.3Å; F465-M477 HydrophobicContact CE1-SD 4.08Å; F465-M477 HydrophobicContact CE2-SD 3.9Å; F465-M477 HydrophobicContact CZ-CE 4.33Å; F465-M477 HydrophobicContact CZ-SD 3.52Å; F465-M477 VanDerWaalsContact CZ-SD 3.52Å; F465-I484 HydrophobicContact CZ-CG2 4.27Å; F465-P485 HydrophobicContact CE1-CG 3.78Å |
| 466 | G | 91.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -105.3 | -160 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E468 T469 | G466-E468 WeakPolarHBondContact CA-OE1 3.44Å; G466-E468 WeakPolarHBondContact CA-OE2 3.49Å; G466-E468 PolarHBondContact N-OE1 3.46Å; G466-E468 PolarHBondContact O-N 3.45Å; G466-T469 PolarHBondContact O-N 3.37Å | ||
| 467 | P | 89.1 | Confident | 92 | Very high | 24 Ų | 24 | 31.1 Ų | 31.1 | 16% | 0.156 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -20.1 | -177.5 | 27 | -33 | 0 | 0 | 0 | 113.8 | I404 A440 Y444 T469 | I404-P467 HydrophobicContact CD1-CB 4.14Å; A440-P467 HydrophobicContact CB-CB 3.71Å; A440-P467 HydrophobicContact CB-CG 4.03Å; Y444-P467 HydrophobicContact CE2-CG 3.96Å; P467-T469 PolarHBondContact O-N 3.05Å |
| 468 | E | 86.4 | Confident | 92.1 | Very high | 115 Ų | 115 | 25.9 Ų | 25.9 | 54% | 0.537 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19.4 | 174.3 | 73.6 | -65.9 | 153.9 | 0 | 0 | 113.2 | G466 | G466-E468 WeakPolarHBondContact CA-OE1 3.44Å; G466-E468 WeakPolarHBondContact CA-OE2 3.49Å; G466-E468 PolarHBondContact N-OE1 3.46Å; G466-E468 PolarHBondContact O-N 3.45Å |
| 469 | T | 89.3 | Confident | 92 | Very high | 20 Ų | 20 | 26.9 Ų | 26.9 | 12% | 0.123 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -98.4 | 130.7 | 176.1 | -59.1 | 0 | 0 | 0 | 0 | 109.8 | R438 F465 G466 P467 M471 A473 M477 | R438-T469 PolarHBondContact NE-O 2.68Å; R438-T469 PolarHBondContact NH2-O 2.73Å; R438-T469 VanDerWaalsContact NH2-O 3.07Å; F465-T469 HydrophobicContact CB-CG2 4.08Å; F465-T469 HydrophobicContact CD1-CG2 4.27Å; F465-T469 HydrophobicContact CG-CG2 4.23Å; G466-T469 PolarHBondContact O-N 3.37Å; P467-T469 PolarHBondContact O-N 3.05Å; T469-M471 PolarHBondContact O-N 2.79Å; T469-A473 HydrophobicContact CG2-CB 3.93Å; T469-M477 HydrophobicContact CG2-CE 4.38Å |
| 470 | H | 90 | Very high | 91.9 | Very high | 33 Ų | 33 | 24 Ų | 24 | 15% | 0.153 | 14% | 0.138 | C | C | . | . | trans | -53.8 | 138.9 | 176 | -158 | -94.4 | 0 | 0 | 0 | 110.7 | T472 A473 D906 | H470-T472 VanDerWaalsContact C-N 3.31Å; H470-T472 PolarHBondContact ND1-OG1 3.2Å; H470-T472 PolarHBondContact O-N 2.92Å; H470-A473 HydrophobicContact CB-CB 4.16Å; H470-A473 VanDerWaalsContact O-CB 3.32Å; H470-A473 WeakPolarHBondContact O-CB 3.47Å; H470-A473 PolarHBondContact O-N 2.87Å; H470-D906 IonicContact CD2-OD2 2.82Å | ||
| 471 | M | 91.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -50.3 | -168.7 | -174.6 | 178.1 | 72.6 | 0 | 0 | 113.2 | A332 I335 Y336 T469 M762 E765 F902 | A332-M471 HydrophobicContact CB-SD 4.2Å; I335-M471 HydrophobicContact CB-CE 3.77Å; I335-M471 HydrophobicContact CD1-CE 3.77Å; I335-M471 HydrophobicContact CG1-CE 4.4Å; I335-M471 HydrophobicContact CG2-CE 3.4Å; I335-M471 VanDerWaalsContact CG2-CE 3.4Å; Y336-M471 HydrophobicContact CE2-CE 4.44Å; Y336-M471 HydrophobicContact CE2-CG 3.67Å; Y336-M471 HydrophobicContact CE2-SD 4.13Å; Y336-M471 PolarHBondContact OH-O 2.88Å; T469-M471 PolarHBondContact O-N 2.79Å; M471-M762 HydrophobicContact CE-CE 3.73Å; M471-M762 HydrophobicContact CE-SD 4.01Å; M471-M762 HydrophobicContact SD-CE 4.07Å; M471-M762 HydrophobicContact SD-SD 3.98Å; M471-E765 HydrophobicContact SD-CG 4.33Å; M471-F902 HydrophobicContact CE-CD1 4.29Å; M471-F902 HydrophobicContact CE-CE1 3.79Å; M471-F902 HydrophobicContact CE-CZ 4.36Å |
| 472 | T | 92.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -5.6 | -174.8 | 46.3 | 0 | 0 | 0 | 0 | 114.2 | I335 T339 H470 I474 V475 F902 D903 | I335-T472 HydrophobicContact CG2-CG2 3.52Å; T339-T472 HydrophobicContact CG2-CG2 4.44Å; T339-T472 VanDerWaalsContact OG1-CG2 3.28Å; T339-T472 WeakPolarHBondContact OG1-CG2 3.23Å; H470-T472 VanDerWaalsContact C-N 3.31Å; H470-T472 PolarHBondContact ND1-OG1 3.2Å; H470-T472 PolarHBondContact O-N 2.92Å; T472-I474 PolarHBondContact O-N 3.26Å; T472-I474 VanDerWaalsContact O-N 3.09Å; T472-V475 VanDerWaalsContact O-CB 3.28Å; T472-V475 WeakPolarHBondContact O-CB 3.45Å; T472-V475 WeakPolarHBondContact O-CG2 3.4Å; T472-V475 PolarHBondContact O-N 3.2Å; T472-F902 HydrophobicContact CG2-CD1 4.31Å; T472-D903 WeakPolarHBondContact CB-OD1 3.47Å; T472-D903 VanDerWaalsContact OG1-CG 3.29Å; T472-D903 PolarHBondContact OG1-OD1 3.19Å |
| 473 | A | 92.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 2% | 0.017 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.1 | -29.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T469 H470 V475 S476 M477 | T469-A473 HydrophobicContact CG2-CB 3.93Å; H470-A473 HydrophobicContact CB-CB 4.16Å; H470-A473 VanDerWaalsContact O-CB 3.32Å; H470-A473 WeakPolarHBondContact O-CB 3.47Å; H470-A473 PolarHBondContact O-N 2.87Å; A473-V475 PolarHBondContact O-N 3.18Å; A473-S476 PolarHBondContact O-N 3.02Å; A473-M477 HydrophobicContact CB-CE 4.2Å; A473-M477 WeakPolarHBondContact O-CG 3.27Å; A473-M477 PolarHBondContact O-N 2.87Å |
| 474 | I | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.6 | -24 | 176.3 | 59.5 | 162.6 | 0 | 0 | 0 | 113.3 | Y336 F436 R438 F465 T472 A478 | Y336-I474 HydrophobicContact CE1-CD1 3.74Å; Y336-I474 HydrophobicContact CE1-CG1 3.8Å; F436-I474 HydrophobicContact CB-CB 4.06Å; F436-I474 HydrophobicContact CB-CD1 4.31Å; R438-I474 HydrophobicContact CB-CD1 3.69Å; R438-I474 HydrophobicContact CB-CG1 4.09Å; R438-I474 HydrophobicContact CB-CG2 3.85Å; F465-I474 HydrophobicContact CD2-CG2 3.35Å; F465-I474 HydrophobicContact CE2-CG2 3.75Å; F465-I474 HydrophobicContact CG-CG2 4.13Å; T472-I474 PolarHBondContact O-N 3.26Å; T472-I474 VanDerWaalsContact O-N 3.09Å; I474-A478 WeakPolarHBondContact O-CB 3.28Å; I474-A478 PolarHBondContact O-N 3.15Å |
| 475 | V | 94.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.4 | -49.3 | 174 | -169.6 | 0 | 0 | 0 | 0 | 109.3 | Y336 T339 V340 L343 L399 T472 A473 M477 A478 F479 | Y336-V475 HydrophobicContact CD1-CG2 3.65Å; Y336-V475 HydrophobicContact CE1-CG2 3.94Å; T339-V475 HydrophobicContact CG2-CB 3.84Å; T339-V475 HydrophobicContact CG2-CG1 3.91Å; T339-V475 HydrophobicContact CG2-CG2 4.12Å; V340-V475 HydrophobicContact CB-CG1 4.38Å; V340-V475 HydrophobicContact CG2-CG1 3.57Å; V340-V475 HydrophobicContact CG2-CG2 4.46Å; L343-V475 HydrophobicContact CD1-CB 4.36Å; L343-V475 HydrophobicContact CD1-CG1 4.01Å; L399-V475 HydrophobicContact CD1-CG1 4.43Å; L399-V475 HydrophobicContact CD1-CG2 4.13Å; T472-V475 VanDerWaalsContact O-CB 3.28Å; T472-V475 WeakPolarHBondContact O-CB 3.45Å; T472-V475 WeakPolarHBondContact O-CG2 3.4Å; T472-V475 PolarHBondContact O-N 3.2Å; A473-V475 PolarHBondContact O-N 3.18Å; V475-M477 VanDerWaalsContact C-N 3.28Å; V475-M477 PolarHBondContact O-N 3.46Å; V475-A478 WeakPolarHBondContact O-CB 3.48Å; V475-A478 PolarHBondContact O-N 3.29Å; V475-A478 VanDerWaalsContact O-N 3.07Å; V475-F479 HydrophobicContact CG1-CD2 4.06Å; V475-F479 HydrophobicContact CG1-CE2 3.94Å; V475-F479 WeakPolarHBondContact O-CD2 3.4Å; V475-F479 PolarHBondContact O-N 2.99Å; V475-F479 VanDerWaalsContact O-N 3.12Å |
| 476 | S | 91.9 | Very high | 88.8 | Confident | 17 Ų | 17 | 44.1 Ų | 44.1 | 12% | 0.119 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.2 | -36.6 | 176.7 | -41.7 | 0 | 0 | 0 | 0 | 112 | L343 A473 G480 L481 R482 | L343-S476 WeakPolarHBondContact CD1-OG 3.12Å; A473-S476 PolarHBondContact O-N 3.02Å; S476-G480 PolarHBondContact O-N 3.12Å; S476-L481 PolarHBondContact O-N 2.66Å; S476-R482 PolarHBondContact O-N 2.93Å |
| 477 | M | 93.6 | Very high | 87.2 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 172.8 | -67.7 | 173.6 | -164 | 0 | 0 | 112.5 | F436 F465 T469 A473 V475 F479 G480 R482 I484 | F436-M477 HydrophobicContact CD1-CB 4.25Å; F436-M477 HydrophobicContact CE1-CB 3.91Å; F465-M477 HydrophobicContact CE1-CE 4.3Å; F465-M477 HydrophobicContact CE1-SD 4.08Å; F465-M477 HydrophobicContact CE2-SD 3.9Å; F465-M477 HydrophobicContact CZ-CE 4.33Å; F465-M477 HydrophobicContact CZ-SD 3.52Å; F465-M477 VanDerWaalsContact CZ-SD 3.52Å; T469-M477 HydrophobicContact CG2-CE 4.38Å; A473-M477 HydrophobicContact CB-CE 4.2Å; A473-M477 WeakPolarHBondContact O-CG 3.27Å; A473-M477 PolarHBondContact O-N 2.87Å; V475-M477 VanDerWaalsContact C-N 3.28Å; V475-M477 PolarHBondContact O-N 3.46Å; M477-F479 VanDerWaalsContact C-N 3.33Å; M477-F479 PolarHBondContact O-N 3Å; M477-G480 PolarHBondContact O-N 2.78Å; M477-R482 HydrophobicContact CG-CB 4.15Å; M477-R482 HydrophobicContact CG-CG 4.36Å; M477-I484 HydrophobicContact CB-CG1 4.09Å; M477-I484 HydrophobicContact CG-CG1 4.34Å |
| 478 | A | 92.6 | Very high | 85.2 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V397 L399 R434 F436 I474 V475 G480 | V397-A478 HydrophobicContact CG1-CB 3.83Å; L399-A478 HydrophobicContact CD2-CB 3.95Å; R434-A478 PolarHBondContact NH2-O 3.09Å; F436-A478 HydrophobicContact CD2-CB 4Å; F436-A478 HydrophobicContact CE2-CB 3.88Å; F436-A478 HydrophobicContact CG-CB 4.47Å; F436-A478 HydrophobicContact CZ-CB 4.24Å; I474-A478 WeakPolarHBondContact O-CB 3.28Å; I474-A478 PolarHBondContact O-N 3.15Å; V475-A478 WeakPolarHBondContact O-CB 3.48Å; V475-A478 PolarHBondContact O-N 3.29Å; V475-A478 VanDerWaalsContact O-N 3.07Å; A478-G480 VanDerWaalsContact C-N 3.28Å |
| 479 | F | 90.2 | Very high | 82.8 | Confident | 30 Ų | 30 | 55.8 Ų | 55.8 | 13% | 0.132 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -8.5 | 172.3 | -77.9 | -75.5 | 0 | 0 | 0 | 113.9 | I323 V340 L343 A344 V347 V475 M477 L481 | I323-F479 HydrophobicContact CD1-CD1 4.48Å; I323-F479 HydrophobicContact CD1-CE1 3.59Å; I323-F479 HydrophobicContact CD1-CE2 3.63Å; I323-F479 HydrophobicContact CD1-CZ 3.08Å; V340-F479 HydrophobicContact CG1-CE2 4.46Å; V340-F479 HydrophobicContact CG1-CZ 4.39Å; L343-F479 HydrophobicContact CB-CD2 3.92Å; L343-F479 HydrophobicContact CB-CE2 3.91Å; L343-F479 HydrophobicContact CD1-CD2 4.29Å; A344-F479 HydrophobicContact CB-CE1 4.19Å; A344-F479 HydrophobicContact CB-CZ 3.83Å; V347-F479 HydrophobicContact CG2-CB 4.38Å; V347-F479 HydrophobicContact CG2-CD1 4.05Å; V347-F479 HydrophobicContact CG2-CG 4.4Å; V475-F479 HydrophobicContact CG1-CD2 4.06Å; V475-F479 HydrophobicContact CG1-CE2 3.94Å; V475-F479 WeakPolarHBondContact O-CD2 3.4Å; V475-F479 PolarHBondContact O-N 2.99Å; V475-F479 VanDerWaalsContact O-N 3.12Å; M477-F479 VanDerWaalsContact C-N 3.33Å; M477-F479 PolarHBondContact O-N 3Å; F479-L481 VanDerWaalsContact C-N 3.29Å; F479-L481 HydrophobicContact CB-CD1 4.13Å; F479-L481 HydrophobicContact CB-CG 4Å |
| 480 | G | 87.2 | Confident | 80.3 | Confident | 60 Ų | 60 | 60.1 Ų | 60.1 | 62% | 0.619 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 13.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | S476 M477 A478 | S476-G480 PolarHBondContact O-N 3.12Å; M477-G480 PolarHBondContact O-N 2.78Å; A478-G480 VanDerWaalsContact C-N 3.28Å |
| 481 | L | 87.1 | Confident | 77.4 | Confident | 101 Ų | 101 | 64.5 Ų | 64.5 | 53% | 0.529 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -79.3 | -20.6 | 177.2 | -62 | 175.4 | 0 | 0 | 0 | 112.6 | L343 V347 S476 F479 | L343-L481 HydrophobicContact CB-CD1 4.33Å; L343-L481 HydrophobicContact CD1-CD1 4.28Å; L343-L481 HydrophobicContact CD2-CD1 3.89Å; L343-L481 HydrophobicContact CG-CD1 4.4Å; V347-L481 HydrophobicContact CG2-CD1 3.93Å; V347-L481 HydrophobicContact CG2-CD2 4.06Å; V347-L481 HydrophobicContact CG2-CG 4.22Å; S476-L481 PolarHBondContact O-N 2.66Å; F479-L481 VanDerWaalsContact C-N 3.29Å; F479-L481 HydrophobicContact CB-CD1 4.13Å; F479-L481 HydrophobicContact CB-CG 4Å |
| 482 | R | 87 | Confident | 74.6 | Confident | 135 Ų | 135 | 69.6 Ų | 69.6 | 51% | 0.509 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -127.3 | 134.8 | 175.9 | -173 | 173.4 | -177.1 | 164.4 | 1.6 | 109.7 | S476 M477 I484 | S476-R482 PolarHBondContact O-N 2.93Å; M477-R482 HydrophobicContact CG-CB 4.15Å; M477-R482 HydrophobicContact CG-CG 4.36Å; R482-I484 PolarHBondContact O-N 2.97Å |
| 483 | Q | 87.1 | Confident | 71.6 | Confident | 172 Ų | 172 | 76.8 Ų | 76.8 | 80% | 0.804 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 132.6 | 175.2 | -170 | 178 | 11.8 | 0 | 0 | 110 | P485 | Q483-P485 WeakPolarHBondContact O-CD 3.43Š|
| 484 | I | 88.2 | Confident | 68.9 | Low | 49 Ų | 49 | 79.1 Ų | 79.1 | 25% | 0.251 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 116.5 | 171.3 | -61.2 | 171.2 | 0 | 0 | 0 | 106.7 | F436 Y463 F465 M477 R482 | F436-I484 HydrophobicContact CE1-CD1 3.81Å; F436-I484 HydrophobicContact CE1-CG1 4.26Å; F436-I484 HydrophobicContact CZ-CD1 4.12Å; Y463-I484 HydrophobicContact CD1-CD1 4.13Å; Y463-I484 HydrophobicContact CD1-CG2 3.71Å; Y463-I484 HydrophobicContact CD2-CD1 4.38Å; Y463-I484 HydrophobicContact CE1-CD1 3.85Å; Y463-I484 HydrophobicContact CE1-CG2 4.09Å; Y463-I484 HydrophobicContact CE2-CD1 4.13Å; Y463-I484 HydrophobicContact CG-CD1 4.38Å; Y463-I484 HydrophobicContact CG-CG2 4.41Å; F465-I484 HydrophobicContact CZ-CG2 4.27Å; M477-I484 HydrophobicContact CB-CG1 4.09Å; M477-I484 HydrophobicContact CG-CG1 4.34Å; R482-I484 PolarHBondContact O-N 2.97Å |
| 485 | P | 81.3 | Confident | 66.1 | Low | 57 Ų | 57 | 81.8 Ų | 81.8 | 37% | 0.37 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 145 | 178.1 | 26.8 | -33.1 | 0 | 0 | 0 | 109 | F465 Q483 | F465-P485 HydrophobicContact CE1-CG 3.78Å; Q483-P485 WeakPolarHBondContact O-CD 3.43Å |
| 486 | P | 67.3 | Low | 63.2 | Low | 102 Ų | 102 | 84.5 Ų | 84.5 | 66% | 0.662 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 149.2 | 174.7 | 25.7 | -33.3 | 0 | 0 | 0 | 108.6 | Q488 | P486-Q488 PolarHBondContact O-N 3.01Š|
| 487 | P | 57 | Low | 60.4 | Low | 120 Ų | 120 | 86.8 Ų | 86.8 | 78% | 0.779 | 48% | 0.481 | S | S | * | . | trans | -52.1 | 112.8 | 176.4 | -17.9 | 27.7 | 0 | 0 | 0 | 107.4 | V489 | P487-V489 VanDerWaalsContact C-N 3.31Å; P487-V489 PolarHBondContact O-N 2.96Å | ||
| 488 | Q | 48.7 | Very low | 57.7 | Low | 146 Ų | 146 | 87.7 Ų | 87.7 | 68% | 0.682 | 49% | 0.488 | S | S | * | . | trans | -61.1 | 107.7 | 169.1 | -76.8 | -178.8 | -9.7 | 0 | 0 | 104.6 | P486 N490 | P486-Q488 PolarHBondContact O-N 3.01Å; Q488-N490 PolarHBondContact O-N 3.44Å | ||
| 489 | V | 34.8 | Very low | 55.1 | Low | 118 Ų | 118 | 91.8 Ų | 91.8 | 72% | 0.715 | 51% | 0.509 | S | S | * | . | trans | -67.5 | 81.2 | 163 | -175.8 | 0 | 0 | 0 | 0 | 103.6 | P487 Q491 | P487-V489 VanDerWaalsContact C-N 3.31Å; P487-V489 PolarHBondContact O-N 2.96Å; V489-Q491 HydrophobicContact CG1-CG 4.27Å; V489-Q491 PolarHBondContact O-N 3.27Å | ||
| 490 | N | 36.8 | Very low | 52.4 | Low | 112 Ų | 112 | 93.8 Ų | 93.8 | 60% | 0.599 | 53% | 0.527 | S | S | * | . | trans | -61.1 | 100.1 | 156.1 | -80.7 | -2.6 | 0 | 0 | 0 | 103.4 | Q488 I492 | Q488-N490 PolarHBondContact O-N 3.44Å; N490-I492 HydrophobicContact CB-CG1 4.33Å; N490-I492 PolarHBondContact O-N 3.14Å | ||
| 491 | Q | 29.1 | Very low | 50.1 | Low | 124 Ų | 124 | 97.7 Ų | 97.7 | 58% | 0.579 | 53% | 0.533 | S | S | * | . | trans | -58.2 | 79 | 153.9 | -70.7 | -178.6 | -14.2 | 0 | 0 | 105.5 | V489 Q493 | V489-Q491 HydrophobicContact CG1-CG 4.27Å; V489-Q491 PolarHBondContact O-N 3.27Å; Q491-Q493 HydrophobicContact CB-CB 4.5Å; Q491-Q493 HydrophobicContact CB-CG 4.05Å; Q491-Q493 HydrophobicContact CG-CG 4.13Å; Q491-Q493 PolarHBondContact O-N 3.39Å | ||
| 492 | I | 33.6 | Very low | 47.7 | Very low | 107 Ų | 107 | 96.5 Ų | 96.5 | 55% | 0.549 | 52% | 0.522 | S | S | . | . | trans | -89.3 | 71.6 | 144.3 | -56.2 | 172.4 | 0 | 0 | 0 | 102 | N490 | N490-I492 HydrophobicContact CB-CG1 4.33Å; N490-I492 PolarHBondContact O-N 3.14Å | ||
| 493 | Q | 30.2 | Very low | 44.9 | Very low | 152 Ų | 152 | 92.9 Ų | 92.9 | 71% | 0.71 | 52% | 0.518 | S | S | * | . | trans | -81.6 | -6.9 | 177.1 | -82.2 | -175.5 | -15.7 | 0 | 0 | 110.4 | Q491 D497 | Q491-Q493 HydrophobicContact CB-CB 4.5Å; Q491-Q493 HydrophobicContact CB-CG 4.05Å; Q491-Q493 HydrophobicContact CG-CG 4.13Å; Q491-Q493 PolarHBondContact O-N 3.39Å; Q493-D497 PolarHBondContact N-OD2 3.08Å | ||
| 494 | S | 35 | Very low | 42.3 | Very low | 52 Ų | 52 | 94.7 Ų | 94.7 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -152.5 | 160 | 173.5 | 72.2 | 0 | 0 | 0 | 0 | 112 | A496 D497 | S494-A496 PolarHBondContact O-N 3.45Å; S494-A496 WeakPolarHBondContact OG-CB 3.35Å; S494-A496 PolarHBondContact OG-N 2.79Å; S494-D497 PolarHBondContact N-OD2 3.25Å; S494-D497 PolarHBondContact O-N 3.26Å |
| 495 | S | 34.7 | Very low | 39.3 | Very low | 56 Ų | 56 | 99 Ų | 99 | 39% | 0.392 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -52.1 | -20.5 | 166.9 | 47 | 0 | 0 | 0 | 0 | 113.7 | S498 L499 L945 | S495-S498 WeakPolarHBondContact CA-OG 3.26Å; S495-S498 PolarHBondContact O-OG 2.82Å; S495-L499 PolarHBondContact O-N 2.87Å; S495-L945 VanDerWaalsContact CB-CD2 3.47Å; S495-L945 VanDerWaalsContact O-CD2 3.26Å; S495-L945 WeakPolarHBondContact O-CD2 3.28Å |
| 496 | A | 34.4 | Very low | 36.7 | Very low | 57 Ų | 57 | 99.6 Ų | 99.6 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -72 | -31.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S494 L499 S500 | S494-A496 PolarHBondContact O-N 3.45Å; S494-A496 WeakPolarHBondContact OG-CB 3.35Å; S494-A496 PolarHBondContact OG-N 2.79Å; A496-L499 WeakPolarHBondContact O-CB 3.28Å; A496-L499 PolarHBondContact O-N 3.38Å; A496-S500 PolarHBondContact O-N 2.83Å |
| 497 | D | 33.5 | Very low | 34.9 | Very low | 64 Ų | 64 | 100.7 Ų | 100.7 | 34% | 0.342 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.9 | -38.2 | -179.3 | -60.5 | -44.4 | 0 | 0 | 0 | 111.1 | Q493 S494 L499 S500 | Q493-D497 PolarHBondContact N-OD2 3.08Å; S494-D497 PolarHBondContact N-OD2 3.25Å; S494-D497 PolarHBondContact O-N 3.26Å; D497-L499 VanDerWaalsContact C-N 3.27Å; D497-L499 PolarHBondContact O-N 2.95Å; D497-S500 WeakPolarHBondContact O-CB 3.33Å; D497-S500 PolarHBondContact O-N 2.98Å; D497-S500 VanDerWaalsContact O-N 3.15Å; D497-S500 PolarHBondContact O-OG 3.48Å |
| 498 | S | 35.5 | Very low | 33.5 | Very low | 25 Ų | 25 | 98.1 Ų | 98.1 | 18% | 0.175 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -62.2 | -30 | 171.9 | 23.9 | 0 | 0 | 0 | 0 | 113.4 | S495 S500 Y502 L945 | S495-S498 WeakPolarHBondContact CA-OG 3.26Å; S495-S498 PolarHBondContact O-OG 2.82Å; S498-S500 VanDerWaalsContact C-N 3.35Å; S498-Y502 VanDerWaalsContact O-CD2 3.27Å; S498-Y502 WeakPolarHBondContact O-CD2 3.24Å; S498-L945 WeakPolarHBondContact OG-CD2 3.5Å |
| 499 | L | 38.4 | Very low | 32.4 | Very low | 88 Ų | 88 | 97.4 Ų | 97.4 | 46% | 0.461 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -72.5 | -25.9 | 174.9 | -86.6 | 156.1 | 0 | 0 | 0 | 112.9 | S495 A496 D497 L501 Y502 S503 | S495-L499 PolarHBondContact O-N 2.87Å; A496-L499 WeakPolarHBondContact O-CB 3.28Å; A496-L499 PolarHBondContact O-N 3.38Å; D497-L499 VanDerWaalsContact C-N 3.27Å; D497-L499 PolarHBondContact O-N 2.95Å; L499-L501 VanDerWaalsContact C-N 3.29Å; L499-L501 PolarHBondContact O-N 2.98Å; L499-Y502 PolarHBondContact O-N 2.96Å; L499-S503 PolarHBondContact O-N 3.33Å; L499-S503 PolarHBondContact O-OG 3.45Å |
| 500 | S | 33.4 | Very low | 31.9 | Very low | 73 Ų | 73 | 100.2 Ų | 100.2 | 51% | 0.51 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.4 | -25.9 | 178.9 | 76.2 | 0 | 0 | 0 | 0 | 113.2 | A496 D497 S498 Y502 | A496-S500 PolarHBondContact O-N 2.83Å; D497-S500 WeakPolarHBondContact O-CB 3.33Å; D497-S500 PolarHBondContact O-N 2.98Å; D497-S500 VanDerWaalsContact O-N 3.15Å; D497-S500 PolarHBondContact O-OG 3.48Å; S498-S500 VanDerWaalsContact C-N 3.35Å; S500-Y502 VanDerWaalsContact C-N 3.27Å; S500-Y502 PolarHBondContact O-N 3.38Å |
| 501 | L | 38.6 | Very low | 31.6 | Very low | 142 Ų | 142 | 104 Ų | 104 | 74% | 0.743 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -24.9 | 173.8 | -121.4 | 83 | 0 | 0 | 0 | 112.7 | L499 | L499-L501 VanDerWaalsContact C-N 3.29Å; L499-L501 PolarHBondContact O-N 2.98Å |
| 502 | Y | 36.8 | Very low | 31.6 | Very low | 75 Ų | 75 | 106.4 Ų | 106.4 | 29% | 0.294 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.7 | -11.1 | -179.9 | -66.6 | -78.1 | 0 | 0 | 0 | 113.3 | S498 L499 S500 D740 M935 | S498-Y502 VanDerWaalsContact O-CD2 3.27Å; S498-Y502 WeakPolarHBondContact O-CD2 3.24Å; L499-Y502 PolarHBondContact O-N 2.96Å; S500-Y502 VanDerWaalsContact C-N 3.27Å; S500-Y502 PolarHBondContact O-N 3.38Å; Y502-D740 HydrophobicContact CE1-CB 4.23Å; Y502-M935 HydrophobicContact CD1-CE 4.22Å; Y502-M935 HydrophobicContact CD2-CE 3.34Å; Y502-M935 HydrophobicContact CE1-CE 4.24Å; Y502-M935 HydrophobicContact CE2-CE 3.37Å; Y502-M935 HydrophobicContact CG-CE 3.8Å |
| 503 | S | 28.1 | Very low | 31.3 | Very low | 60 Ų | 60 | 108.1 Ų | 108.1 | 42% | 0.42 | 61% | 0.611 | S | S | . | * | trans | -108.8 | 91 | 170.9 | 39.9 | 0 | 0 | 0 | 0 | 109.5 | L499 N505 | L499-S503 PolarHBondContact O-N 3.33Å; L499-S503 PolarHBondContact O-OG 3.45Å; S503-N505 PolarHBondContact O-N 2.85Å | ||
| 504 | Y | 32.1 | Very low | 31.3 | Very low | 210 Ų | 210 | 105.9 Ų | 105.9 | 82% | 0.824 | 61% | 0.612 | S | S | * | * | trans | -67.1 | 82.6 | 167.7 | -136 | -86.7 | 0 | 0 | 0 | 108.6 | G506 | Y504-G506 PolarHBondContact O-N 2.84Š| ||
| 505 | N | 26.4 | Very low | 31 | Very low | 140 Ų | 140 | 109.3 Ų | 109.3 | 75% | 0.749 | 63% | 0.627 | S | S | * | * | trans | -74.6 | 103 | 165.4 | -89.7 | -13.5 | 0 | 0 | 0 | 107.5 | S503 S507 | S503-N505 PolarHBondContact O-N 2.85Å; N505-S507 PolarHBondContact O-N 3.45Å | ||
| 506 | G | 27.4 | Very low | 30.7 | Very low | 69 Ų | 69 | 115 Ų | 115 | 71% | 0.711 | 64% | 0.644 | S | S | * | * | trans | -51.9 | 107.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y504 G508 | Y504-G506 PolarHBondContact O-N 2.84Å; G506-G508 VanDerWaalsContact C-N 3.28Å; G506-G508 PolarHBondContact O-N 3.32Å | ||
| 507 | S | 28.8 | Very low | 30.5 | Very low | 125 Ų | 125 | 118 Ų | 118 | 87% | 0.874 | 66% | 0.662 | S | S | * | * | trans | -76.7 | 86.2 | 170.6 | -56.9 | 0 | 0 | 0 | 0 | 107.6 | N505 | N505-S507 PolarHBondContact O-N 3.45Š| ||
| 508 | G | 27 | Very low | 30.2 | Very low | 65 Ų | 65 | 121.3 Ų | 121.3 | 67% | 0.67 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 127.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | G506 E510 | G506-G508 VanDerWaalsContact C-N 3.28Å; G506-G508 PolarHBondContact O-N 3.32Å; G508-E510 PolarHBondContact O-N 2.88Å |
| 509 | C | 24.8 | Very low | 30.2 | Very low | 132 Ų | 132 | 125.2 Ų | 125.2 | 89% | 0.892 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 121.5 | 167.8 | -83.5 | 0 | 0 | 0 | 0 | 110.1 | H511 | C509-H511 PolarHBondContact O-N 3.36Š|
| 510 | E | 24.9 | Very low | 29.6 | Very low | 176 Ų | 176 | 129.2 Ų | 129.2 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 118.6 | 170.5 | -66.9 | -176.5 | 153.4 | 0 | 0 | 110.6 | G508 | G508-E510 PolarHBondContact O-N 2.88Š|
| 511 | H | 30.9 | Very low | 29.4 | Very low | 193 Ų | 193 | 132.7 Ų | 132.7 | 89% | 0.894 | 75% | 0.745 | S | S | * | * | trans | -118.9 | 122.2 | 149 | -99.6 | -63.6 | 0 | 0 | 0 | 109.4 | C509 | C509-H511 PolarHBondContact O-N 3.36Š| ||
| 512 | K | 28.1 | Very low | 28.7 | Very low | 174 Ų | 174 | 131 Ų | 131 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | trans | -68.4 | 146.3 | -174.8 | -74 | 177.4 | 173.7 | 174.2 | 0 | 113.3 | ||||
| 513 | N | 28.2 | Very low | 28.2 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | trans | 105.5 | 110.1 | 142.8 | -69.9 | -11.8 | 0 | 0 | 0 | 120.4 | ||||
| 514 | S | 29.6 | Very low | 28.1 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | 86 | 112.1 | 123.6 | 68.6 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 515 | D | 29.2 | Very low | 27.7 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 67% | 0.668 | 79% | 0.787 | S | S | * | * | trans | 77.1 | 108.4 | 130 | -83.6 | 18.5 | 0 | 0 | 0 | 121.9 | ||||
| 516 | K | 29.2 | Very low | 27.7 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | 93 | 131.7 | 123.7 | -70.9 | 172.3 | -177.2 | 152.6 | 0 | 121 | |||||
| 517 | S | 29.9 | Very low | 27.5 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | 85.6 | 107.7 | 150.6 | 58.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 518 | T | 27.4 | Very low | 27.4 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | trans | -69.2 | 179 | 153 | 1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 519 | P | 34.1 | Very low | 27.3 | Very low | 106 Ų | 106 | 146.6 Ų | 146.6 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | cis | -139.4 | -178.9 | -18.1 | 35.8 | -14.8 | 0 | 0 | 0 | 115.6 | ||||
| 520 | M | 26.4 | Very low | 27.3 | Very low | 173 Ų | 173 | 148.6 Ų | 148.6 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | 62.3 | 118 | 156.4 | -69.6 | -174.2 | 89.7 | 0 | 0 | 121.1 | ||||
| 521 | V | 28.6 | Very low | 27.4 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | -150.6 | 138.5 | 133.4 | -179.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 522 | T | 25 | Very low | 27.1 | Very low | 108 Ų | 108 | 146 Ų | 146 | 66% | 0.663 | 79% | 0.791 | S | S | * | * | trans | -60 | 156.4 | 177.2 | 37.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 523 | N | 25.4 | Very low | 27.1 | Very low | 147 Ų | 147 | 143 Ų | 143 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | 46.2 | 121.1 | 144 | -71.7 | -10.6 | 0 | 0 | 0 | 120.2 | ||||
| 524 | Q | 26.6 | Very low | 26.9 | Very low | 196 Ų | 196 | 141.7 Ų | 141.7 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | -161.8 | 119 | 125.5 | -109.1 | 167.8 | 21.5 | 0 | 0 | 112.9 | |||||
| 525 | T | 23.6 | Very low | 26.8 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | -67.5 | 134.2 | 168.9 | -32.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 526 | L | 26.1 | Very low | 26.5 | Very low | 169 Ų | 169 | 143.8 Ų | 143.8 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | -128.5 | 110.3 | 160.6 | -90 | 163.9 | 0 | 0 | 0 | 109.4 | ||||
| 527 | K | 23.7 | Very low | 26.3 | Very low | 192 Ų | 192 | 141 Ų | 141 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -71.5 | 138.2 | 163.3 | -76 | 177.2 | 171.6 | -179.1 | 0 | 108.6 | ||||
| 528 | V | 27.5 | Very low | 26 | Very low | 146 Ų | 146 | 141 Ų | 141 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | trans | -128.2 | 120.2 | 149.6 | -179.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 529 | S | 25.1 | Very low | 25.9 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | trans | -93.1 | 154.8 | -175.9 | 44.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 530 | E | 24.5 | Very low | 25.5 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | 65.3 | 112 | 146 | -71.8 | 170.7 | 179.8 | 0 | 0 | 119.3 | ||||
| 531 | F | 26.9 | Very low | 25.3 | Very low | 215 Ų | 215 | 138.9 Ų | 138.9 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | -150.6 | 113.7 | 116.4 | -115.3 | -83.6 | 0 | 0 | 0 | 109.9 | |||||
| 532 | S | 24.7 | Very low | 25 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -96.1 | 136.4 | 166.6 | 172 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 533 | S | 27.8 | Very low | 24.9 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -140.2 | 104.1 | 156.4 | 50.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 534 | T | 23.8 | Very low | 24.8 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | -57 | 130.5 | 165.5 | -46.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 535 | I | 27.3 | Very low | 24.7 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 82% | 0.821 | 79% | 0.792 | S | S | * | * | trans | -128.6 | 106.7 | 154.1 | -62.5 | -178.8 | 0 | 0 | 0 | 108.5 | ||||
| 536 | T | 23.9 | Very low | 24.8 | Very low | 113 Ų | 113 | 136 Ų | 136 | 69% | 0.693 | 80% | 0.797 | S | S | * | * | trans | -79.2 | 138.9 | 163.3 | -49.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 537 | T | 24.3 | Very low | 24.9 | Very low | 117 Ų | 117 | 135 Ų | 135 | 72% | 0.718 | 79% | 0.792 | S | S | * | * | trans | 149.9 | 142 | 150.3 | 35.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 538 | T | 23.6 | Very low | 25.3 | Very low | 119 Ų | 119 | 135 Ų | 135 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | cis | -170.1 | 147.2 | -3.6 | 12.6 | 0 | 0 | 0 | 0 | 106.2 | T540 | T538-T540 PolarHBondContact O-N 3.49Š| ||
| 539 | A | 24.7 | Very low | 25.9 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -52.9 | 133.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 540 | T | 25.2 | Very low | 26.9 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | trans | -143.7 | 128 | 157.8 | 14.8 | 0 | 0 | 0 | 0 | 110.5 | T538 | T538-T540 PolarHBondContact O-N 3.49Š| ||
| 541 | T | 22.4 | Very low | 27.9 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -68.9 | 150 | 179.2 | 40.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 542 | A | 23.1 | Very low | 29.5 | Very low | 91 Ų | 91 | 120.8 Ų | 120.8 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | trans | 68.5 | 114 | 149.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 543 | T | 23.6 | Very low | 30.8 | Very low | 144 Ų | 144 | 124.4 Ų | 124.4 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | -169.1 | 138.9 | 114.2 | 23.5 | 0 | 0 | 0 | 0 | 109.8 | D545 | T543-D545 PolarHBondContact O-N 2.98Š| |||
| 544 | S | 22.9 | Very low | 32.6 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | -71.1 | 112.9 | -177.8 | 49.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 545 | D | 23.6 | Very low | 35.1 | Very low | 155 Ų | 155 | 124.5 Ų | 124.5 | 83% | 0.829 | 71% | 0.709 | S | S | * | * | trans | -144.2 | 120.8 | 160.1 | -94.8 | -29.5 | 0 | 0 | 0 | 110 | T543 N547 | T543-D545 PolarHBondContact O-N 2.98Å; D545-N547 VanDerWaalsContact C-N 3.29Å; D545-N547 PolarHBondContact O-N 3.47Å | ||
| 546 | N | 25.7 | Very low | 37.7 | Very low | 168 Ų | 168 | 118.1 Ų | 118.1 | 90% | 0.898 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -78 | 60.5 | -169.7 | -75.2 | -31 | 0 | 0 | 0 | 113.4 | ||
| 547 | N | 28.7 | Very low | 41 | Very low | 148 Ų | 148 | 112.8 Ų | 112.8 | 79% | 0.791 | 64% | 0.644 | S | S | * | * | trans | -143.3 | 77.2 | 170.8 | -84.7 | -29.8 | 0 | 0 | 0 | 110.5 | D545 E549 | D545-N547 VanDerWaalsContact C-N 3.29Å; D545-N547 PolarHBondContact O-N 3.47Å; N547-E549 PolarHBondContact O-N 2.94Å | ||
| 548 | H | 31.4 | Very low | 44.2 | Very low | 192 Ų | 192 | 109.5 Ų | 109.5 | 89% | 0.889 | 62% | 0.624 | S | S | * | * | trans | -73.1 | 93.4 | 170.9 | -103.9 | -69.1 | 0 | 0 | 0 | 109.9 | T550 | H548-T550 PolarHBondContact O-N 3.07Š| ||
| 549 | E | 40.6 | Very low | 47.6 | Very low | 116 Ų | 116 | 107.5 Ų | 107.5 | 54% | 0.542 | 61% | 0.611 | S | S | . | * | trans | -62.1 | 115.4 | 164.5 | -73.1 | -172.8 | 149 | 0 | 0 | 108.6 | N547 I551 K831 | N547-E549 PolarHBondContact O-N 2.94Å; E549-I551 PolarHBondContact O-N 3.31Å; E549-I551 VanDerWaalsContact O-N 3.13Å; E549-K831 IonicContact OE1-NZ 2.82Å; E549-K831 PolarHBondContact OE1-NZ 3.49Å; E549-K831 IonicContact OE2-NZ 3.93Å; E549-K831 PolarHBondContact OE2-NZ 3.09Å | ||
| 550 | T | 45.9 | Very low | 50.9 | Low | 54 Ų | 54 | 111.1 Ų | 111.1 | 33% | 0.331 | 61% | 0.608 | S | S | . | * | trans | -78.1 | 98 | 179.3 | -25.1 | 0 | 0 | 0 | 0 | 108.5 | H548 Y552 | H548-T550 PolarHBondContact O-N 3.07Å; T550-Y552 HydrophobicContact CG2-CE2 4.37Å; T550-Y552 PolarHBondContact O-N 3.38Å | ||
| 551 | I | 45.7 | Very low | 54.2 | Low | 105 Ų | 105 | 105.2 Ų | 105.2 | 54% | 0.538 | 57% | 0.572 | S | S | . | * | trans | -84 | 103.8 | 177.2 | -55.2 | 177.3 | 0 | 0 | 0 | 108.2 | E549 E553 | E549-I551 PolarHBondContact O-N 3.31Å; E549-I551 VanDerWaalsContact O-N 3.13Å; I551-E553 HydrophobicContact CG2-CG 3.7Å; I551-E553 PolarHBondContact O-N 3.05Å; I551-E553 VanDerWaalsContact O-N 3.17Å | ||
| 552 | Y | 59.6 | Low | 57.8 | Low | 51 Ų | 51 | 100.6 Ų | 100.6 | 20% | 0.2 | 54% | 0.541 | C | S | . | . | trans | -78.1 | 91.5 | 168.9 | -62.6 | -81 | 0 | 0 | 0 | 108.9 | T550 L715 | T550-Y552 HydrophobicContact CG2-CE2 4.37Å; T550-Y552 PolarHBondContact O-N 3.38Å; Y552-L715 HydrophobicContact CD2-CD1 4.26Å; Y552-L715 HydrophobicContact CE1-CB 4.1Å; Y552-L715 HydrophobicContact CE1-CD1 4.41Å; Y552-L715 HydrophobicContact CE2-CD1 3.69Å | ||
| 553 | E | 52.2 | Low | 61.4 | Low | 175 Ų | 175 | 96.2 Ų | 96.2 | 82% | 0.818 | 51% | 0.505 | S | S | * | . | trans | -73.2 | -25.3 | -178.1 | -67.2 | -174.9 | 168.1 | 0 | 0 | 113.3 | I551 | I551-E553 HydrophobicContact CG2-CG 3.7Å; I551-E553 PolarHBondContact O-N 3.05Å; I551-E553 VanDerWaalsContact O-N 3.17Å | ||
| 554 | E | 65.5 | Low | 64.9 | Low | 142 Ų | 142 | 89.4 Ų | 89.4 | 66% | 0.664 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -85.7 | 140.7 | -178.6 | -68.3 | -170.4 | 168.1 | 0 | 0 | 113.1 | L556 | E554-L556 PolarHBondContact O-N 3Å; E554-L556 VanDerWaalsContact O-N 3.11Å |
| 555 | P | 76.6 | Confident | 68.5 | Low | 87 Ų | 87 | 84.3 Ų | 84.3 | 57% | 0.565 | 43% | 0.428 | S | S | * | . | trans | -63.7 | 115.8 | 174.3 | 25.8 | -32.7 | 0 | 0 | 0 | 110.6 | F557 T558 | P555-F557 VanDerWaalsContact C-N 3.3Å; P555-F557 PolarHBondContact O-N 3.29Å; P555-T558 HydrophobicContact CB-CG2 4.22Å; P555-T558 HydrophobicContact CG-CG2 3.94Å | ||
| 556 | L | 83.1 | Confident | 72.1 | Confident | 27 Ų | 27 | 78.3 Ų | 78.3 | 14% | 0.141 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -51.5 | -45.5 | -176.9 | -178.2 | 65 | 0 | 0 | 0 | 113.7 | E554 C689 L715 I717 | E554-L556 PolarHBondContact O-N 3Å; E554-L556 VanDerWaalsContact O-N 3.11Å; L556-C689 HydrophobicContact CD1-CB 3.57Å; L556-L715 HydrophobicContact CD1-CB 4.46Å; L556-L715 HydrophobicContact CD1-CD2 3.58Å; L556-L715 HydrophobicContact CD2-CD2 3.48Å; L556-L715 VanDerWaalsContact CD2-CD2 3.48Å; L556-L715 HydrophobicContact CG-CD2 4.15Å; L556-I717 HydrophobicContact CD2-CD1 4.11Å |
| 557 | F | 91.7 | Very high | 75.4 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | trans | -123.4 | 134.2 | 179.8 | -53.1 | -48.1 | 0 | 0 | 0 | 110.9 | P555 I632 I717 K726 F730 I732 | P555-F557 VanDerWaalsContact C-N 3.3Å; P555-F557 PolarHBondContact O-N 3.29Å; F557-I632 HydrophobicContact CD1-CD1 4.43Å; F557-I632 HydrophobicContact CE1-CD1 4.16Å; F557-I717 HydrophobicContact CZ-CD1 3.93Å; F557-K726 HydrophobicContact CB-CB 3.93Å; F557-K726 HydrophobicContact CB-CD 3.91Å; F557-K726 HydrophobicContact CD2-CB 4.07Å; F557-K726 HydrophobicContact CG-CB 4.47Å; F557-K726 WeakPolarHBondContact O-CD 3.38Å; F557-K726 WeakPolarHBondContact O-CE 3.4Å; F557-K726 PolarHBondContact O-NZ 3Å; F557-F730 HydrophobicContact CB-CB 4.03Å; F557-F730 HydrophobicContact CB-CD1 4.5Å; F557-F730 HydrophobicContact CD1-CB 4.47Å; F557-F730 AromaticContact CD1-CD1 3.41Å; F557-F730 HydrophobicContact CD1-CD1 3.41Å; F557-F730 VanDerWaalsContact CD1-CD1 3.41Å; F557-F730 AromaticContact CD1-CE1 3.96Å; F557-F730 HydrophobicContact CD1-CE1 3.96Å; F557-F730 HydrophobicContact CD1-CG 4.21Å; F557-F730 AromaticContact CE1-CD1 3.68Å; F557-F730 HydrophobicContact CE1-CD1 3.68Å; F557-F730 AromaticContact CE1-CE1 3.8Å; F557-F730 HydrophobicContact CE1-CE1 3.8Å; F557-F730 HydrophobicContact CG-CB 4.32Å; F557-F730 AromaticContact CG-CD1 3.9Å; F557-F730 HydrophobicContact CG-CD1 3.9Å; F557-F730 HydrophobicContact CZ-CD1 4.35Å; F557-I732 HydrophobicContact CE1-CD1 4.3Å; F557-I732 HydrophobicContact CE2-CD1 4.45Å; F557-I732 HydrophobicContact CZ-CD1 3.65Å; F557-I732 HydrophobicContact CZ-CG1 4.25Å | ||
| 558 | T | 93 | Very high | 78.6 | Confident | 49 Ų | 49 | 66.9 Ų | 66.9 | 30% | 0.301 | 33% | 0.333 | S | S | . | . | trans | -136.3 | 168.2 | 175.5 | 73.7 | 0 | 0 | 0 | 0 | 110 | P555 K560 T561 R585 | P555-T558 HydrophobicContact CB-CG2 4.22Å; P555-T558 HydrophobicContact CG-CG2 3.94Å; T558-K560 PolarHBondContact O-N 3.39Å; T558-K560 VanDerWaalsContact O-N 3.08Å; T558-K560 PolarHBondContact OG1-N 3.11Å; T558-T561 PolarHBondContact N-OG1 3.01Å; T558-T561 WeakPolarHBondContact O-CB 3.4Å; T558-T561 PolarHBondContact O-N 2.94Å; T558-T561 PolarHBondContact O-OG1 3.43Å; T558-T561 PolarHBondContact OG1-N 3.4Å; T558-T561 PolarHBondContact OG1-OG1 3.16Å; T558-R585 PolarHBondContact O-NH1 3.01Å | ||
| 559 | V | 94.1 | Very high | 81.6 | Confident | 76 Ų | 76 | 61.1 Ų | 61.1 | 46% | 0.461 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -16.3 | 174.1 | -153.2 | 0 | 0 | 0 | 0 | 112.4 | R585 | V559-R585 HydrophobicContact CG1-CG 3.82Å; V559-R585 PolarHBondContact O-NH1 2.69Å; V559-R585 PolarHBondContact O-NH2 2.98Å |
| 560 | K | 94.4 | Very high | 84.2 | Confident | 177 Ų | 177 | 58.8 Ų | 58.8 | 77% | 0.77 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -7.9 | 177.3 | -62.8 | -176.2 | -179.4 | -179.8 | 0 | 113.6 | T558 K562 | T558-K560 PolarHBondContact O-N 3.39Å; T558-K560 VanDerWaalsContact O-N 3.08Å; T558-K560 PolarHBondContact OG1-N 3.11Å; K560-K562 PolarHBondContact O-N 3.13Å |
| 561 | T | 95.4 | Very high | 86.5 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 9% | 0.092 | 32% | 0.321 | C | S | . | . | trans | -58.1 | 134.5 | -176.2 | -65.3 | 0 | 0 | 0 | 0 | 111.6 | T558 R585 I632 F730 | T558-T561 PolarHBondContact N-OG1 3.01Å; T558-T561 WeakPolarHBondContact O-CB 3.4Å; T558-T561 PolarHBondContact O-N 2.94Å; T558-T561 PolarHBondContact O-OG1 3.43Å; T558-T561 PolarHBondContact OG1-N 3.4Å; T558-T561 PolarHBondContact OG1-OG1 3.16Å; T561-R585 PolarHBondContact O-NH1 2.78Å; T561-R585 PolarHBondContact O-NH2 2.81Å; T561-I632 HydrophobicContact CG2-CD1 4.29Å; T561-I632 HydrophobicContact CG2-CG1 3.48Å; T561-I632 VanDerWaalsContact CG2-CG1 3.48Å; T561-F730 HydrophobicContact CG2-CD1 4.5Å; T561-F730 HydrophobicContact CG2-CD2 4.02Å; T561-F730 HydrophobicContact CG2-CE2 4.24Å; T561-F730 HydrophobicContact CG2-CG 4.17Å | ||
| 562 | K | 97.1 | Very high | 88.8 | Confident | 33 Ų | 33 | 59.8 Ų | 59.8 | 14% | 0.143 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 144.5 | 175.9 | -66.2 | -78 | -174.9 | 174.9 | 0 | 110.1 | K560 S587 P588 S589 D629 A630 R631 I632 | K560-K562 PolarHBondContact O-N 3.13Å; K562-S587 WeakPolarHBondContact CE-OG 3.25Å; K562-S587 PolarHBondContact NZ-OG 2.88Å; K562-P588 VanDerWaalsContact CD-O 3.26Å; K562-P588 WeakPolarHBondContact CD-O 3.37Å; K562-P588 VanDerWaalsContact CE-O 3.31Å; K562-P588 WeakPolarHBondContact CE-O 3.32Å; K562-P588 PolarHBondContact NZ-O 2.65Å; K562-S589 CarbonylContact C-O 3.46Å; K562-S589 VanDerWaalsContact CA-O 3.28Å; K562-S589 WeakPolarHBondContact CA-O 3.4Å; K562-D629 WeakPolarHBondContact CG-OD2 3.34Å; K562-A630 HydrophobicContact CB-CB 4.38Å; K562-R631 PolarHBondContact O-N 3.37Å; K562-R631 VanDerWaalsContact O-N 3.07Å; K562-I632 PolarHBondContact O-N 3.33Å |
| 563 | C | 98 | Very high | 90.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 153.6 | -179.5 | 72.9 | 0 | 0 | 0 | 0 | 113.2 | M576 S589 A591 I632 V634 F730 | C563-M576 WeakPolarHBondContact SG-CE 3.42Å; C563-S589 PolarHBondContact N-O 3.38Å; C563-S589 PolarHBondContact SG-O 3.16Å; C563-A591 PolarHBondContact O-N 3.07Å; C563-I632 CarbonylContact C-O 3.55Å; C563-I632 WeakPolarHBondContact CA-O 3.27Å; C563-I632 HydrophobicContact CB-CB 3.7Å; C563-I632 HydrophobicContact CB-CG2 4.07Å; C563-I632 WeakPolarHBondContact CB-O 3.35Å; C563-V634 HydrophobicContact CB-CG2 4.42Å; C563-F730 HydrophobicContact CB-CE2 4.09Å; C563-F730 HydrophobicContact CB-CZ 3.93Å |
| 564 | L | 98.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 141.6 | 163.3 | -61.6 | 176.3 | 0 | 0 | 0 | 108.8 | A591 A592 I594 A623 M624 H627 A630 I632 L633 V634 | L564-A591 HydrophobicContact CD2-CB 4.36Å; L564-A592 HydrophobicContact CD2-CB 3.88Å; L564-I594 HydrophobicContact CB-CD1 4.25Å; L564-I594 HydrophobicContact CD1-CD1 4.33Å; L564-A623 HydrophobicContact CD1-CB 4.32Å; L564-A623 HydrophobicContact CD2-CB 4.26Å; L564-M624 HydrophobicContact CD1-CE 4.4Å; L564-M624 HydrophobicContact CD1-CG 3.64Å; L564-H627 HydrophobicContact CD2-CB 4.23Å; L564-A630 HydrophobicContact CD1-CB 4.4Å; L564-A630 HydrophobicContact CD2-CB 4.03Å; L564-A630 HydrophobicContact CG-CB 3.76Å; L564-I632 PolarHBondContact N-O 3.27Å; L564-L633 HydrophobicContact CB-CD1 3.95Å; L564-V634 PolarHBondContact O-N 3.24Å |
| 565 | I | 98.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 117.4 | 176 | -54.4 | -62.9 | 0 | 0 | 0 | 108.4 | Q569 V573 M576 V590 A592 L593 I594 V634 F636 | I565-Q569 HydrophobicContact CG2-CB 4.45Å; I565-V573 HydrophobicContact CB-CG2 4.41Å; I565-V573 HydrophobicContact CG1-CG2 3.9Å; I565-V573 HydrophobicContact CG2-CG2 4.22Å; I565-M576 HydrophobicContact CD1-CE 4.39Å; I565-M576 HydrophobicContact CD1-SD 4.01Å; I565-V590 HydrophobicContact CD1-CG2 4.35Å; I565-V590 HydrophobicContact CG1-CG1 3.75Å; I565-V590 HydrophobicContact CG1-CG2 4.24Å; I565-A592 PolarHBondContact N-O 3.28Å; I565-L593 HydrophobicContact CB-CG 4.25Å; I565-L593 CarbonylContact O-C 3.58Å; I565-L593 VanDerWaalsContact O-CA 3.32Å; I565-L593 WeakPolarHBondContact O-CA 3.44Å; I565-I594 PolarHBondContact O-N 3.12Å; I565-V634 HydrophobicContact CD1-CB 3.69Å; I565-V634 HydrophobicContact CD1-CG1 4.45Å; I565-V634 HydrophobicContact CD1-CG2 3.83Å; I565-F636 HydrophobicContact CG2-CD2 4.09Å; I565-F636 HydrophobicContact CG2-CE2 4.3Å |
| 566 | W | 98 | Very high | 95.1 | Very high | 29 Ų | 29 | 40.1 Ų | 40.1 | 11% | 0.11 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 122.2 | 168.2 | -162.8 | 103.7 | 0 | 0 | 0 | 109.2 | P596 L633 V634 F636 A637 V641 I645 | W566-P596 HydrophobicContact CH2-CG 4.43Å; W566-P596 HydrophobicContact CZ2-CG 4.11Å; W566-L633 HydrophobicContact CB-CD1 4.28Å; W566-V634 PolarHBondContact N-O 2.95Å; W566-F636 WeakPolarHBondContact O-CB 3.47Å; W566-F636 PolarHBondContact O-N 2.93Å; W566-F636 VanDerWaalsContact O-N 3.13Å; W566-A637 HydrophobicContact CD2-CB 3.98Å; W566-A637 VanDerWaalsContact CE3-CA 3.47Å; W566-A637 HydrophobicContact CE3-CB 3.44Å; W566-A637 VanDerWaalsContact CE3-CB 3.44Å; W566-A637 HydrophobicContact CH2-CB 3.82Å; W566-A637 HydrophobicContact CZ2-CB 4.29Å; W566-A637 HydrophobicContact CZ3-CB 3.4Å; W566-A637 VanDerWaalsContact CZ3-CB 3.4Å; W566-V641 HydrophobicContact CH2-CG2 4.49Å; W566-I645 HydrophobicContact CB-CG2 4.38Å; W566-I645 HydrophobicContact CD2-CG1 4.38Å; W566-I645 HydrophobicContact CD2-CG2 4.23Å; W566-I645 HydrophobicContact CG-CG2 3.75Å; W566-I645 HydrophobicContact CZ2-CD1 3.83Å; W566-I645 HydrophobicContact CZ2-CG1 3.84Å; W566-I645 VanDerWaalsContact NE1-CD1 3.29Å |
| 567 | G | 96.3 | Very high | 95.8 | Very high | 5 Ų | 5 | 38.8 Ų | 38.8 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 103.9 | 155.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q569 I594 | G567-Q569 VanDerWaalsContact C-N 3.31Å; G567-Q569 PolarHBondContact O-N 3.35Å; G567-I594 PolarHBondContact N-O 3.26Å |
| 568 | L | 95.5 | Very high | 96 | Very high | 71 Ų | 71 | 39.6 Ų | 39.6 | 37% | 0.372 | 20% | 0.197 | S | C | . | . | trans | -83.7 | 66.8 | -176.7 | -167.6 | 65.9 | 0 | 0 | 0 | 112.2 | V570 Y595 L603 | L568-V570 PolarHBondContact O-N 3.15Å; L568-Y595 HydrophobicContact CB-CD1 4.39Å; L568-Y595 HydrophobicContact CB-CD2 3.7Å; L568-Y595 HydrophobicContact CB-CE1 4.5Å; L568-Y595 HydrophobicContact CB-CE2 3.79Å; L568-Y595 HydrophobicContact CB-CG 4.01Å; L568-Y595 HydrophobicContact CD2-CD1 4.34Å; L568-Y595 HydrophobicContact CD2-CE1 4.07Å; L568-L603 HydrophobicContact CD1-CD1 3.43Å; L568-L603 VanDerWaalsContact CD1-CD1 3.43Å | ||
| 569 | Q | 95 | Very high | 96.1 | Very high | 71 Ų | 71 | 37.3 Ų | 37.3 | 33% | 0.332 | 18% | 0.183 | S | C | . | . | trans | -98.7 | 63.4 | -172.2 | -65.3 | -65.8 | -21.6 | 0 | 0 | 113.7 | I565 G567 K571 A572 V573 F636 | I565-Q569 HydrophobicContact CG2-CB 4.45Å; G567-Q569 VanDerWaalsContact C-N 3.31Å; G567-Q569 PolarHBondContact O-N 3.35Å; Q569-K571 VanDerWaalsContact C-N 3.34Å; Q569-K571 PolarHBondContact O-N 3.25Å; Q569-A572 HydrophobicContact CB-CB 4Å; Q569-A572 PolarHBondContact O-N 2.58Å; Q569-A572 VanDerWaalsContact O-N 3.11Å; Q569-V573 WeakPolarHBondContact O-CG2 3.14Å; Q569-V573 PolarHBondContact O-N 3.07Å; Q569-F636 HydrophobicContact CB-CD2 4.25Å; Q569-F636 HydrophobicContact CB-CE2 4.28Å; Q569-F636 HydrophobicContact CB-CG 4.5Å; Q569-F636 HydrophobicContact CG-CB 3.71Å; Q569-F636 HydrophobicContact CG-CD1 3.84Å; Q569-F636 HydrophobicContact CG-CD2 3.68Å; Q569-F636 HydrophobicContact CG-CE1 4.28Å; Q569-F636 HydrophobicContact CG-CE2 4.13Å; Q569-F636 HydrophobicContact CG-CG 3.51Å; Q569-F636 HydrophobicContact CG-CZ 4.41Å | ||
| 570 | V | 95.2 | Very high | 96.3 | Very high | 67 Ų | 67 | 33.7 Ų | 33.7 | 41% | 0.406 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -52.8 | -46.3 | -173.1 | -178.9 | 0 | 0 | 0 | 0 | 113 | L568 V573 Q574 F605 | L568-V570 PolarHBondContact O-N 3.15Å; V570-V573 PolarHBondContact O-N 2.83Å; V570-Q574 WeakPolarHBondContact O-CB 3.25Å; V570-Q574 PolarHBondContact O-N 3.2Å; V570-F605 HydrophobicContact CB-CE1 4.42Å; V570-F605 HydrophobicContact CG1-CE1 3.86Å; V570-F605 HydrophobicContact CG1-CZ 4.37Å; V570-F605 WeakPolarHBondContact O-CE1 3.44Å |
| 571 | K | 92.7 | Very high | 96.4 | Very high | 179 Ų | 179 | 28 Ų | 28 | 78% | 0.778 | 14% | 0.135 | S | C | * | . | H | α-helix | trans | -66.2 | -40.1 | -179.7 | -67.6 | -176.7 | 179.3 | -179.8 | 0 | 112.9 | Q569 S575 | Q569-K571 VanDerWaalsContact C-N 3.34Å; Q569-K571 PolarHBondContact O-N 3.25Å; K571-S575 VanDerWaalsContact O-CB 3.26Å; K571-S575 WeakPolarHBondContact O-CB 3.05Å; K571-S575 PolarHBondContact O-N 3.01Å |
| 572 | A | 95.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67 | -43.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q569 S575 M576 F636 N734 | Q569-A572 HydrophobicContact CB-CB 4Å; Q569-A572 PolarHBondContact O-N 2.58Å; Q569-A572 VanDerWaalsContact O-N 3.11Å; A572-S575 WeakPolarHBondContact O-CB 3.46Å; A572-S575 PolarHBondContact O-N 2.9Å; A572-M576 WeakPolarHBondContact O-CG 3.35Å; A572-M576 PolarHBondContact O-N 3.43Å; A572-F636 HydrophobicContact CB-CE2 4.38Å; A572-F636 HydrophobicContact CB-CZ 3.85Å; A572-N734 WeakPolarHBondContact CA-OD1 3.34Å; A572-N734 VanDerWaalsContact CB-OD1 3.27Å; A572-N734 WeakPolarHBondContact CB-OD1 3.26Å |
| 573 | V | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.7 | -49.5 | 175.8 | 174.3 | 0 | 0 | 0 | 0 | 111 | I565 Q569 V570 S575 M576 L577 V590 L593 F605 L614 | I565-V573 HydrophobicContact CB-CG2 4.41Å; I565-V573 HydrophobicContact CG1-CG2 3.9Å; I565-V573 HydrophobicContact CG2-CG2 4.22Å; Q569-V573 WeakPolarHBondContact O-CG2 3.14Å; Q569-V573 PolarHBondContact O-N 3.07Å; V570-V573 PolarHBondContact O-N 2.83Å; V573-S575 VanDerWaalsContact C-N 3.28Å; V573-S575 PolarHBondContact O-N 3.12Å; V573-M576 WeakPolarHBondContact O-CB 3.05Å; V573-M576 PolarHBondContact O-N 2.87Å; V573-M576 VanDerWaalsContact O-N 3.12Å; V573-L577 HydrophobicContact CG1-CD1 4.19Å; V573-L577 HydrophobicContact CG1-CG 4.47Å; V573-L577 WeakPolarHBondContact O-CG 3.13Å; V573-L577 PolarHBondContact O-N 3.49Å; V573-V590 HydrophobicContact CG1-CB 4.28Å; V573-V590 HydrophobicContact CG1-CG1 4.11Å; V573-V590 HydrophobicContact CG1-CG2 4.11Å; V573-L593 HydrophobicContact CG2-CD2 4.02Å; V573-L593 HydrophobicContact CG2-CG 4.35Å; V573-F605 HydrophobicContact CB-CD1 4.27Å; V573-F605 HydrophobicContact CB-CE1 3.54Å; V573-F605 HydrophobicContact CB-CZ 3.89Å; V573-F605 HydrophobicContact CG1-CD1 3.73Å; V573-F605 HydrophobicContact CG1-CD2 4.46Å; V573-F605 HydrophobicContact CG1-CE1 3.35Å; V573-F605 HydrophobicContact CG1-CE2 4.12Å; V573-F605 HydrophobicContact CG1-CG 4.28Å; V573-F605 HydrophobicContact CG1-CZ 3.56Å; V573-L614 HydrophobicContact CG1-CD1 3.66Å |
| 574 | Q | 96.3 | Very high | 96.1 | Very high | 25 Ų | 25 | 27.9 Ų | 27.9 | 12% | 0.117 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.5 | -44.2 | 176.7 | -172.8 | 56.9 | 57 | 0 | 0 | 111.4 | V570 M576 L577 D578 F605 Y606 | V570-Q574 WeakPolarHBondContact O-CB 3.25Å; V570-Q574 PolarHBondContact O-N 3.2Å; Q574-M576 VanDerWaalsContact C-N 3.32Å; Q574-M576 PolarHBondContact O-N 3.36Å; Q574-L577 WeakPolarHBondContact O-CB 3.28Å; Q574-L577 PolarHBondContact O-N 3.07Å; Q574-L577 VanDerWaalsContact O-N 3.09Å; Q574-D578 PolarHBondContact NE2-OD1 3.16Å; Q574-D578 PolarHBondContact O-N 3.44Å; Q574-F605 HydrophobicContact CB-CD1 4.3Å; Q574-Y606 PolarHBondContact NE2-O 3.33Å |
| 575 | S | 94.4 | Very high | 96 | Very high | 15 Ų | 15 | 28 Ų | 28 | 11% | 0.105 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.2 | -37.5 | 177.8 | -167 | 0 | 0 | 0 | 0 | 113 | K571 A572 V573 F579 K731 G737 | K571-S575 VanDerWaalsContact O-CB 3.26Å; K571-S575 WeakPolarHBondContact O-CB 3.05Å; K571-S575 PolarHBondContact O-N 3.01Å; A572-S575 WeakPolarHBondContact O-CB 3.46Å; A572-S575 PolarHBondContact O-N 2.9Å; V573-S575 VanDerWaalsContact C-N 3.28Å; V573-S575 PolarHBondContact O-N 3.12Å; S575-F579 PolarHBondContact O-N 3.43Å; S575-F579 VanDerWaalsContact O-N 3.12Å; S575-K731 WeakPolarHBondContact O-CE 3.37Å; S575-K731 PolarHBondContact O-NZ 3.06Å; S575-K731 VanDerWaalsContact O-NZ 3.08Å; S575-K731 PolarHBondContact OG-NZ 3.22Å; S575-G737 PolarHBondContact OG-O 3.17Å; S575-G737 VanDerWaalsContact OG-O 3.11Å |
| 576 | M | 97.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 172.2 | -70.7 | 176.1 | 63.4 | 0 | 0 | 111.4 | C563 I565 A572 V573 Q574 D578 F579 D580 V590 F730 K731 G733 | C563-M576 WeakPolarHBondContact SG-CE 3.42Å; I565-M576 HydrophobicContact CD1-CE 4.39Å; I565-M576 HydrophobicContact CD1-SD 4.01Å; A572-M576 WeakPolarHBondContact O-CG 3.35Å; A572-M576 PolarHBondContact O-N 3.43Å; V573-M576 WeakPolarHBondContact O-CB 3.05Å; V573-M576 PolarHBondContact O-N 2.87Å; V573-M576 VanDerWaalsContact O-N 3.12Å; Q574-M576 VanDerWaalsContact C-N 3.32Å; Q574-M576 PolarHBondContact O-N 3.36Å; M576-D578 PolarHBondContact O-N 3.34Å; M576-F579 WeakPolarHBondContact O-CB 3.48Å; M576-F579 PolarHBondContact O-N 3.08Å; M576-D580 WeakPolarHBondContact O-CB 3.3Å; M576-D580 PolarHBondContact O-N 3.07Å; M576-V590 HydrophobicContact CB-CG2 4.23Å; M576-V590 HydrophobicContact CE-CG2 3.67Å; M576-V590 HydrophobicContact SD-CG2 4Å; M576-F730 HydrophobicContact CE-CE2 3.77Å; M576-F730 HydrophobicContact CE-CZ 3.95Å; M576-K731 VanDerWaalsContact CE-O 3.23Å; M576-K731 WeakPolarHBondContact CE-O 3.45Å; M576-K731 HydrophobicContact CG-CG 4.1Å; M576-G733 PolarHBondContact SD-N 3.2Å; M576-G733 VanDerWaalsContact SD-N 3.35Å |
| 577 | L | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.2 | -37.3 | 178.8 | -61 | 176 | 0 | 0 | 0 | 112.7 | V573 Q574 D580 Y581 P588 F605 W607 L612 L614 | V573-L577 HydrophobicContact CG1-CD1 4.19Å; V573-L577 HydrophobicContact CG1-CG 4.47Å; V573-L577 WeakPolarHBondContact O-CG 3.13Å; V573-L577 PolarHBondContact O-N 3.49Å; Q574-L577 WeakPolarHBondContact O-CB 3.28Å; Q574-L577 PolarHBondContact O-N 3.07Å; Q574-L577 VanDerWaalsContact O-N 3.09Å; L577-D580 WeakPolarHBondContact O-CB 3.5Å; L577-D580 PolarHBondContact O-N 3.28Å; L577-Y581 WeakPolarHBondContact O-CB 3.35Å; L577-Y581 PolarHBondContact O-N 2.81Å; L577-P588 HydrophobicContact CD2-CB 3.57Å; L577-P588 HydrophobicContact CD2-CG 4.23Å; L577-F605 HydrophobicContact CD1-CB 3.57Å; L577-F605 HydrophobicContact CD1-CD1 4.15Å; L577-F605 HydrophobicContact CD1-CG 3.97Å; L577-W607 HydrophobicContact CB-CE3 4.42Å; L577-W607 HydrophobicContact CD2-CE3 4.29Å; L577-W607 HydrophobicContact CD2-CZ3 4.31Å; L577-L612 HydrophobicContact CD1-CD2 4.11Å; L577-L612 HydrophobicContact CD2-CD2 4.37Å; L577-L614 HydrophobicContact CD1-CD1 4.26Å |
| 578 | D | 95.5 | Very high | 95.7 | Very high | 17 Ų | 17 | 36.3 Ų | 36.3 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.5 | -42.7 | 175.6 | -62.3 | -23.3 | 0 | 0 | 0 | 111.1 | Q574 M576 Y581 A582 V933 | Q574-D578 PolarHBondContact NE2-OD1 3.16Å; Q574-D578 PolarHBondContact O-N 3.44Å; M576-D578 PolarHBondContact O-N 3.34Å; D578-Y581 PolarHBondContact O-N 3Å; D578-A582 VanDerWaalsContact O-CB 3.28Å; D578-A582 WeakPolarHBondContact O-CB 3.42Å; D578-A582 PolarHBondContact O-N 3Å; D578-V933 HydrophobicContact CB-CG1 4.28Å |
| 579 | F | 96.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.2 | -45.9 | 172.9 | 168 | -90.1 | 0 | 0 | 0 | 111.5 | S575 M576 Y581 A582 S583 K731 I742 L747 | S575-F579 PolarHBondContact O-N 3.43Å; S575-F579 VanDerWaalsContact O-N 3.12Å; M576-F579 WeakPolarHBondContact O-CB 3.48Å; M576-F579 PolarHBondContact O-N 3.08Å; F579-Y581 VanDerWaalsContact C-N 3.32Å; F579-Y581 PolarHBondContact O-N 3.43Å; F579-A582 PolarHBondContact O-N 3.1Å; F579-S583 WeakPolarHBondContact CZ-OG 3.38Å; F579-S583 WeakPolarHBondContact O-CB 3.38Å; F579-S583 PolarHBondContact O-N 3.31Å; F579-S583 PolarHBondContact O-OG 3.48Å; F579-K731 HydrophobicContact CB-CD 3.6Å; F579-K731 HydrophobicContact CB-CG 4.07Å; F579-K731 HydrophobicContact CD1-CB 4.06Å; F579-K731 HydrophobicContact CD1-CD 4.18Å; F579-K731 HydrophobicContact CD1-CG 3.83Å; F579-K731 HydrophobicContact CD2-CD 4.01Å; F579-K731 HydrophobicContact CD2-CG 4.45Å; F579-K731 HydrophobicContact CE1-CB 4.17Å; F579-K731 HydrophobicContact CE1-CG 4.43Å; F579-K731 HydrophobicContact CG-CB 4.26Å; F579-K731 HydrophobicContact CG-CD 3.66Å; F579-K731 HydrophobicContact CG-CG 3.85Å; F579-K731 HydrophobicContact CZ-CB 4.41Å; F579-I742 HydrophobicContact CD2-CD1 4.11Å; F579-I742 HydrophobicContact CD2-CG1 4.48Å; F579-I742 HydrophobicContact CD2-CG2 3.91Å; F579-L747 WeakPolarHBondContact CE2-O 3.48Å |
| 580 | D | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.8 | -45.2 | 179.6 | -68.4 | -28.8 | 0 | 0 | 0 | 111.1 | M576 L577 S583 G584 R585 S589 W607 | M576-D580 WeakPolarHBondContact O-CB 3.3Å; M576-D580 PolarHBondContact O-N 3.07Å; L577-D580 WeakPolarHBondContact O-CB 3.5Å; L577-D580 PolarHBondContact O-N 3.28Å; D580-S583 PolarHBondContact O-N 2.94Å; D580-G584 PolarHBondContact O-N 3.42Å; D580-R585 HydrophobicContact CB-CB 4.32Å; D580-R585 HydrophobicContact CB-CG 4.41Å; D580-R585 WeakPolarHBondContact O-CB 3.44Å; D580-R585 PolarHBondContact O-N 3.32Å; D580-R585 VanDerWaalsContact OD1-CD 3.26Å; D580-R585 WeakPolarHBondContact OD1-CD 3.44Å; D580-R585 IonicContact OD1-NE 3.87Å; D580-S589 VanDerWaalsContact CG-OG 3.28Å; D580-S589 WeakPolarHBondContact OD1-CB 3.37Å; D580-S589 PolarHBondContact OD1-OG 3.33Å; D580-S589 WeakPolarHBondContact OD2-CA 3.48Å; D580-S589 WeakPolarHBondContact OD2-CB 3.43Å; D580-S589 PolarHBondContact OD2-N 3.13Å; D580-S589 PolarHBondContact OD2-OG 2.87Å; D580-W607 HydrophobicContact CB-CH2 3.7Å; D580-W607 HydrophobicContact CB-CZ3 3.54Å |
| 581 | Y | 96.5 | Very high | 96.1 | Very high | 57 Ų | 57 | 26.9 Ų | 26.9 | 22% | 0.224 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.6 | -50.9 | 178.2 | -169.7 | -89.1 | 0 | 0 | 0 | 111.2 | L577 D578 F579 S583 G584 W607 R931 N932 V933 | L577-Y581 WeakPolarHBondContact O-CB 3.35Å; L577-Y581 PolarHBondContact O-N 2.81Å; D578-Y581 PolarHBondContact O-N 3Å; F579-Y581 VanDerWaalsContact C-N 3.32Å; F579-Y581 PolarHBondContact O-N 3.43Å; Y581-S583 PolarHBondContact O-N 3.41Å; Y581-G584 PolarHBondContact O-N 3.31Å; Y581-W607 AromaticContact CD2-CD1 3.95Å; Y581-W607 HydrophobicContact CD2-CD2 4.07Å; Y581-W607 AromaticContact CD2-CE2 3.87Å; Y581-W607 HydrophobicContact CD2-CG 4.16Å; Y581-W607 HydrophobicContact CD2-CZ2 4.42Å; Y581-W607 AromaticContact CD2-NE1 3.78Å; Y581-R931 HydrophobicContact CD1-CB 3.97Å; Y581-R931 HydrophobicContact CE1-CB 3.8Å; Y581-R931 WeakPolarHBondContact O-CB 3.46Å; Y581-R931 WeakPolarHBondContact O-CD 3.41Å; Y581-N932 WeakPolarHBondContact CE1-O 3.43Å; Y581-V933 HydrophobicContact CD1-CG2 3.94Å |
| 582 | A | 95.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 2% | 0.017 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59 | -36.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D578 F579 G584 P930 R931 V933 | D578-A582 VanDerWaalsContact O-CB 3.28Å; D578-A582 WeakPolarHBondContact O-CB 3.42Å; D578-A582 PolarHBondContact O-N 3Å; F579-A582 PolarHBondContact O-N 3.1Å; A582-G584 PolarHBondContact O-N 3.21Å; A582-P930 HydrophobicContact CB-CB 4.41Å; A582-P930 WeakPolarHBondContact O-CB 3.22Å; A582-R931 PolarHBondContact O-N 3.41Å; A582-V933 HydrophobicContact CB-CG2 3.95Å |
| 583 | S | 95.1 | Very high | 96.5 | Very high | 17 Ų | 17 | 18.3 Ų | 18.3 | 12% | 0.119 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -4.1 | 176.7 | -63.9 | 0 | 0 | 0 | 0 | 114.3 | F579 D580 Y581 Y748 | F579-S583 WeakPolarHBondContact CZ-OG 3.38Å; F579-S583 WeakPolarHBondContact O-CB 3.38Å; F579-S583 PolarHBondContact O-N 3.31Å; F579-S583 PolarHBondContact O-OG 3.48Å; D580-S583 PolarHBondContact O-N 2.94Å; Y581-S583 PolarHBondContact O-N 3.41Å; S583-Y748 WeakPolarHBondContact CA-O 3.41Å |
| 584 | G | 94.6 | Very high | 96.6 | Very high | 27 Ų | 27 | 18.4 Ų | 18.4 | 28% | 0.278 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 19 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | D580 Y581 A582 R931 | D580-G584 PolarHBondContact O-N 3.42Å; Y581-G584 PolarHBondContact O-N 3.31Å; A582-G584 PolarHBondContact O-N 3.21Å; G584-R931 PolarHBondContact O-NH2 3.28Å |
| 585 | R | 96.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | trans | -62.1 | 150.1 | 174.5 | -70.4 | 179.5 | 56.7 | 115.6 | -2.5 | 111.3 | T558 V559 T561 D580 S587 W607 C729 R931 | T558-R585 PolarHBondContact O-NH1 3.01Å; V559-R585 HydrophobicContact CG1-CG 3.82Å; V559-R585 PolarHBondContact O-NH1 2.69Å; V559-R585 PolarHBondContact O-NH2 2.98Å; T561-R585 PolarHBondContact O-NH1 2.78Å; T561-R585 PolarHBondContact O-NH2 2.81Å; D580-R585 HydrophobicContact CB-CB 4.32Å; D580-R585 HydrophobicContact CB-CG 4.41Å; D580-R585 WeakPolarHBondContact O-CB 3.44Å; D580-R585 PolarHBondContact O-N 3.32Å; D580-R585 VanDerWaalsContact OD1-CD 3.26Å; D580-R585 WeakPolarHBondContact OD1-CD 3.44Å; D580-R585 IonicContact OD1-NE 3.87Å; R585-S587 PolarHBondContact NE-O 3.32Å; R585-S587 VanDerWaalsContact NE-O 3.08Å; R585-S587 PolarHBondContact NH2-O 3.16Å; R585-W607 HydrophobicContact CB-CH2 4.2Å; R585-W607 WeakPolarHBondContact O-CZ2 3.44Å; R585-C729 WeakPolarHBondContact CD-O 3.38Å; R585-C729 PolarHBondContact NH1-O 3.2Å; R585-R931 PolarHBondContact O-NH1 3Å | ||
| 586 | D | 94.1 | Very high | 96.6 | Very high | 147 Ų | 147 | 21.9 Ų | 21.9 | 79% | 0.786 | 13% | 0.125 | S | C | * | . | S | Bend | trans | -87.1 | -18 | 175.7 | -63.1 | -33.6 | 0 | 0 | 0 | 112.7 | R931 | D586-R931 IonicContact OD1-NH2 2.81Š|
| 587 | S | 95 | Very high | 96.4 | Very high | 41 Ų | 41 | 29.6 Ų | 29.6 | 29% | 0.287 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -145.5 | 151.7 | 177.6 | 75.6 | 0 | 0 | 0 | 0 | 113.3 | K562 R585 | K562-S587 WeakPolarHBondContact CE-OG 3.25Å; K562-S587 PolarHBondContact NZ-OG 2.88Å; R585-S587 PolarHBondContact NE-O 3.32Å; R585-S587 VanDerWaalsContact NE-O 3.08Å; R585-S587 PolarHBondContact NH2-O 3.16Å |
| 588 | P | 97.2 | Very high | 96.1 | Very high | 22 Ų | 22 | 30.9 Ų | 30.9 | 14% | 0.143 | 17% | 0.168 | C | C | . | . | trans | -48.6 | 140.5 | 173.8 | -32.7 | 37.8 | 0 | 0 | 0 | 113.2 | K562 L577 V590 W607 L612 | K562-P588 VanDerWaalsContact CD-O 3.26Å; K562-P588 WeakPolarHBondContact CD-O 3.37Å; K562-P588 VanDerWaalsContact CE-O 3.31Å; K562-P588 WeakPolarHBondContact CE-O 3.32Å; K562-P588 PolarHBondContact NZ-O 2.65Å; L577-P588 HydrophobicContact CD2-CB 3.57Å; L577-P588 HydrophobicContact CD2-CG 4.23Å; P588-V590 VanDerWaalsContact C-N 3.35Å; P588-W607 HydrophobicContact CB-CE3 4.44Å; P588-W607 HydrophobicContact CB-CZ3 4.17Å; P588-W607 HydrophobicContact CG-CD2 4.29Å; P588-W607 HydrophobicContact CG-CE3 3.81Å; P588-W607 HydrophobicContact CG-CH2 4.45Å; P588-W607 HydrophobicContact CG-CZ3 3.9Å; P588-L612 HydrophobicContact CB-CD2 4.26Å; P588-L612 HydrophobicContact CG-CD2 3.58Å | ||
| 589 | S | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -78.3 | -21 | 170.2 | 64.4 | 0 | 0 | 0 | 0 | 113.1 | K562 C563 D580 | K562-S589 CarbonylContact C-O 3.46Å; K562-S589 VanDerWaalsContact CA-O 3.28Å; K562-S589 WeakPolarHBondContact CA-O 3.4Å; C563-S589 PolarHBondContact N-O 3.38Å; C563-S589 PolarHBondContact SG-O 3.16Å; D580-S589 VanDerWaalsContact CG-OG 3.28Å; D580-S589 WeakPolarHBondContact OD1-CB 3.37Å; D580-S589 PolarHBondContact OD1-OG 3.33Å; D580-S589 WeakPolarHBondContact OD2-CA 3.48Å; D580-S589 WeakPolarHBondContact OD2-CB 3.43Å; D580-S589 PolarHBondContact OD2-N 3.13Å; D580-S589 PolarHBondContact OD2-OG 2.87Å |
| 590 | V | 98.4 | Very high | 96 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 122.3 | 176.3 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | I565 V573 M576 P588 L614 | I565-V590 HydrophobicContact CD1-CG2 4.35Å; I565-V590 HydrophobicContact CG1-CG1 3.75Å; I565-V590 HydrophobicContact CG1-CG2 4.24Å; V573-V590 HydrophobicContact CG1-CB 4.28Å; V573-V590 HydrophobicContact CG1-CG1 4.11Å; V573-V590 HydrophobicContact CG1-CG2 4.11Å; M576-V590 HydrophobicContact CB-CG2 4.23Å; M576-V590 HydrophobicContact CE-CG2 3.67Å; M576-V590 HydrophobicContact SD-CG2 4Å; P588-V590 VanDerWaalsContact C-N 3.35Å; V590-L614 HydrophobicContact CB-CD1 4.1Å; V590-L614 HydrophobicContact CG1-CD1 3.84Å |
| 591 | A | 97.7 | Very high | 96 | Very high | 10 Ų | 10 | 42.4 Ų | 42.4 | 8% | 0.083 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -45.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | C563 L564 H627 A630 | C563-A591 PolarHBondContact O-N 3.07Å; L564-A591 HydrophobicContact CD2-CB 4.36Å; A591-H627 HydrophobicContact CB-CB 4.13Å; A591-H627 PolarHBondContact O-CE1 2.91Å; A591-A630 HydrophobicContact CB-CB 4.26Å |
| 592 | A | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 165.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L564 I565 P615 Y617 | L564-A592 HydrophobicContact CD2-CB 3.88Å; I565-A592 PolarHBondContact N-O 3.28Å; A592-P615 WeakPolarHBondContact CA-O 3.49Å; A592-P615 HydrophobicContact CB-CG 3.88Å; A592-Y617 HydrophobicContact CB-CD2 3.84Å; A592-Y617 HydrophobicContact CB-CE2 3.62Å |
| 593 | L | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 153.4 | 167.9 | -61 | 85.8 | 0 | 0 | 0 | 110.3 | I565 V573 F605 L614 P615 V616 Y617 | I565-L593 HydrophobicContact CB-CG 4.25Å; I565-L593 CarbonylContact O-C 3.58Å; I565-L593 VanDerWaalsContact O-CA 3.32Å; I565-L593 WeakPolarHBondContact O-CA 3.44Å; V573-L593 HydrophobicContact CG2-CD2 4.02Å; V573-L593 HydrophobicContact CG2-CG 4.35Å; L593-F605 HydrophobicContact CD1-CE2 4.05Å; L593-F605 HydrophobicContact CD1-CZ 4.24Å; L593-F605 HydrophobicContact CD2-CZ 4.45Å; L593-L614 HydrophobicContact CD1-CB 3.99Å; L593-L614 HydrophobicContact CD1-CD1 4.26Å; L593-P615 PolarHBondContact N-O 2.74Å; L593-V616 HydrophobicContact CB-CG1 4.33Å; L593-V616 HydrophobicContact CB-CG2 4.24Å; L593-V616 CarbonylContact O-C 3.54Å; L593-V616 WeakPolarHBondContact O-CA 3.48Å; L593-Y617 PolarHBondContact O-N 2.74Å |
| 594 | I | 98.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 120.4 | 173.3 | -59.6 | 154.7 | 0 | 0 | 0 | 107.7 | L564 I565 G567 Y617 M620 A623 | L564-I594 HydrophobicContact CB-CD1 4.25Å; L564-I594 HydrophobicContact CD1-CD1 4.33Å; I565-I594 PolarHBondContact O-N 3.12Å; G567-I594 PolarHBondContact N-O 3.26Å; I594-Y617 CarbonylContact C-O 2.98Å; I594-Y617 VanDerWaalsContact CA-O 3.3Å; I594-Y617 WeakPolarHBondContact CA-O 3.47Å; I594-M620 HydrophobicContact CD1-CB 4.04Å; I594-M620 HydrophobicContact CD1-CG 3.78Å; I594-M620 HydrophobicContact CG2-CB 4.36Å; I594-A623 HydrophobicContact CD1-CB 4.03Å; I594-A623 HydrophobicContact CG1-CB 3.71Å |
| 595 | Y | 97.1 | Very high | 96.2 | Very high | 65 Ų | 65 | 49 Ų | 49 | 26% | 0.255 | 26% | 0.256 | S | S | . | . | trans | -141.6 | 107.1 | 180 | -171.3 | -119.9 | 0 | 0 | 0 | 111.1 | L568 F597 S598 Y617 | L568-Y595 HydrophobicContact CB-CD1 4.39Å; L568-Y595 HydrophobicContact CB-CD2 3.7Å; L568-Y595 HydrophobicContact CB-CE1 4.5Å; L568-Y595 HydrophobicContact CB-CE2 3.79Å; L568-Y595 HydrophobicContact CB-CG 4.01Å; L568-Y595 HydrophobicContact CD2-CD1 4.34Å; L568-Y595 HydrophobicContact CD2-CE1 4.07Å; Y595-F597 HydrophobicContact CD1-CB 4.34Å; Y595-F597 HydrophobicContact CD2-CD2 4.16Å; Y595-F597 HydrophobicContact CE1-CB 3.72Å; Y595-F597 HydrophobicContact CE1-CD2 4.29Å; Y595-F597 AromaticContact CE2-CD2 3.55Å; Y595-F597 HydrophobicContact CE2-CD2 3.55Å; Y595-F597 HydrophobicContact CE2-CE2 4.31Å; Y595-F597 AromaticContact CZ-CD2 3.61Å; Y595-F597 PolarHBondContact O-N 2.68Å; Y595-S598 WeakPolarHBondContact CD1-OG 3.44Å; Y595-Y617 PolarHBondContact N-O 3.02Å | ||
| 596 | P | 94.4 | Very high | 96.2 | Very high | 48 Ų | 48 | 53.7 Ų | 53.7 | 31% | 0.312 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -11.4 | -168.4 | 28.5 | -35.5 | 0 | 0 | 0 | 114.6 | W566 | W566-P596 HydrophobicContact CH2-CG 4.43Å; W566-P596 HydrophobicContact CZ2-CG 4.11Å |
| 597 | F | 94.1 | Very high | 96.3 | Very high | 163 Ų | 163 | 48.6 Ų | 48.6 | 72% | 0.715 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 1 | -175 | -53 | -76.2 | 0 | 0 | 0 | 114.2 | Y595 | Y595-F597 HydrophobicContact CD1-CB 4.34Å; Y595-F597 HydrophobicContact CD2-CD2 4.16Å; Y595-F597 HydrophobicContact CE1-CB 3.72Å; Y595-F597 HydrophobicContact CE1-CD2 4.29Å; Y595-F597 AromaticContact CE2-CD2 3.55Å; Y595-F597 HydrophobicContact CE2-CD2 3.55Å; Y595-F597 HydrophobicContact CE2-CE2 4.31Å; Y595-F597 AromaticContact CZ-CD2 3.61Å; Y595-F597 PolarHBondContact O-N 2.68Å |
| 598 | S | 91.1 | Very high | 96.2 | Very high | 27 Ų | 27 | 46.9 Ų | 46.9 | 19% | 0.189 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -128.1 | 153.6 | 172.7 | 62.6 | 0 | 0 | 0 | 0 | 110 | Y595 H601 | Y595-S598 WeakPolarHBondContact CD1-OG 3.44Å; S598-H601 PolarHBondContact OG-CE1 3Å; S598-H601 PolarHBondContact OG-ND1 2.72Å |
| 599 | D | 93.5 | Very high | 95.9 | Very high | 115 Ų | 115 | 49.8 Ų | 49.8 | 62% | 0.615 | 26% | 0.26 | S | S | * | . | trans | -70.2 | 167.4 | 165 | -61.9 | -38.4 | 0 | 0 | 0 | 110.9 | H601 K618 | D599-H601 PolarHBondContact O-N 2.93Å; D599-H601 PolarHBondContact O-ND1 2.87Å; D599-K618 IonicContact OD1-NZ 3.78Å; D599-K618 PolarHBondContact OD1-NZ 3.26Å | ||
| 600 | D | 96.3 | Very high | 95.8 | Very high | 74 Ų | 74 | 57.2 Ų | 57.2 | 40% | 0.396 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -58.5 | 126 | -178.5 | -72 | 9.6 | 0 | 0 | 0 | 110.7 | V616 Y617 K618 | D600-V616 VanDerWaalsContact CA-O 3.31Å; D600-V616 WeakPolarHBondContact CA-O 3.1Å; D600-Y617 WeakPolarHBondContact OD1-CA 3.3Å; D600-K618 PolarHBondContact OD1-N 2.9Å |
| 601 | H | 96.8 | Very high | 95.6 | Very high | 70 Ų | 70 | 62.1 Ų | 62.1 | 32% | 0.324 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | -175.7 | -179.9 | 66.5 | -76.6 | 0 | 0 | 0 | 111 | S598 D599 V616 | S598-H601 PolarHBondContact OG-CE1 3Å; S598-H601 PolarHBondContact OG-ND1 2.72Å; D599-H601 PolarHBondContact O-N 2.93Å; D599-H601 PolarHBondContact O-ND1 2.87Å; H601-V616 PolarHBondContact N-O 3.47Å; H601-V616 VanDerWaalsContact N-O 3.16Å; H601-V616 PolarHBondContact O-N 3.4Å |
| 602 | Q | 96.6 | Very high | 95.5 | Very high | 128 Ų | 128 | 63.7 Ų | 63.7 | 60% | 0.598 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 145.1 | 175.7 | -68.9 | -178.4 | -21.1 | 0 | 0 | 110.6 | F613 L614 | Q602-F613 HydrophobicContact CB-CB 4.39Å; Q602-L614 WeakPolarHBondContact CA-O 3.34Å |
| 603 | L | 96 | Very high | 95.4 | Very high | 41 Ų | 41 | 68.8 Ų | 68.8 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 142.3 | 172.9 | -70.2 | 172.1 | 0 | 0 | 0 | 110.6 | L568 F605 F613 L614 V616 | L568-L603 HydrophobicContact CD1-CD1 3.43Å; L568-L603 VanDerWaalsContact CD1-CD1 3.43Å; L603-F605 HydrophobicContact CB-CD2 4.37Å; L603-F605 HydrophobicContact CB-CE2 3.69Å; L603-F605 HydrophobicContact CB-CZ 4.36Å; L603-F605 WeakPolarHBondContact O-CD2 3.43Å; L603-F613 WeakPolarHBondContact O-CA 3.4Å; L603-L614 PolarHBondContact N-O 3.2Å; L603-L614 PolarHBondContact O-N 3.46Å; L603-V616 HydrophobicContact CB-CG2 4.34Å; L603-V616 HydrophobicContact CD1-CG2 3.49Å; L603-V616 VanDerWaalsContact CD1-CG2 3.49Å; L603-V616 HydrophobicContact CG-CG2 3.68Å |
| 604 | T | 96.8 | Very high | 95.4 | Very high | 70 Ų | 70 | 69.1 Ų | 69.1 | 43% | 0.429 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 132.6 | 177.6 | -48.2 | 0 | 0 | 0 | 0 | 110.8 | E611 L612 F613 | T604-E611 HydrophobicContact CG2-CB 4.06Å; T604-E611 HydrophobicContact CG2-CG 4.04Å; T604-L612 CarbonylContact C-O 3.18Å; T604-F613 HydrophobicContact CG2-CE1 4.33Å; T604-F613 VanDerWaalsContact OG1-CE1 3.3Å; T604-F613 WeakPolarHBondContact OG1-CE1 3.31Å |
| 605 | F | 96.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.009 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 173.9 | 174.2 | -69.1 | -83.9 | 0 | 0 | 0 | 109.9 | V570 V573 Q574 L577 L593 L603 E611 L612 L614 | V570-F605 HydrophobicContact CB-CE1 4.42Å; V570-F605 HydrophobicContact CG1-CE1 3.86Å; V570-F605 HydrophobicContact CG1-CZ 4.37Å; V570-F605 WeakPolarHBondContact O-CE1 3.44Å; V573-F605 HydrophobicContact CB-CD1 4.27Å; V573-F605 HydrophobicContact CB-CE1 3.54Å; V573-F605 HydrophobicContact CB-CZ 3.89Å; V573-F605 HydrophobicContact CG1-CD1 3.73Å; V573-F605 HydrophobicContact CG1-CD2 4.46Å; V573-F605 HydrophobicContact CG1-CE1 3.35Å; V573-F605 HydrophobicContact CG1-CE2 4.12Å; V573-F605 HydrophobicContact CG1-CG 4.28Å; V573-F605 HydrophobicContact CG1-CZ 3.56Å; Q574-F605 HydrophobicContact CB-CD1 4.3Å; L577-F605 HydrophobicContact CD1-CB 3.57Å; L577-F605 HydrophobicContact CD1-CD1 4.15Å; L577-F605 HydrophobicContact CD1-CG 3.97Å; L593-F605 HydrophobicContact CD1-CE2 4.05Å; L593-F605 HydrophobicContact CD1-CZ 4.24Å; L593-F605 HydrophobicContact CD2-CZ 4.45Å; L603-F605 HydrophobicContact CB-CD2 4.37Å; L603-F605 HydrophobicContact CB-CE2 3.69Å; L603-F605 HydrophobicContact CB-CZ 4.36Å; L603-F605 WeakPolarHBondContact O-CD2 3.43Å; F605-E611 CarbonylContact O-C 3.48Å; F605-E611 WeakPolarHBondContact O-CA 3.21Å; F605-L612 PolarHBondContact N-O 3.46Å; F605-L612 PolarHBondContact O-N 3.2Å; F605-L614 HydrophobicContact CD2-CB 3.89Å; F605-L614 HydrophobicContact CD2-CD1 3.63Å; F605-L614 HydrophobicContact CD2-CG 3.81Å; F605-L614 HydrophobicContact CE2-CB 3.92Å; F605-L614 HydrophobicContact CE2-CD1 3.83Å; F605-L614 HydrophobicContact CE2-CG 4.21Å; F605-L614 HydrophobicContact CG-CD1 4.17Å |
| 606 | Y | 96 | Very high | 95.4 | Very high | 100 Ų | 100 | 67.2 Ų | 67.2 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 136.6 | 174.3 | -69.9 | -74.7 | 0 | 0 | 0 | 112.2 | Q574 K610 E611 | Q574-Y606 PolarHBondContact NE2-O 3.33Å; Y606-K610 CarbonylContact C-O 3.48Å; Y606-K610 WeakPolarHBondContact CA-O 3.32Å; Y606-E611 HydrophobicContact CD1-CG 4.15Å; Y606-E611 HydrophobicContact CE1-CG 3.6Å |
| 607 | W | 95.6 | Very high | 95.6 | Very high | 40 Ų | 40 | 65.9 Ų | 65.9 | 15% | 0.152 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 88.5 | 166.8 | -176.2 | -103 | 0 | 0 | 0 | 108.5 | L577 D580 Y581 R585 P588 A609 K610 L612 | L577-W607 HydrophobicContact CB-CE3 4.42Å; L577-W607 HydrophobicContact CD2-CE3 4.29Å; L577-W607 HydrophobicContact CD2-CZ3 4.31Å; D580-W607 HydrophobicContact CB-CH2 3.7Å; D580-W607 HydrophobicContact CB-CZ3 3.54Å; Y581-W607 AromaticContact CD2-CD1 3.95Å; Y581-W607 HydrophobicContact CD2-CD2 4.07Å; Y581-W607 AromaticContact CD2-CE2 3.87Å; Y581-W607 HydrophobicContact CD2-CG 4.16Å; Y581-W607 HydrophobicContact CD2-CZ2 4.42Å; Y581-W607 AromaticContact CD2-NE1 3.78Å; R585-W607 HydrophobicContact CB-CH2 4.2Å; R585-W607 WeakPolarHBondContact O-CZ2 3.44Å; P588-W607 HydrophobicContact CB-CE3 4.44Å; P588-W607 HydrophobicContact CB-CZ3 4.17Å; P588-W607 HydrophobicContact CG-CD2 4.29Å; P588-W607 HydrophobicContact CG-CE3 3.81Å; P588-W607 HydrophobicContact CG-CH2 4.45Å; P588-W607 HydrophobicContact CG-CZ3 3.9Å; W607-A609 PolarHBondContact O-N 2.75Å; W607-K610 PolarHBondContact N-O 2.99Å; W607-K610 PolarHBondContact O-N 3.04Å; W607-L612 HydrophobicContact CB-CB 4.38Å |
| 608 | G | 93.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 61.1 Ų | 61.1 | 6% | 0.062 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | -120.5 | -163.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 609 | A | 92.1 | Very high | 95.9 | Very high | 83 Ų | 83 | 66.5 Ų | 66.5 | 69% | 0.686 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | W607 P934 | W607-A609 PolarHBondContact O-N 2.75Å; A609-P934 HydrophobicContact CB-CG 4Å |
| 610 | K | 94.4 | Very high | 96 | Very high | 156 Ų | 156 | 61.2 Ų | 61.2 | 68% | 0.678 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 136.9 | -174.5 | -175.3 | -177.7 | 174.3 | -176.6 | 0 | 110.7 | Y606 W607 | Y606-K610 CarbonylContact C-O 3.48Å; Y606-K610 WeakPolarHBondContact CA-O 3.32Å; W607-K610 PolarHBondContact N-O 2.99Å; W607-K610 PolarHBondContact O-N 3.04Å |
| 611 | E | 94.8 | Very high | 95.8 | Very high | 104 Ų | 104 | 61.7 Ų | 61.7 | 49% | 0.486 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 134.6 | 170.3 | -68.3 | -178.3 | -179.9 | 0 | 0 | 111.6 | T604 F605 Y606 | T604-E611 HydrophobicContact CG2-CB 4.06Å; T604-E611 HydrophobicContact CG2-CG 4.04Å; F605-E611 CarbonylContact O-C 3.48Å; F605-E611 WeakPolarHBondContact O-CA 3.21Å; Y606-E611 HydrophobicContact CD1-CG 4.15Å; Y606-E611 HydrophobicContact CE1-CG 3.6Å |
| 612 | L | 95.4 | Very high | 95.6 | Very high | 43 Ų | 43 | 61 Ų | 61 | 23% | 0.225 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 132.3 | 179.2 | 175.9 | 70.4 | 0 | 0 | 0 | 108.5 | L577 P588 T604 F605 W607 L614 | L577-L612 HydrophobicContact CD1-CD2 4.11Å; L577-L612 HydrophobicContact CD2-CD2 4.37Å; P588-L612 HydrophobicContact CB-CD2 4.26Å; P588-L612 HydrophobicContact CG-CD2 3.58Å; T604-L612 CarbonylContact C-O 3.18Å; F605-L612 PolarHBondContact N-O 3.46Å; F605-L612 PolarHBondContact O-N 3.2Å; W607-L612 HydrophobicContact CB-CB 4.38Å; L612-L614 HydrophobicContact CD2-CD2 3.99Å; L612-L614 HydrophobicContact CD2-CG 4.2Å; L612-L614 HydrophobicContact CG-CD2 4.33Å; L612-L614 HydrophobicContact CG-CG 4.43Å |
| 613 | F | 97 | Very high | 95.5 | Very high | 107 Ų | 107 | 55 Ų | 55 | 47% | 0.469 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 119.7 | 173.5 | -62.8 | -81.5 | 0 | 0 | 0 | 109.8 | Q602 L603 T604 | Q602-F613 HydrophobicContact CB-CB 4.39Å; L603-F613 WeakPolarHBondContact O-CA 3.4Å; T604-F613 HydrophobicContact CG2-CE1 4.33Å; T604-F613 VanDerWaalsContact OG1-CE1 3.3Å; T604-F613 WeakPolarHBondContact OG1-CE1 3.31Å |
| 614 | L | 97.5 | Very high | 95.4 | Very high | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 134.8 | 172.6 | -67.6 | 179.2 | 0 | 0 | 0 | 110 | V573 L577 V590 L593 Q602 L603 F605 L612 | V573-L614 HydrophobicContact CG1-CD1 3.66Å; L577-L614 HydrophobicContact CD1-CD1 4.26Å; V590-L614 HydrophobicContact CB-CD1 4.1Å; V590-L614 HydrophobicContact CG1-CD1 3.84Å; L593-L614 HydrophobicContact CD1-CB 3.99Å; L593-L614 HydrophobicContact CD1-CD1 4.26Å; Q602-L614 WeakPolarHBondContact CA-O 3.34Å; L603-L614 PolarHBondContact N-O 3.2Å; L603-L614 PolarHBondContact O-N 3.46Å; F605-L614 HydrophobicContact CD2-CB 3.89Å; F605-L614 HydrophobicContact CD2-CD1 3.63Å; F605-L614 HydrophobicContact CD2-CG 3.81Å; F605-L614 HydrophobicContact CE2-CB 3.92Å; F605-L614 HydrophobicContact CE2-CD1 3.83Å; F605-L614 HydrophobicContact CE2-CG 4.21Å; F605-L614 HydrophobicContact CG-CD1 4.17Å; L612-L614 HydrophobicContact CD2-CD2 3.99Å; L612-L614 HydrophobicContact CD2-CG 4.2Å; L612-L614 HydrophobicContact CG-CD2 4.33Å; L612-L614 HydrophobicContact CG-CG 4.43Å |
| 615 | P | 98 | Very high | 95.1 | Very high | 25 Ų | 25 | 52.4 Ų | 52.4 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 143.3 | 176.4 | 30.2 | -33.6 | 0 | 0 | 0 | 111.1 | A592 L593 Y617 | A592-P615 WeakPolarHBondContact CA-O 3.49Å; A592-P615 HydrophobicContact CB-CG 3.88Å; L593-P615 PolarHBondContact N-O 2.74Å; P615-Y617 HydrophobicContact CB-CE1 4.5Å; P615-Y617 HydrophobicContact CB-CE2 3.83Å; P615-Y617 HydrophobicContact CG-CE2 3.88Å |
| 616 | V | 98.3 | Very high | 95 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124.4 | 171.1 | -172.7 | 0 | 0 | 0 | 0 | 107.8 | L593 D600 H601 L603 | L593-V616 HydrophobicContact CB-CG1 4.33Å; L593-V616 HydrophobicContact CB-CG2 4.24Å; L593-V616 CarbonylContact O-C 3.54Å; L593-V616 WeakPolarHBondContact O-CA 3.48Å; D600-V616 VanDerWaalsContact CA-O 3.31Å; D600-V616 WeakPolarHBondContact CA-O 3.1Å; H601-V616 PolarHBondContact N-O 3.47Å; H601-V616 VanDerWaalsContact N-O 3.16Å; H601-V616 PolarHBondContact O-N 3.4Å; L603-V616 HydrophobicContact CB-CG2 4.34Å; L603-V616 HydrophobicContact CD1-CG2 3.49Å; L603-V616 VanDerWaalsContact CD1-CG2 3.49Å; L603-V616 HydrophobicContact CG-CG2 3.68Å |
| 617 | Y | 98 | Very high | 94.9 | Very high | 21 Ų | 21 | 54.9 Ų | 54.9 | 8% | 0.082 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 142.3 | 179.3 | -62.9 | -71 | 0 | 0 | 0 | 111.3 | A592 L593 I594 Y595 D600 P615 N622 A623 K626 H627 | A592-Y617 HydrophobicContact CB-CD2 3.84Å; A592-Y617 HydrophobicContact CB-CE2 3.62Å; L593-Y617 PolarHBondContact O-N 2.74Å; I594-Y617 CarbonylContact C-O 2.98Å; I594-Y617 VanDerWaalsContact CA-O 3.3Å; I594-Y617 WeakPolarHBondContact CA-O 3.47Å; Y595-Y617 PolarHBondContact N-O 3.02Å; D600-Y617 WeakPolarHBondContact OD1-CA 3.3Å; P615-Y617 HydrophobicContact CB-CE1 4.5Å; P615-Y617 HydrophobicContact CB-CE2 3.83Å; P615-Y617 HydrophobicContact CG-CE2 3.88Å; Y617-N622 HydrophobicContact CD1-CB 4.36Å; Y617-A623 HydrophobicContact CD2-CB 3.39Å; Y617-A623 HydrophobicContact CE2-CB 4.1Å; Y617-A623 HydrophobicContact CG-CB 3.93Å; Y617-K626 HydrophobicContact CE1-CD 3.49Å; Y617-K626 VanDerWaalsContact CE1-CD 3.49Å; Y617-K626 VanDerWaalsContact OH-CD 3.24Å; Y617-K626 WeakPolarHBondContact OH-CD 3.38Å; Y617-H627 AromaticContact CE2-CD2 3.74Å; Y617-H627 AromaticContact CE2-NE2 3.54Å; Y617-H627 AromaticContact CZ-NE2 3.94Å; Y617-H627 PolarHBondContact OH-NE2 2.71Å |
| 618 | K | 96.7 | Very high | 94.7 | Very high | 62 Ų | 62 | 55.3 Ų | 55.3 | 27% | 0.27 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -69.4 | -40.4 | 171.9 | -173.7 | 172 | -170.9 | 163.1 | 0 | 112.6 | D599 D600 | D599-K618 IonicContact OD1-NZ 3.78Å; D599-K618 PolarHBondContact OD1-NZ 3.26Å; D600-K618 PolarHBondContact OD1-N 2.9Å |
| 619 | Y | 94.9 | Very high | 94.6 | Very high | 141 Ų | 141 | 59.1 Ų | 59.1 | 55% | 0.553 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -113.5 | 133.5 | -175.2 | -58 | -69.6 | 0 | 0 | 0 | 111.4 | L621 N622 A623 | Y619-L621 VanDerWaalsContact C-N 3.3Å; Y619-L621 PolarHBondContact O-N 2.8Å; Y619-N622 PolarHBondContact O-N 3.46Å; Y619-A623 PolarHBondContact O-N 2.9Å |
| 620 | M | 94.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.02 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 179.6 | -179.8 | -175.5 | -47.3 | 0 | 0 | 111.9 | I594 N622 A623 M624 I645 E648 A649 | I594-M620 HydrophobicContact CD1-CB 4.04Å; I594-M620 HydrophobicContact CD1-CG 3.78Å; I594-M620 HydrophobicContact CG2-CB 4.36Å; M620-N622 VanDerWaalsContact C-N 3.26Å; M620-N622 PolarHBondContact O-N 3.43Å; M620-A623 WeakPolarHBondContact O-CB 3.12Å; M620-A623 PolarHBondContact O-N 3.23Å; M620-M624 HydrophobicContact CG-CE 3.83Å; M620-M624 HydrophobicContact CG-CG 4.23Å; M620-M624 HydrophobicContact CG-SD 3.99Å; M620-M624 PolarHBondContact O-N 3.39Å; M620-M624 HydrophobicContact SD-CE 3.58Å; M620-M624 VanDerWaalsContact SD-CE 3.58Å; M620-M624 HydrophobicContact SD-SD 4.18Å; M620-I645 HydrophobicContact CE-CB 4.44Å; M620-I645 HydrophobicContact CE-CD1 4.43Å; M620-I645 HydrophobicContact CE-CG2 3.58Å; M620-E648 HydrophobicContact CE-CB 4.44Å; M620-E648 HydrophobicContact CE-CG 4.41Å; M620-E648 HydrophobicContact SD-CG 4.23Å; M620-A649 HydrophobicContact CE-CB 4.32Å; M620-A649 HydrophobicContact SD-CB 3.68Å |
| 621 | L | 92.4 | Very high | 94.7 | Very high | 83 Ų | 83 | 50.7 Ų | 50.7 | 44% | 0.435 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55 | -42.2 | 179.3 | -169.1 | 63.2 | 0 | 0 | 0 | 111.9 | Y619 A623 M624 H625 V652 | Y619-L621 VanDerWaalsContact C-N 3.3Å; Y619-L621 PolarHBondContact O-N 2.8Å; L621-A623 PolarHBondContact O-N 3.48Å; L621-M624 PolarHBondContact O-N 3.28Å; L621-H625 WeakPolarHBondContact CD1-CE1 3.23Å; L621-H625 VanDerWaalsContact CG-CE1 3.44Å; L621-H625 WeakPolarHBondContact CG-CE1 3.08Å; L621-H625 PolarHBondContact O-N 3.29Å; L621-H625 PolarHBondContact O-ND1 3.15Å; L621-V652 HydrophobicContact CD1-CG2 4.2Å |
| 622 | N | 92.4 | Very high | 94.8 | Very high | 57 Ų | 57 | 45.9 Ų | 45.9 | 31% | 0.305 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.4 | -39.4 | 177.7 | -71.8 | -4.9 | 0 | 0 | 0 | 112.2 | Y617 Y619 M620 K626 | Y617-N622 HydrophobicContact CD1-CB 4.36Å; Y619-N622 PolarHBondContact O-N 3.46Å; M620-N622 VanDerWaalsContact C-N 3.26Å; M620-N622 PolarHBondContact O-N 3.43Å; N622-K626 WeakPolarHBondContact O-CB 3.28Å; N622-K626 WeakPolarHBondContact O-CG 3.42Å; N622-K626 PolarHBondContact O-N 3.44Å; N622-K626 VanDerWaalsContact O-N 3.09Å |
| 623 | A | 94.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.6 | -45.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L564 I594 Y617 Y619 M620 L621 H625 K626 H627 | L564-A623 HydrophobicContact CD1-CB 4.32Å; L564-A623 HydrophobicContact CD2-CB 4.26Å; I594-A623 HydrophobicContact CD1-CB 4.03Å; I594-A623 HydrophobicContact CG1-CB 3.71Å; Y617-A623 HydrophobicContact CD2-CB 3.39Å; Y617-A623 HydrophobicContact CE2-CB 4.1Å; Y617-A623 HydrophobicContact CG-CB 3.93Å; Y619-A623 PolarHBondContact O-N 2.9Å; M620-A623 WeakPolarHBondContact O-CB 3.12Å; M620-A623 PolarHBondContact O-N 3.23Å; L621-A623 PolarHBondContact O-N 3.48Å; A623-H625 PolarHBondContact O-N 3.41Å; A623-K626 PolarHBondContact O-N 3.24Å; A623-H627 WeakPolarHBondContact O-CB 3.39Å; A623-H627 PolarHBondContact O-CD2 3.28Å; A623-H627 PolarHBondContact O-N 2.97Å |
| 624 | M | 94 | Very high | 95 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63 | -41.9 | 178.9 | -74.2 | -174.4 | 168.7 | 0 | 0 | 112.3 | L564 M620 L621 H627 A649 V652 Q686 I687 | L564-M624 HydrophobicContact CD1-CE 4.4Å; L564-M624 HydrophobicContact CD1-CG 3.64Å; M620-M624 HydrophobicContact CG-CE 3.83Å; M620-M624 HydrophobicContact CG-CG 4.23Å; M620-M624 HydrophobicContact CG-SD 3.99Å; M620-M624 PolarHBondContact O-N 3.39Å; M620-M624 HydrophobicContact SD-CE 3.58Å; M620-M624 VanDerWaalsContact SD-CE 3.58Å; M620-M624 HydrophobicContact SD-SD 4.18Å; L621-M624 PolarHBondContact O-N 3.28Å; M624-H627 CarbonylContact O-C 3.48Å; M624-H627 PolarHBondContact O-N 3.05Å; M624-A649 HydrophobicContact CE-CB 3.94Å; M624-V652 HydrophobicContact CB-CG1 4.38Å; M624-V652 HydrophobicContact SD-CB 3.67Å; M624-V652 HydrophobicContact SD-CG1 3.79Å; M624-V652 HydrophobicContact SD-CG2 3.64Å; M624-Q686 PolarHBondContact O-NE2 2.84Å; M624-Q686 PolarHBondContact O-OE1 2.99Å; M624-I687 HydrophobicContact CE-CD1 3.98Å; M624-I687 HydrophobicContact CE-CG1 3.44Å; M624-I687 VanDerWaalsContact CE-CG1 3.44Å |
| 625 | H | 90.4 | Very high | 95 | Very high | 58 Ų | 58 | 38.4 Ų | 38.4 | 27% | 0.269 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 174.3 | -76.8 | 99.3 | 0 | 0 | 0 | 113.5 | L621 A623 I655 Y660 | L621-H625 WeakPolarHBondContact CD1-CE1 3.23Å; L621-H625 VanDerWaalsContact CG-CE1 3.44Å; L621-H625 WeakPolarHBondContact CG-CE1 3.08Å; L621-H625 PolarHBondContact O-N 3.29Å; L621-H625 PolarHBondContact O-ND1 3.15Å; A623-H625 PolarHBondContact O-N 3.41Å; H625-I655 HydrophobicContact CB-CD1 4.25Å; H625-I655 WeakPolarHBondContact CD2-CD1 3.36Å; H625-Y660 AromaticContact CD2-CE2 3.98Å |
| 626 | K | 94.3 | Very high | 94.9 | Very high | 121 Ų | 121 | 38.6 Ų | 38.6 | 53% | 0.526 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -79.3 | -18.8 | -178.5 | -72.2 | 178.4 | 178.7 | 175.2 | 0 | 113.3 | Y617 N622 A623 P628 | Y617-K626 HydrophobicContact CE1-CD 3.49Å; Y617-K626 VanDerWaalsContact CE1-CD 3.49Å; Y617-K626 VanDerWaalsContact OH-CD 3.24Å; Y617-K626 WeakPolarHBondContact OH-CD 3.38Å; N622-K626 WeakPolarHBondContact O-CB 3.28Å; N622-K626 WeakPolarHBondContact O-CG 3.42Å; N622-K626 PolarHBondContact O-N 3.44Å; N622-K626 VanDerWaalsContact O-N 3.09Å; A623-K626 PolarHBondContact O-N 3.24Å; K626-P628 VanDerWaalsContact C-CD 3.48Å |
| 627 | H | 94.5 | Very high | 94.8 | Very high | 32 Ų | 32 | 38.7 Ų | 38.7 | 15% | 0.148 | 18% | 0.18 | C | C | . | . | trans | -128.2 | 65.5 | -178.9 | -60.8 | -79.4 | 0 | 0 | 0 | 111.9 | L564 A591 Y617 A623 M624 D629 A630 Q686 | L564-H627 HydrophobicContact CD2-CB 4.23Å; A591-H627 HydrophobicContact CB-CB 4.13Å; A591-H627 PolarHBondContact O-CE1 2.91Å; Y617-H627 AromaticContact CE2-CD2 3.74Å; Y617-H627 AromaticContact CE2-NE2 3.54Å; Y617-H627 AromaticContact CZ-NE2 3.94Å; Y617-H627 PolarHBondContact OH-NE2 2.71Å; A623-H627 WeakPolarHBondContact O-CB 3.39Å; A623-H627 PolarHBondContact O-CD2 3.28Å; A623-H627 PolarHBondContact O-N 2.97Å; M624-H627 CarbonylContact O-C 3.48Å; M624-H627 PolarHBondContact O-N 3.05Å; H627-D629 PolarHBondContact O-N 2.83Å; H627-D629 VanDerWaalsContact O-N 3.17Å; H627-A630 HydrophobicContact CB-CB 4.18Å; H627-A630 WeakPolarHBondContact O-CB 3.38Å; H627-A630 PolarHBondContact O-N 3.13Å; H627-Q686 PolarHBondContact O-NE2 3.19Å | ||
| 628 | P | 91.4 | Very high | 94.5 | Very high | 49 Ų | 49 | 40.8 Ų | 40.8 | 32% | 0.318 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.4 | -179.5 | 28 | -35.9 | 0 | 0 | 0 | 113.4 | K626 A630 | K626-P628 VanDerWaalsContact C-CD 3.48Å; P628-A630 VanDerWaalsContact C-N 3.34Å |
| 629 | D | 91.3 | Very high | 94.1 | Very high | 86 Ų | 86 | 39.8 Ų | 39.8 | 46% | 0.46 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -14.8 | 175.5 | 64.8 | -34.3 | 0 | 0 | 0 | 113.6 | K562 H627 R631 | K562-D629 WeakPolarHBondContact CG-OD2 3.34Å; H627-D629 PolarHBondContact O-N 2.83Å; H627-D629 VanDerWaalsContact O-N 3.17Å; D629-R631 PolarHBondContact O-N 3.25Å |
| 630 | A | 94.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 112.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | K562 L564 A591 H627 P628 | K562-A630 HydrophobicContact CB-CB 4.38Å; L564-A630 HydrophobicContact CD1-CB 4.4Å; L564-A630 HydrophobicContact CD2-CB 4.03Å; L564-A630 HydrophobicContact CG-CB 3.76Å; A591-A630 HydrophobicContact CB-CB 4.26Å; H627-A630 HydrophobicContact CB-CB 4.18Å; H627-A630 WeakPolarHBondContact O-CB 3.38Å; H627-A630 PolarHBondContact O-N 3.13Å; P628-A630 VanDerWaalsContact C-N 3.34Å |
| 631 | R | 94 | Very high | 93.9 | Very high | 63 Ų | 63 | 43 Ų | 43 | 24% | 0.238 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -5.6 | -177.6 | -61.9 | -61.4 | -158.5 | 137 | 11.7 | 113.5 | K562 D629 Q686 K688 C689 | K562-R631 PolarHBondContact O-N 3.37Å; K562-R631 VanDerWaalsContact O-N 3.07Å; D629-R631 PolarHBondContact O-N 3.25Å; R631-Q686 WeakPolarHBondContact CD-O 3.21Å; R631-Q686 PolarHBondContact NH1-O 3.37Å; R631-K688 HydrophobicContact CB-CG 4.47Å; R631-K688 PolarHBondContact O-N 3.37Å; R631-C689 PolarHBondContact O-N 3.2Å |
| 632 | I | 96.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 137.7 | -178.2 | -50.5 | -64.9 | 0 | 0 | 0 | 109.5 | F557 T561 K562 C563 L564 V634 C689 F730 | F557-I632 HydrophobicContact CD1-CD1 4.43Å; F557-I632 HydrophobicContact CE1-CD1 4.16Å; T561-I632 HydrophobicContact CG2-CD1 4.29Å; T561-I632 HydrophobicContact CG2-CG1 3.48Å; T561-I632 VanDerWaalsContact CG2-CG1 3.48Å; K562-I632 PolarHBondContact O-N 3.33Å; C563-I632 CarbonylContact C-O 3.55Å; C563-I632 WeakPolarHBondContact CA-O 3.27Å; C563-I632 HydrophobicContact CB-CB 3.7Å; C563-I632 HydrophobicContact CB-CG2 4.07Å; C563-I632 WeakPolarHBondContact CB-O 3.35Å; L564-I632 PolarHBondContact N-O 3.27Å; I632-V634 HydrophobicContact CG2-CG2 4.38Å; I632-C689 WeakPolarHBondContact CA-O 3.43Å; I632-C689 HydrophobicContact CD1-CB 3.59Å; I632-F730 HydrophobicContact CG2-CE1 4.35Å; I632-F730 HydrophobicContact CG2-CZ 4.23Å |
| 633 | L | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 122.8 | 167.1 | 178.7 | 65.9 | 0 | 0 | 0 | 109.3 | L564 W566 A649 I687 C689 I690 A691 | L564-L633 HydrophobicContact CB-CD1 3.95Å; W566-L633 HydrophobicContact CB-CD1 4.28Å; L633-A649 HydrophobicContact CD2-CB 3.38Å; L633-I687 HydrophobicContact CB-CD1 4.38Å; L633-I687 HydrophobicContact CB-CG2 4.1Å; L633-C689 PolarHBondContact N-O 3.13Å; L633-I690 HydrophobicContact CB-CG1 4.28Å; L633-I690 HydrophobicContact CB-CG2 4.35Å; L633-I690 HydrophobicContact CD2-CG2 4.27Å; L633-I690 HydrophobicContact CG-CG2 4.45Å; L633-I690 CarbonylContact O-C 3.59Å; L633-I690 WeakPolarHBondContact O-CA 3.34Å; L633-A691 PolarHBondContact O-N 3.04Å |
| 634 | V | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 108.8 | 169.2 | -171.1 | 0 | 0 | 0 | 0 | 108.2 | C563 L564 I565 W566 I632 F636 A691 I693 I732 | C563-V634 HydrophobicContact CB-CG2 4.42Å; L564-V634 PolarHBondContact O-N 3.24Å; I565-V634 HydrophobicContact CD1-CB 3.69Å; I565-V634 HydrophobicContact CD1-CG1 4.45Å; I565-V634 HydrophobicContact CD1-CG2 3.83Å; W566-V634 PolarHBondContact N-O 2.95Å; I632-V634 HydrophobicContact CG2-CG2 4.38Å; V634-F636 HydrophobicContact CB-CE2 4.39Å; V634-F636 HydrophobicContact CG1-CD2 3.89Å; V634-F636 HydrophobicContact CG1-CE2 3.44Å; V634-F636 VanDerWaalsContact CG1-CE2 3.44Å; V634-F636 HydrophobicContact CG1-CZ 4.16Å; V634-A691 HydrophobicContact CG1-CB 4.46Å; V634-I693 HydrophobicContact CG1-CD1 4.26Å; V634-I693 HydrophobicContact CG1-CG1 4.18Å; V634-I732 HydrophobicContact CG1-CG2 3.83Å; V634-I732 HydrophobicContact CG2-CG2 4.13Å |
| 635 | N | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 101.5 | -172.8 | -172.1 | 5.6 | 0 | 0 | 0 | 111.6 | A637 A642 C646 I690 A691 I693 | N635-A637 VanDerWaalsContact C-N 3.35Å; N635-A637 WeakPolarHBondContact OD1-CB 3.21Å; N635-A637 PolarHBondContact OD1-N 3.25Å; N635-A642 PolarHBondContact ND2-O 3.5Å; N635-C646 PolarHBondContact ND2-SG 3.47Å; N635-I690 HydrophobicContact CB-CG2 4.44Å; N635-A691 PolarHBondContact N-O 2.91Å; N635-I693 WeakPolarHBondContact O-CB 3.17Å; N635-I693 WeakPolarHBondContact O-CG1 3.22Å; N635-I693 PolarHBondContact O-N 3.18Å |
| 636 | F | 96.8 | Very high | 94.8 | Very high | 30 Ų | 30 | 40.2 Ų | 40.2 | 13% | 0.132 | 20% | 0.197 | C | C | . | . | trans | -94.8 | 17.6 | 172 | -69.9 | -93.2 | 0 | 0 | 0 | 113.2 | I565 W566 Q569 A572 V634 I693 | I565-F636 HydrophobicContact CG2-CD2 4.09Å; I565-F636 HydrophobicContact CG2-CE2 4.3Å; W566-F636 WeakPolarHBondContact O-CB 3.47Å; W566-F636 PolarHBondContact O-N 2.93Å; W566-F636 VanDerWaalsContact O-N 3.13Å; Q569-F636 HydrophobicContact CB-CD2 4.25Å; Q569-F636 HydrophobicContact CB-CE2 4.28Å; Q569-F636 HydrophobicContact CB-CG 4.5Å; Q569-F636 HydrophobicContact CG-CB 3.71Å; Q569-F636 HydrophobicContact CG-CD1 3.84Å; Q569-F636 HydrophobicContact CG-CD2 3.68Å; Q569-F636 HydrophobicContact CG-CE1 4.28Å; Q569-F636 HydrophobicContact CG-CE2 4.13Å; Q569-F636 HydrophobicContact CG-CG 3.51Å; Q569-F636 HydrophobicContact CG-CZ 4.41Å; A572-F636 HydrophobicContact CB-CE2 4.38Å; A572-F636 HydrophobicContact CB-CZ 3.85Å; V634-F636 HydrophobicContact CB-CE2 4.39Å; V634-F636 HydrophobicContact CG1-CD2 3.89Å; V634-F636 HydrophobicContact CG1-CE2 3.44Å; V634-F636 VanDerWaalsContact CG1-CE2 3.44Å; V634-F636 HydrophobicContact CG1-CZ 4.16Å; F636-I693 HydrophobicContact CD1-CB 4.03Å; F636-I693 HydrophobicContact CD1-CG1 3.89Å; F636-I693 HydrophobicContact CD1-CG2 3.85Å; F636-I693 HydrophobicContact CD2-CG1 4.41Å; F636-I693 HydrophobicContact CE1-CB 4.37Å; F636-I693 HydrophobicContact CE1-CG1 3.95Å; F636-I693 HydrophobicContact CE1-CG2 3.95Å; F636-I693 HydrophobicContact CE2-CG1 4.47Å; F636-I693 HydrophobicContact CG-CB 4.48Å; F636-I693 HydrophobicContact CG-CG1 4.13Å; F636-I693 HydrophobicContact CZ-CG1 4.25Å | ||
| 637 | A | 95.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 2% | 0.017 | 18% | 0.178 | C | C | . | . | trans | -59.3 | 150.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | W566 N635 V641 A642 I645 A694 | W566-A637 HydrophobicContact CD2-CB 3.98Å; W566-A637 VanDerWaalsContact CE3-CA 3.47Å; W566-A637 HydrophobicContact CE3-CB 3.44Å; W566-A637 VanDerWaalsContact CE3-CB 3.44Å; W566-A637 HydrophobicContact CH2-CB 3.82Å; W566-A637 HydrophobicContact CZ2-CB 4.29Å; W566-A637 HydrophobicContact CZ3-CB 3.4Å; W566-A637 VanDerWaalsContact CZ3-CB 3.4Å; N635-A637 VanDerWaalsContact C-N 3.35Å; N635-A637 WeakPolarHBondContact OD1-CB 3.21Å; N635-A637 PolarHBondContact OD1-N 3.25Å; A637-V641 HydrophobicContact CB-CG2 3.98Å; A637-A642 HydrophobicContact CB-CB 4.19Å; A637-I645 HydrophobicContact CB-CG1 4.28Å; A637-A694 WeakPolarHBondContact O-CB 3.12Å | ||
| 638 | S | 92.1 | Very high | 94.9 | Very high | 66 Ų | 66 | 37.7 Ų | 37.7 | 46% | 0.462 | 19% | 0.188 | S | C | . | . | trans | -64.8 | 157.7 | 173.6 | 77.4 | 0 | 0 | 0 | 0 | 111 | R640 V641 A642 | S638-R640 PolarHBondContact O-N 3.31Å; S638-V641 PolarHBondContact O-N 2.84Å; S638-A642 WeakPolarHBondContact O-CB 3.46Å; S638-A642 PolarHBondContact O-N 3.32Å | ||
| 639 | L | 88.6 | Confident | 95 | Very high | 41 Ų | 41 | 35.3 Ų | 35.3 | 22% | 0.215 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -26.2 | 177.9 | 68.2 | 88.6 | 0 | 0 | 0 | 114.4 | M1 E695 | M1-L639 HydrophobicContact CE-CD2 4.35Å; L639-E695 WeakPolarHBondContact CB-O 3.19Å; L639-E695 WeakPolarHBondContact CD2-O 3.3Å |
| 640 | R | 91.1 | Very high | 95.2 | Very high | 155 Ų | 155 | 31.2 Ų | 31.2 | 59% | 0.585 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -24 | -177.5 | -59.8 | 179.6 | -177.5 | -101.2 | -4 | 114.2 | S638 | S638-R640 PolarHBondContact O-N 3.31Š|
| 641 | V | 94.1 | Very high | 95 | Very high | 56 Ų | 56 | 36.7 Ų | 36.7 | 34% | 0.339 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130 | -10.1 | -174.1 | -71.7 | 0 | 0 | 0 | 0 | 112.7 | W566 A637 S638 Y643 D644 I645 | W566-V641 HydrophobicContact CH2-CG2 4.49Å; A637-V641 HydrophobicContact CB-CG2 3.98Å; S638-V641 PolarHBondContact O-N 2.84Å; V641-Y643 PolarHBondContact O-N 2.6Å; V641-D644 PolarHBondContact O-N 3.14Å; V641-D644 VanDerWaalsContact O-N 3.11Å; V641-I645 WeakPolarHBondContact O-CG1 3.45Å; V641-I645 PolarHBondContact O-N 3.37Å; V641-I645 VanDerWaalsContact O-N 3.15Å |
| 642 | A | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.8 | -36.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | N635 A637 S638 C646 I692 A694 I697 | N635-A642 PolarHBondContact ND2-O 3.5Å; A637-A642 HydrophobicContact CB-CB 4.19Å; S638-A642 WeakPolarHBondContact O-CB 3.46Å; S638-A642 PolarHBondContact O-N 3.32Å; A642-C646 WeakPolarHBondContact O-CB 3.34Å; A642-C646 PolarHBondContact O-N 3.19Å; A642-C646 PolarHBondContact O-SG 3.46Å; A642-I692 HydrophobicContact CB-CG2 4.49Å; A642-A694 HydrophobicContact CB-CB 3.98Å; A642-I697 HydrophobicContact CB-CD1 3.61Å; A642-I697 HydrophobicContact CB-CG1 4.33Å |
| 643 | Y | 96.5 | Very high | 94.1 | Very high | 36 Ų | 36 | 38 Ų | 38 | 14% | 0.141 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.5 | -51.5 | 174.4 | 171.9 | -94.3 | 0 | 0 | 0 | 112.9 | V641 I645 C646 M647 M701 R704 L705 | V641-Y643 PolarHBondContact O-N 2.6Å; Y643-I645 VanDerWaalsContact C-N 3.32Å; Y643-I645 PolarHBondContact O-N 2.92Å; Y643-C646 PolarHBondContact O-N 3.4Å; Y643-C646 VanDerWaalsContact O-N 3.16Å; Y643-M647 HydrophobicContact CD1-CG 4.38Å; Y643-M647 HydrophobicContact CD2-CE 4.46Å; Y643-M647 HydrophobicContact CE1-CG 3.99Å; Y643-M647 HydrophobicContact CE2-CE 3.5Å; Y643-M647 VanDerWaalsContact CE2-CE 3.5Å; Y643-M647 HydrophobicContact CE2-CG 4.19Å; Y643-M647 PolarHBondContact O-N 3.43Å; Y643-M647 VanDerWaalsContact OH-CE 3.28Å; Y643-M647 WeakPolarHBondContact OH-CE 3.31Å; Y643-M701 HydrophobicContact CD1-CE 3.45Å; Y643-M701 VanDerWaalsContact CD1-CE 3.45Å; Y643-M701 HydrophobicContact CD2-CB 3.58Å; Y643-M701 HydrophobicContact CD2-CE 3.93Å; Y643-M701 HydrophobicContact CD2-CG 4.12Å; Y643-M701 HydrophobicContact CE1-CE 4.19Å; Y643-M701 HydrophobicContact CE2-CB 3.92Å; Y643-M701 HydrophobicContact CE2-CG 4.25Å; Y643-M701 WeakPolarHBondContact CE2-O 3.38Å; Y643-M701 HydrophobicContact CG-CB 4.21Å; Y643-M701 HydrophobicContact CG-CE 3.29Å; Y643-M701 HydrophobicContact CG-CG 4.43Å; Y643-R704 HydrophobicContact CE2-CB 4.08Å; Y643-L705 HydrophobicContact CD2-CD1 4.11Å; Y643-L705 HydrophobicContact CD2-CD2 3.78Å; Y643-L705 HydrophobicContact CD2-CG 3.7Å; Y643-L705 HydrophobicContact CE2-CD2 4.12Å; Y643-L705 HydrophobicContact CE2-CG 4.1Å |
| 644 | D | 95.9 | Very high | 92.9 | Very high | 86 Ų | 86 | 38.9 Ų | 38.9 | 46% | 0.46 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.8 | -42.1 | -176.8 | -58.1 | -47.7 | 0 | 0 | 0 | 110.9 | V641 C646 M647 E648 | V641-D644 PolarHBondContact O-N 3.14Å; V641-D644 VanDerWaalsContact O-N 3.11Å; D644-C646 VanDerWaalsContact C-N 3.34Å; D644-C646 PolarHBondContact O-N 3.27Å; D644-M647 PolarHBondContact O-N 3.35Å; D644-E648 WeakPolarHBondContact O-CB 3.47Å; D644-E648 PolarHBondContact O-N 3.02Å |
| 645 | I | 96.6 | Very high | 91.4 | Very high | 18 Ų | 18 | 40.7 Ų | 40.7 | 9% | 0.092 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -40.4 | 176.5 | -63.2 | -48 | 0 | 0 | 0 | 111.6 | W566 M620 A637 V641 Y643 A649 | W566-I645 HydrophobicContact CB-CG2 4.38Å; W566-I645 HydrophobicContact CD2-CG1 4.38Å; W566-I645 HydrophobicContact CD2-CG2 4.23Å; W566-I645 HydrophobicContact CG-CG2 3.75Å; W566-I645 HydrophobicContact CZ2-CD1 3.83Å; W566-I645 HydrophobicContact CZ2-CG1 3.84Å; W566-I645 VanDerWaalsContact NE1-CD1 3.29Å; M620-I645 HydrophobicContact CE-CB 4.44Å; M620-I645 HydrophobicContact CE-CD1 4.43Å; M620-I645 HydrophobicContact CE-CG2 3.58Å; A637-I645 HydrophobicContact CB-CG1 4.28Å; V641-I645 WeakPolarHBondContact O-CG1 3.45Å; V641-I645 PolarHBondContact O-N 3.37Å; V641-I645 VanDerWaalsContact O-N 3.15Å; Y643-I645 VanDerWaalsContact C-N 3.32Å; Y643-I645 PolarHBondContact O-N 2.92Å; I645-A649 VanDerWaalsContact O-CB 3.28Å; I645-A649 WeakPolarHBondContact O-CB 3.39Å; I645-A649 PolarHBondContact O-N 3.13Å |
| 646 | C | 97.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67 | -42.2 | 175.2 | -71.5 | 0 | 0 | 0 | 0 | 111.7 | N635 A642 Y643 D644 A649 M650 L705 | N635-C646 PolarHBondContact ND2-SG 3.47Å; A642-C646 WeakPolarHBondContact O-CB 3.34Å; A642-C646 PolarHBondContact O-N 3.19Å; A642-C646 PolarHBondContact O-SG 3.46Å; Y643-C646 PolarHBondContact O-N 3.4Å; Y643-C646 VanDerWaalsContact O-N 3.16Å; D644-C646 VanDerWaalsContact C-N 3.34Å; D644-C646 PolarHBondContact O-N 3.27Å; C646-A649 PolarHBondContact O-N 3.3Å; C646-M650 HydrophobicContact CB-CE 4.34Å; C646-M650 WeakPolarHBondContact O-CB 3.06Å; C646-M650 WeakPolarHBondContact O-CE 3.42Å; C646-M650 VanDerWaalsContact O-CG 3.22Å; C646-M650 WeakPolarHBondContact O-CG 3.25Å; C646-M650 PolarHBondContact O-N 3.49Å; C646-L705 HydrophobicContact CB-CD1 4.31Å; C646-L705 HydrophobicContact CB-CD2 3.56Å |
| 647 | M | 95.5 | Very high | 87.1 | Confident | 22 Ų | 22 | 49 Ų | 49 | 11% | 0.108 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 176.5 | -73.1 | -60.8 | -167.3 | 0 | 0 | 111.6 | M156 Y643 D644 A649 M650 E651 R704 L705 R708 | M156-M647 HydrophobicContact CE-CE 4.22Å; Y643-M647 HydrophobicContact CD1-CG 4.38Å; Y643-M647 HydrophobicContact CD2-CE 4.46Å; Y643-M647 HydrophobicContact CE1-CG 3.99Å; Y643-M647 HydrophobicContact CE2-CE 3.5Å; Y643-M647 VanDerWaalsContact CE2-CE 3.5Å; Y643-M647 HydrophobicContact CE2-CG 4.19Å; Y643-M647 PolarHBondContact O-N 3.43Å; Y643-M647 VanDerWaalsContact OH-CE 3.28Å; Y643-M647 WeakPolarHBondContact OH-CE 3.31Å; D644-M647 PolarHBondContact O-N 3.35Å; M647-A649 PolarHBondContact O-N 2.78Å; M647-M650 PolarHBondContact O-N 2.99Å; M647-M650 HydrophobicContact SD-CE 3.8Å; M647-E651 WeakPolarHBondContact O-CG 3.48Å; M647-E651 PolarHBondContact O-N 2.8Å; M647-R704 HydrophobicContact CE-CB 4.01Å; M647-L705 HydrophobicContact CE-CD2 3.96Å; M647-L705 HydrophobicContact CG-CD2 3.97Å; M647-L705 HydrophobicContact SD-CD2 3.99Å; M647-R708 HydrophobicContact CE-CB 4.2Å; M647-R708 HydrophobicContact SD-CB 4.01Å; M647-R708 HydrophobicContact SD-CG 3.82Å |
| 648 | E | 94.6 | Very high | 84.5 | Confident | 78 Ų | 78 | 53.6 Ų | 53.6 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.4 | -47.8 | 175.6 | -175 | -172 | 174.9 | 0 | 0 | 111.2 | M620 D644 M650 E651 | M620-E648 HydrophobicContact CE-CB 4.44Å; M620-E648 HydrophobicContact CE-CG 4.41Å; M620-E648 HydrophobicContact SD-CG 4.23Å; D644-E648 WeakPolarHBondContact O-CB 3.47Å; D644-E648 PolarHBondContact O-N 3.02Å; E648-M650 VanDerWaalsContact C-N 3.31Å; E648-M650 PolarHBondContact O-N 3.44Å; E648-E651 WeakPolarHBondContact O-CB 3.45Å; E648-E651 PolarHBondContact O-N 3.07Å; E648-E651 VanDerWaalsContact O-N 3.09Å |
| 649 | A | 95 | Very high | 82 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.2 | -34.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M620 M624 L633 I645 C646 M647 E651 I690 | M620-A649 HydrophobicContact CE-CB 4.32Å; M620-A649 HydrophobicContact SD-CB 3.68Å; M624-A649 HydrophobicContact CE-CB 3.94Å; L633-A649 HydrophobicContact CD2-CB 3.38Å; I645-A649 VanDerWaalsContact O-CB 3.28Å; I645-A649 WeakPolarHBondContact O-CB 3.39Å; I645-A649 PolarHBondContact O-N 3.13Å; C646-A649 PolarHBondContact O-N 3.3Å; M647-A649 PolarHBondContact O-N 2.78Å; A649-E651 VanDerWaalsContact C-N 3.25Å; A649-E651 PolarHBondContact O-N 3.17Å; A649-I690 HydrophobicContact CB-CD1 4.11Å |
| 650 | M | 94.5 | Very high | 79.4 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -76.4 | -11.8 | 177.1 | -70 | -170.8 | -76.1 | 0 | 0 | 112.6 | C646 M647 E648 I690 L705 R708 R712 I714 L716 | C646-M650 HydrophobicContact CB-CE 4.34Å; C646-M650 WeakPolarHBondContact O-CB 3.06Å; C646-M650 WeakPolarHBondContact O-CE 3.42Å; C646-M650 VanDerWaalsContact O-CG 3.22Å; C646-M650 WeakPolarHBondContact O-CG 3.25Å; C646-M650 PolarHBondContact O-N 3.49Å; M647-M650 PolarHBondContact O-N 2.99Å; M647-M650 HydrophobicContact SD-CE 3.8Å; E648-M650 VanDerWaalsContact C-N 3.31Å; E648-M650 PolarHBondContact O-N 3.44Å; M650-I690 HydrophobicContact CG-CD1 3.55Å; M650-I690 HydrophobicContact SD-CD1 4.41Å; M650-L705 HydrophobicContact CE-CD2 3.58Å; M650-R708 HydrophobicContact CB-CG 4.27Å; M650-R708 HydrophobicContact CE-CB 3.94Å; M650-R708 HydrophobicContact CE-CG 3.77Å; M650-R708 HydrophobicContact SD-CB 4.24Å; M650-R708 HydrophobicContact SD-CG 3.96Å; M650-R712 PolarHBondContact O-NE 3.49Å; M650-R712 PolarHBondContact O-NH1 2.79Å; M650-R712 PolarHBondContact O-NH2 3.13Å; M650-I714 HydrophobicContact CB-CD1 3.92Å; M650-I714 HydrophobicContact CG-CD1 3.6Å; M650-I714 HydrophobicContact SD-CD1 4.43Å; M650-L716 HydrophobicContact SD-CD2 4.45Å |
| 651 | E | 90.1 | Very high | 76.6 | Confident | 115 Ų | 115 | 64.7 Ų | 64.7 | 54% | 0.537 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -81.4 | -33.9 | 178.2 | -79.4 | 174.4 | -177.5 | 0 | 0 | 112.9 | M647 E648 A649 D653 R712 | M647-E651 WeakPolarHBondContact O-CG 3.48Å; M647-E651 PolarHBondContact O-N 2.8Å; E648-E651 WeakPolarHBondContact O-CB 3.45Å; E648-E651 PolarHBondContact O-N 3.07Å; E648-E651 VanDerWaalsContact O-N 3.09Å; A649-E651 VanDerWaalsContact C-N 3.25Å; A649-E651 PolarHBondContact O-N 3.17Å; E651-D653 PolarHBondContact O-N 3.11Å; E651-R712 VanDerWaalsContact CA-NH1 3.33Å; E651-R712 PolarHBondContact O-NH1 2.72Å; E651-R712 PolarHBondContact O-NH2 3.32Å |
| 652 | V | 87 | Confident | 73.8 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 13% | 0.133 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 116.3 | -172.7 | -175.4 | 0 | 0 | 0 | 0 | 112.8 | L621 M624 I655 Q686 | L621-V652 HydrophobicContact CD1-CG2 4.2Å; M624-V652 HydrophobicContact CB-CG1 4.38Å; M624-V652 HydrophobicContact SD-CB 3.67Å; M624-V652 HydrophobicContact SD-CG1 3.79Å; M624-V652 HydrophobicContact SD-CG2 3.64Å; V652-I655 HydrophobicContact CG1-CD1 4.31Å; V652-Q686 PolarHBondContact O-N 3.07Å |
| 653 | D | 85.3 | Confident | 70.9 | Confident | 70 Ų | 70 | 78 Ų | 78 | 37% | 0.374 | 40% | 0.4 | S | S | . | . | B | Isolated β-bridge | trans | -73.6 | 156.4 | 171 | -70.6 | -37.5 | 0 | 0 | 0 | 111.8 | E651 I655 R712 | E651-D653 PolarHBondContact O-N 3.11Å; D653-I655 PolarHBondContact O-N 2.71Å; D653-R712 IonicContact OD1-CZ 2.67Å; D653-R712 IonicContact OD1-NH2 3.68Å; D653-R712 PolarHBondContact OD1-NH2 3.14Å |
| 654 | C | 71.4 | Confident | 68 | Low | 19 Ų | 19 | 80.3 Ų | 80.3 | 13% | 0.128 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 120.6 | 179.7 | -164.6 | 0 | 0 | 0 | 0 | 111.4 | L656 L680 E684 | C654-L656 PolarHBondContact O-N 2.77Å; C654-L680 HydrophobicContact CB-CD2 4.11Å; C654-L680 WeakPolarHBondContact SG-CD2 3.29Å; C654-E684 VanDerWaalsContact CB-O 3.29Å; C654-E684 WeakPolarHBondContact CB-O 3.18Å; C654-E684 PolarHBondContact N-O 3.28Å |
| 655 | I | 66.9 | Low | 64.9 | Low | 38 Ų | 38 | 83.1 Ų | 83.1 | 20% | 0.195 | 45% | 0.447 | C | S | . | . | trans | -82.5 | 113.9 | -179.8 | -63.1 | 142.6 | 0 | 0 | 0 | 108.9 | H625 V652 D653 | H625-I655 HydrophobicContact CB-CD1 4.25Å; H625-I655 WeakPolarHBondContact CD2-CD1 3.36Å; V652-I655 HydrophobicContact CG1-CD1 4.31Å; D653-I655 PolarHBondContact O-N 2.71Å | ||
| 656 | L | 54.2 | Low | 61.8 | Low | 86 Ų | 86 | 90.5 Ų | 90.5 | 45% | 0.45 | 49% | 0.486 | S | S | . | . | trans | -70.5 | 130.9 | 169 | -66 | 171.9 | 0 | 0 | 0 | 108.9 | C654 S658 N659 | C654-L656 PolarHBondContact O-N 2.77Å; L656-S658 PolarHBondContact O-N 3.36Å; L656-N659 PolarHBondContact O-N 3.35Å | ||
| 657 | S | 50.2 | Low | 58.6 | Low | 120 Ų | 120 | 97.6 Ų | 97.6 | 84% | 0.839 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -9.2 | -174.1 | 58.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 658 | S | 41.7 | Very low | 55.5 | Low | 97 Ų | 97 | 104.3 Ų | 104.3 | 68% | 0.678 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -6.9 | -174.8 | 56.6 | 0 | 0 | 0 | 0 | 116.2 | L656 | L656-S658 PolarHBondContact O-N 3.36Š|
| 659 | N | 38.5 | Very low | 52.4 | Low | 136 Ų | 136 | 108.9 Ų | 108.9 | 73% | 0.727 | 58% | 0.576 | S | S | * | * | trans | -103.2 | 13.6 | -167.6 | -72.8 | -5.1 | 0 | 0 | 0 | 116.6 | L656 | L656-N659 PolarHBondContact O-N 3.35Š| ||
| 660 | Y | 34.4 | Very low | 49.4 | Very low | 166 Ų | 166 | 114.7 Ų | 114.7 | 65% | 0.651 | 62% | 0.617 | S | S | * | * | trans | -94.1 | 115 | -177.8 | -125.7 | -97.6 | 0 | 0 | 0 | 113.2 | H625 | H625-Y660 AromaticContact CD2-CE2 3.98Š| ||
| 661 | K | 32.7 | Very low | 46.3 | Very low | 194 Ų | 194 | 121.9 Ų | 121.9 | 84% | 0.843 | 66% | 0.655 | S | S | * | * | trans | -114.8 | 137.3 | 155.9 | -85.6 | -174.1 | 177.6 | 177.1 | 0 | 108.6 | N663 | K661-N663 PolarHBondContact O-N 2.84Š| ||
| 662 | E | 36.1 | Very low | 43.4 | Very low | 191 Ų | 191 | 122.9 Ų | 122.9 | 89% | 0.893 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | 8.2 | -171.2 | -84.2 | 178.2 | 145.1 | 0 | 0 | 118.4 | ||
| 663 | N | 35.2 | Very low | 40.8 | Very low | 145 Ų | 145 | 127 Ų | 127 | 78% | 0.775 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.6 | 18.2 | -168.5 | -76.2 | -18.8 | 0 | 0 | 0 | 117.2 | K661 I665 | K661-N663 PolarHBondContact O-N 2.84Å; N663-I665 PolarHBondContact O-N 3.36Å |
| 664 | G | 34.1 | Very low | 38.3 | Very low | 83 Ų | 83 | 130.2 Ų | 130.2 | 86% | 0.856 | 72% | 0.715 | S | S | * | * | trans | 67.5 | 28.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 665 | I | 31.8 | Very low | 36.3 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | trans | -119.4 | 115.7 | 173.7 | -57.1 | 173 | 0 | 0 | 0 | 108.9 | N663 | N663-I665 PolarHBondContact O-N 3.36Š| ||
| 666 | L | 31.3 | Very low | 34.6 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | trans | -75.9 | 124.5 | 168.6 | -81 | 156.5 | 0 | 0 | 0 | 108.8 | E668 | L666-E668 PolarHBondContact O-N 3.18Š| ||
| 667 | N | 30.3 | Very low | 33.8 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -77.8 | 115.5 | 168.2 | -94.9 | -3.6 | 0 | 0 | 0 | 109.1 | ||||
| 668 | E | 30 | Very low | 33.3 | Very low | 162 Ų | 162 | 147.1 Ų | 147.1 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | trans | -66.1 | 137.6 | 153.3 | -67 | 178.8 | 163.9 | 0 | 0 | 107.8 | L666 | L666-E668 PolarHBondContact O-N 3.18Š| ||
| 669 | H | 30.1 | Very low | 33.3 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | 87.9 | 95.1 | 177.2 | -44.5 | -60.1 | 0 | 0 | 0 | 117.5 | ||||
| 670 | S | 31.2 | Very low | 33.6 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -163.7 | 133.3 | 135.6 | 58.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 671 | D | 30.3 | Very low | 34.5 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -65.9 | 152.5 | -168.9 | -70 | -57.9 | 0 | 0 | 0 | 116.9 | S673 | D671-S673 PolarHBondContact O-N 3.5Š| ||
| 672 | T | 29.4 | Very low | 35.3 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -11 | 113.2 | 153.1 | 53.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 673 | S | 31.6 | Very low | 36.9 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -161 | 132.8 | 143.6 | 52.6 | 0 | 0 | 0 | 0 | 111.6 | D671 | D671-S673 PolarHBondContact O-N 3.5Š| ||
| 674 | I | 32.3 | Very low | 39 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 70% | 0.697 | 74% | 0.743 | S | S | * | * | trans | -77.7 | 114.9 | -176.8 | -63.8 | 162.6 | 0 | 0 | 0 | 108.2 | ||||
| 675 | N | 29.9 | Very low | 41.5 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | -89.9 | 101.1 | 163.5 | -92.7 | -22.8 | 0 | 0 | 0 | 109 | N677 | N675-N677 PolarHBondContact O-N 2.86Å; N675-N677 VanDerWaalsContact O-N 3.09Å | ||
| 676 | H | 30.7 | Very low | 44.4 | Very low | 156 Ų | 156 | 122.7 Ų | 122.7 | 72% | 0.722 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 98 | 168.1 | -73 | -74.7 | 0 | 0 | 0 | 109.1 | ||
| 677 | N | 38.1 | Very low | 47.3 | Very low | 166 Ų | 166 | 114.5 Ų | 114.5 | 89% | 0.888 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -179.4 | -5.6 | 148.9 | -88.7 | -21.4 | 0 | 0 | 0 | 115.2 | N675 | N675-N677 PolarHBondContact O-N 2.86Å; N675-N677 VanDerWaalsContact O-N 3.09Å |
| 678 | D | 39.9 | Very low | 50.3 | Low | 144 Ų | 144 | 109 Ų | 109 | 77% | 0.77 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -128.8 | 116.9 | 167.3 | -92.4 | -32 | 0 | 0 | 0 | 109 | L680 | D678-L680 PolarHBondContact O-N 2.82Š|
| 679 | G | 42.7 | Very low | 53.5 | Low | 85 Ų | 85 | 101.3 Ų | 101.3 | 88% | 0.876 | 56% | 0.558 | S | S | * | * | trans | -69.9 | 24.8 | -164.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 680 | L | 44.9 | Very low | 56.7 | Low | 64 Ų | 64 | 93 Ų | 93 | 34% | 0.335 | 52% | 0.519 | S | S | . | . | trans | -90.8 | 137 | -177.7 | -87 | 81.8 | 0 | 0 | 0 | 113.1 | C654 D678 | C654-L680 HydrophobicContact CB-CD2 4.11Å; C654-L680 WeakPolarHBondContact SG-CD2 3.29Å; D678-L680 PolarHBondContact O-N 2.82Å | ||
| 681 | R | 51.7 | Low | 59.9 | Low | 208 Ų | 208 | 87.2 Ų | 87.2 | 79% | 0.785 | 48% | 0.478 | S | S | * | . | trans | -92 | 140.9 | 176.6 | -63.9 | -179.7 | 179.8 | -178.9 | 1.4 | 110.8 | N683 E684 | R681-N683 PolarHBondContact O-N 3.11Å; R681-E684 HydrophobicContact CB-CB 4.41Å; R681-E684 PolarHBondContact N-OE2 3.2Å; R681-E684 VanDerWaalsContact O-CB 3.22Å; R681-E684 WeakPolarHBondContact O-CB 3.35Å; R681-E684 PolarHBondContact O-N 2.82Å; R681-E684 VanDerWaalsContact O-N 3.08Å | ||
| 682 | V | 50.6 | Low | 63.1 | Low | 112 Ų | 112 | 80 Ų | 80 | 68% | 0.679 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -9.8 | -171.2 | 179 | 0 | 0 | 0 | 0 | 115.2 | ||
| 683 | N | 68.2 | Low | 66.3 | Low | 133 Ų | 133 | 75.3 Ų | 75.3 | 71% | 0.711 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.7 | 20.5 | 178.7 | -62.3 | -18.7 | 0 | 0 | 0 | 112.7 | R681 | R681-N683 PolarHBondContact O-N 3.11Š|
| 684 | E | 80.9 | Confident | 69.2 | Low | 42 Ų | 42 | 70.7 Ų | 70.7 | 20% | 0.196 | 38% | 0.378 | C | S | . | . | trans | -85.5 | 131.5 | -177.2 | -171.9 | 173.7 | -164.2 | 0 | 0 | 110.5 | C654 R681 Q686 K688 | C654-E684 VanDerWaalsContact CB-O 3.29Å; C654-E684 WeakPolarHBondContact CB-O 3.18Å; C654-E684 PolarHBondContact N-O 3.28Å; R681-E684 HydrophobicContact CB-CB 4.41Å; R681-E684 PolarHBondContact N-OE2 3.2Å; R681-E684 VanDerWaalsContact O-CB 3.22Å; R681-E684 WeakPolarHBondContact O-CB 3.35Å; R681-E684 PolarHBondContact O-N 2.82Å; R681-E684 VanDerWaalsContact O-N 3.08Å; E684-Q686 PolarHBondContact O-N 3.32Å; E684-K688 VanDerWaalsContact CD-NZ 3.28Å; E684-K688 WeakPolarHBondContact OE1-CE 3.34Å; E684-K688 IonicContact OE1-NZ 3.68Å; E684-K688 PolarHBondContact OE1-NZ 2.75Å | ||
| 685 | A | 86.6 | Confident | 71.8 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.008 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -58.5 | 136.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I714 | A685-I714 HydrophobicContact CB-CD1 3.74Å; A685-I714 HydrophobicContact CB-CG1 4.13Å |
| 686 | Q | 91.1 | Very high | 74.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -60.6 | -50.2 | 177.3 | 179.7 | 171.6 | -20.3 | 0 | 0 | 110.5 | M624 H627 R631 V652 E684 | M624-Q686 PolarHBondContact O-NE2 2.84Å; M624-Q686 PolarHBondContact O-OE1 2.99Å; H627-Q686 PolarHBondContact O-NE2 3.19Å; R631-Q686 WeakPolarHBondContact CD-O 3.21Å; R631-Q686 PolarHBondContact NH1-O 3.37Å; V652-Q686 PolarHBondContact O-N 3.07Å; E684-Q686 PolarHBondContact O-N 3.32Å |
| 687 | I | 94 | Very high | 77.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -81.3 | 130.4 | 177.6 | -58.1 | -59.7 | 0 | 0 | 0 | 110 | M624 L633 C689 I690 I714 | M624-I687 HydrophobicContact CE-CD1 3.98Å; M624-I687 HydrophobicContact CE-CG1 3.44Å; M624-I687 VanDerWaalsContact CE-CG1 3.44Å; L633-I687 HydrophobicContact CB-CD1 4.38Å; L633-I687 HydrophobicContact CB-CG2 4.1Å; I687-C689 VanDerWaalsContact CG2-O 3.22Å; I687-C689 WeakPolarHBondContact CG2-O 3.47Å; I687-I690 HydrophobicContact CG2-CD1 4.43Å; I687-I690 HydrophobicContact CG2-CG1 3.66Å; I687-I714 WeakPolarHBondContact O-CD1 3.47Å; I687-I714 WeakPolarHBondContact O-CG1 3.49Å | ||
| 688 | K | 93 | Very high | 80.1 | Confident | 35 Ų | 35 | 45.9 Ų | 45.9 | 15% | 0.152 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -105.1 | -21.9 | 178.5 | -64.5 | -52.7 | -164.4 | 170.9 | 0 | 113.7 | R631 E684 L715 | R631-K688 HydrophobicContact CB-CG 4.47Å; R631-K688 PolarHBondContact O-N 3.37Å; E684-K688 VanDerWaalsContact CD-NZ 3.28Å; E684-K688 WeakPolarHBondContact OE1-CE 3.34Å; E684-K688 IonicContact OE1-NZ 3.68Å; E684-K688 PolarHBondContact OE1-NZ 2.75Å; K688-L715 PolarHBondContact O-N 2.63Å |
| 689 | C | 95.8 | Very high | 82.6 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 137.8 | 173.7 | 167.7 | 0 | 0 | 0 | 0 | 111.8 | L556 R631 I632 L633 I687 L715 | L556-C689 HydrophobicContact CD1-CB 3.57Å; R631-C689 PolarHBondContact O-N 3.2Å; I632-C689 WeakPolarHBondContact CA-O 3.43Å; I632-C689 HydrophobicContact CD1-CB 3.59Å; L633-C689 PolarHBondContact N-O 3.13Å; I687-C689 VanDerWaalsContact CG2-O 3.22Å; I687-C689 WeakPolarHBondContact CG2-O 3.47Å; C689-L715 CarbonylContact C-O 3.51Å; C689-L715 WeakPolarHBondContact CA-O 3.28Å; C689-L715 HydrophobicContact CB-CB 4.22Å |
| 690 | I | 98 | Very high | 85 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 121.7 | 174.8 | -54 | 175.9 | 0 | 0 | 0 | 108.1 | L633 N635 A649 M650 I687 I692 I714 L715 L716 I717 | L633-I690 HydrophobicContact CB-CG1 4.28Å; L633-I690 HydrophobicContact CB-CG2 4.35Å; L633-I690 HydrophobicContact CD2-CG2 4.27Å; L633-I690 HydrophobicContact CG-CG2 4.45Å; L633-I690 CarbonylContact O-C 3.59Å; L633-I690 WeakPolarHBondContact O-CA 3.34Å; N635-I690 HydrophobicContact CB-CG2 4.44Å; A649-I690 HydrophobicContact CB-CD1 4.11Å; M650-I690 HydrophobicContact CG-CD1 3.55Å; M650-I690 HydrophobicContact SD-CD1 4.41Å; I687-I690 HydrophobicContact CG2-CD1 4.43Å; I687-I690 HydrophobicContact CG2-CG1 3.66Å; I690-I692 HydrophobicContact CG2-CG1 4.01Å; I690-I714 HydrophobicContact CD1-CG2 4.22Å; I690-I714 HydrophobicContact CG1-CG2 4.04Å; I690-L715 PolarHBondContact N-O 2.9Å; I690-L716 HydrophobicContact CB-CD2 3.82Å; I690-L716 HydrophobicContact CD1-CD2 4.22Å; I690-L716 HydrophobicContact CG1-CD2 4.31Å; I690-L716 WeakPolarHBondContact O-CA 3.45Å; I690-I717 PolarHBondContact O-N 2.92Å |
| 691 | A | 98.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 115.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | L633 V634 N635 I717 I732 | L633-A691 PolarHBondContact O-N 3.04Å; V634-A691 HydrophobicContact CG1-CB 4.46Å; N635-A691 PolarHBondContact N-O 2.91Å; A691-I717 CarbonylContact C-O 3.48Å; A691-I717 WeakPolarHBondContact CA-O 3.45Å; A691-I732 HydrophobicContact CB-CD1 3.99Å; A691-I732 HydrophobicContact CB-CG1 4.45Å; A691-I732 HydrophobicContact CB-CG2 3.6Å |
| 692 | I | 98.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 101.2 | -175.4 | -50.6 | 175.8 | 0 | 0 | 0 | 108.8 | A642 I690 I697 L705 L716 I717 P719 T721 | A642-I692 HydrophobicContact CB-CG2 4.49Å; I690-I692 HydrophobicContact CG2-CG1 4.01Å; I692-I697 HydrophobicContact CG2-CD1 3.62Å; I692-L705 HydrophobicContact CD1-CD1 3.99Å; I692-L716 HydrophobicContact CD1-CD2 4.48Å; I692-I717 PolarHBondContact N-O 3.1Å; I692-P719 HydrophobicContact CB-CB 4.21Å; I692-P719 HydrophobicContact CB-CG 4.35Å; I692-P719 HydrophobicContact CD1-CG 4.23Å; I692-P719 HydrophobicContact CG2-CB 3.78Å; I692-P719 HydrophobicContact CG2-CG 4.03Å; I692-P719 WeakPolarHBondContact O-CA 3.36Å; I692-T721 WeakPolarHBondContact O-CG2 3.38Å |
| 693 | I | 95.6 | Very high | 91.6 | Very high | 37 Ų | 37 | 18.8 Ų | 18.8 | 19% | 0.19 | 10% | 0.096 | C | C | . | . | trans | -77.8 | -29.2 | -172.3 | -52.8 | -56 | 0 | 0 | 0 | 112 | V634 N635 F636 E695 T721 I732 | V634-I693 HydrophobicContact CG1-CD1 4.26Å; V634-I693 HydrophobicContact CG1-CG1 4.18Å; N635-I693 WeakPolarHBondContact O-CB 3.17Å; N635-I693 WeakPolarHBondContact O-CG1 3.22Å; N635-I693 PolarHBondContact O-N 3.18Å; F636-I693 HydrophobicContact CD1-CB 4.03Å; F636-I693 HydrophobicContact CD1-CG1 3.89Å; F636-I693 HydrophobicContact CD1-CG2 3.85Å; F636-I693 HydrophobicContact CD2-CG1 4.41Å; F636-I693 HydrophobicContact CE1-CB 4.37Å; F636-I693 HydrophobicContact CE1-CG1 3.95Å; F636-I693 HydrophobicContact CE1-CG2 3.95Å; F636-I693 HydrophobicContact CE2-CG1 4.47Å; F636-I693 HydrophobicContact CG-CB 4.48Å; F636-I693 HydrophobicContact CG-CG1 4.13Å; F636-I693 HydrophobicContact CZ-CG1 4.25Å; I693-E695 PolarHBondContact O-N 2.98Å; I693-T721 HydrophobicContact CD1-CG2 4.45Å; I693-I732 HydrophobicContact CD1-CG2 4.27Å | ||
| 694 | A | 92 | Very high | 92.9 | Very high | 12 Ų | 12 | 14 Ų | 14 | 10% | 0.099 | 7% | 0.068 | C | C | . | . | trans | -59.3 | 133 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113 | A637 A642 I697 P719 A720 | A637-A694 WeakPolarHBondContact O-CB 3.12Å; A642-A694 HydrophobicContact CB-CB 3.98Å; A694-I697 HydrophobicContact CB-CD1 4.36Å; A694-I697 HydrophobicContact CB-CG1 4.38Å; A694-P719 WeakPolarHBondContact O-CB 3.36Å; A694-A720 PolarHBondContact O-N 2.77Å | ||
| 695 | E | 87.1 | Confident | 93.7 | Very high | 84 Ų | 84 | 12 Ų | 12 | 39% | 0.393 | 6% | 0.058 | S | C | . | . | S | Bend | trans | -95.8 | 144.4 | 168 | -177.9 | 175.3 | 168.3 | 0 | 0 | 110.2 | L639 I693 A720 | L639-E695 WeakPolarHBondContact CB-O 3.19Å; L639-E695 WeakPolarHBondContact CD2-O 3.3Å; I693-E695 PolarHBondContact O-N 2.98Å; E695-A720 HydrophobicContact CB-CB 3.87Å; E695-A720 HydrophobicContact CG-CB 3.83Å |
| 696 | G | 86.7 | Confident | 94.1 | Very high | 3 Ų | 3 | 12 Ų | 12 | 3% | 0.031 | 6% | 0.059 | C | C | . | . | trans | 89 | 25.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | C266 | C266-G696 WeakPolarHBondContact CB-O 3.3Š| ||
| 697 | I | 92.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 13.3 Ų | 13.3 | 2% | 0.015 | 7% | 0.065 | C | C | . | . | trans | -71.8 | 133.1 | 166.8 | -59.2 | -176.3 | 0 | 0 | 0 | 108.1 | A642 I692 A694 E699 M701 T702 P719 | A642-I697 HydrophobicContact CB-CD1 3.61Å; A642-I697 HydrophobicContact CB-CG1 4.33Å; I692-I697 HydrophobicContact CG2-CD1 3.62Å; A694-I697 HydrophobicContact CB-CD1 4.36Å; A694-I697 HydrophobicContact CB-CG1 4.38Å; I697-E699 PolarHBondContact O-N 3.16Å; I697-M701 HydrophobicContact CG2-CB 4.07Å; I697-T702 WeakPolarHBondContact CG2-OG1 3.38Å; I697-P719 HydrophobicContact CB-CG 4.41Å; I697-P719 HydrophobicContact CD1-CB 3.87Å; I697-P719 HydrophobicContact CD1-CG 3.85Å; I697-P719 HydrophobicContact CG1-CB 4.3Å; I697-P719 HydrophobicContact CG1-CG 4.48Å | ||
| 698 | P | 93.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -54.2 | 136.9 | 177.5 | -28.5 | 36.4 | 0 | 0 | 0 | 113.3 | Y204 D264 C266 A267 L270 N700 M701 T702 | Y204-P698 HydrophobicContact CD1-CB 3.85Å; Y204-P698 HydrophobicContact CE1-CB 3.64Å; Y204-P698 HydrophobicContact CE1-CG 4.39Å; D264-P698 VanDerWaalsContact OD2-C 3.29Å; D264-P698 WeakPolarHBondContact OD2-CA 3.45Å; D264-P698 WeakPolarHBondContact OD2-CB 3.27Å; C266-P698 HydrophobicContact CB-CB 4.5Å; C266-P698 HydrophobicContact CB-CG 4.26Å; A267-P698 HydrophobicContact CB-CB 4.17Å; A267-P698 HydrophobicContact CB-CG 4.07Å; L270-P698 HydrophobicContact CD1-CG 4.37Å; P698-N700 PolarHBondContact O-N 3.35Å; P698-N700 VanDerWaalsContact O-N 3.16Å; P698-M701 HydrophobicContact CB-CB 4.33Å; P698-M701 HydrophobicContact CB-CG 4.26Å; P698-M701 HydrophobicContact CB-SD 4Å; P698-M701 HydrophobicContact CG-SD 3.68Å; P698-M701 WeakPolarHBondContact O-CB 3.31Å; P698-M701 PolarHBondContact O-N 3.13Å; P698-T702 PolarHBondContact O-N 2.96Å; P698-T702 PolarHBondContact O-OG1 3.32Å | ||
| 699 | E | 92.9 | Very high | 94.4 | Very high | 15 Ų | 15 | 14 Ų | 14 | 7% | 0.07 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -49.8 | -44.9 | -179.2 | -69.7 | -176.9 | -163.8 | 0 | 0 | 111 | T206 D264 I697 M701 T702 R703 R787 F788 | T206-E699 WeakPolarHBondContact CG2-OE2 3.46Å; D264-E699 PolarHBondContact OD2-N 3.16Å; I697-E699 PolarHBondContact O-N 3.16Å; E699-M701 PolarHBondContact O-N 3.29Å; E699-T702 PolarHBondContact O-N 3.15Å; E699-R703 WeakPolarHBondContact O-CG 3.45Å; E699-R703 PolarHBondContact O-N 3.04Å; E699-R787 VanDerWaalsContact CD-CD 3.49Å; E699-R787 HydrophobicContact CG-CB 4.37Å; E699-R787 WeakPolarHBondContact OE1-CD 3.2Å; E699-R787 IonicContact OE1-NH1 3.15Å; E699-R787 VanDerWaalsContact OE2-CD 3.29Å; E699-R787 WeakPolarHBondContact OE2-CD 3.23Å; E699-R787 IonicContact OE2-CZ 3.18Å; E699-R787 IonicContact OE2-NE 2.64Å; E699-R787 IonicContact OE2-NH1 2.73Å; E699-R787 PolarHBondContact OE2-NH1 3.12Å; E699-F788 HydrophobicContact CB-CD2 4.08Å; E699-F788 HydrophobicContact CB-CE2 4.03Å; E699-F788 HydrophobicContact CG-CD2 4.46Å; E699-F788 HydrophobicContact CG-CE2 4.4Å |
| 700 | N | 92.7 | Very high | 94.2 | Very high | 10 Ų | 10 | 18.6 Ų | 18.6 | 5% | 0.053 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.7 | -41.1 | -178.8 | -162.4 | 14.1 | 0 | 0 | 0 | 112.5 | D201 Y204 P698 R703 R704 | D201-N700 VanDerWaalsContact CG-ND2 3.32Å; D201-N700 PolarHBondContact OD1-ND2 3.13Å; D201-N700 PolarHBondContact OD1-OD1 2.88Å; D201-N700 PolarHBondContact OD2-ND2 2.98Å; Y204-N700 HydrophobicContact CD1-CB 3.73Å; Y204-N700 HydrophobicContact CE1-CB 3.73Å; P698-N700 PolarHBondContact O-N 3.35Å; P698-N700 VanDerWaalsContact O-N 3.16Å; N700-R703 PolarHBondContact O-N 3.1Å; N700-R703 PolarHBondContact OD1-NE 2.94Å; N700-R703 PolarHBondContact OD1-NH2 3.15Å; N700-R704 WeakPolarHBondContact O-CG 3.39Å; N700-R704 PolarHBondContact O-N 3.49Å; N700-R704 VanDerWaalsContact O-N 3.13Å |
| 701 | M | 95.1 | Very high | 93.9 | Very high | 15 Ų | 15 | 23 Ų | 23 | 7% | 0.074 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.9 | -42.6 | 176.6 | -72.6 | 170.6 | 80.4 | 0 | 0 | 110.7 | Y204 L270 Y643 I697 P698 E699 R703 R704 L705 | Y204-M701 HydrophobicContact CE1-CG 4.06Å; Y204-M701 HydrophobicContact CE1-SD 4.32Å; L270-M701 HydrophobicContact CD1-SD 3.98Å; Y643-M701 HydrophobicContact CD1-CE 3.45Å; Y643-M701 VanDerWaalsContact CD1-CE 3.45Å; Y643-M701 HydrophobicContact CD2-CB 3.58Å; Y643-M701 HydrophobicContact CD2-CE 3.93Å; Y643-M701 HydrophobicContact CD2-CG 4.12Å; Y643-M701 HydrophobicContact CE1-CE 4.19Å; Y643-M701 HydrophobicContact CE2-CB 3.92Å; Y643-M701 HydrophobicContact CE2-CG 4.25Å; Y643-M701 WeakPolarHBondContact CE2-O 3.38Å; Y643-M701 HydrophobicContact CG-CB 4.21Å; Y643-M701 HydrophobicContact CG-CE 3.29Å; Y643-M701 HydrophobicContact CG-CG 4.43Å; I697-M701 HydrophobicContact CG2-CB 4.07Å; P698-M701 HydrophobicContact CB-CB 4.33Å; P698-M701 HydrophobicContact CB-CG 4.26Å; P698-M701 HydrophobicContact CB-SD 4Å; P698-M701 HydrophobicContact CG-SD 3.68Å; P698-M701 WeakPolarHBondContact O-CB 3.31Å; P698-M701 PolarHBondContact O-N 3.13Å; E699-M701 PolarHBondContact O-N 3.29Å; M701-R703 VanDerWaalsContact C-N 3.33Å; M701-R703 PolarHBondContact O-N 2.61Å; M701-R704 WeakPolarHBondContact O-CB 3.38Å; M701-R704 PolarHBondContact O-N 3.43Å; M701-R704 VanDerWaalsContact O-N 3.15Å; M701-L705 WeakPolarHBondContact O-CG 3.46Å; M701-L705 PolarHBondContact O-N 3.41Å |
| 702 | T | 96.2 | Very high | 93.5 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.012 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.1 | -38.2 | 175.6 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | I697 P698 E699 R704 L705 I706 P719 F788 | I697-T702 WeakPolarHBondContact CG2-OG1 3.38Å; P698-T702 PolarHBondContact O-N 2.96Å; P698-T702 PolarHBondContact O-OG1 3.32Å; E699-T702 PolarHBondContact O-N 3.15Å; T702-R704 PolarHBondContact O-N 3.48Å; T702-L705 WeakPolarHBondContact O-CB 3.47Å; T702-L705 PolarHBondContact O-N 3.1Å; T702-I706 HydrophobicContact CG2-CD1 4.23Å; T702-I706 WeakPolarHBondContact O-CG1 3.25Å; T702-I706 PolarHBondContact O-N 3.46Å; T702-P719 HydrophobicContact CG2-CG 3.87Å; T702-F788 WeakPolarHBondContact CG2-O 3.41Å |
| 703 | R | 95.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 1% | 0.011 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 173.3 | -67.2 | -175.4 | -47.6 | 173.1 | 5.2 | 112.7 | T121 Q122 S125 N126 V152 D201 E699 N700 M701 L705 I706 Q707 F788 | T121-R703 VanDerWaalsContact CB-NH1 3.35Å; Q122-R703 WeakPolarHBondContact O-CD 3.28Å; Q122-R703 PolarHBondContact O-NH1 3.29Å; Q122-R703 VanDerWaalsContact O-NH1 3.09Å; S125-R703 PolarHBondContact O-NH1 2.85Å; N126-R703 VanDerWaalsContact OD1-CZ 3.26Å; N126-R703 PolarHBondContact OD1-NH1 3.4Å; N126-R703 PolarHBondContact OD1-NH2 2.96Å; V152-R703 HydrophobicContact CG1-CB 4.39Å; V152-R703 HydrophobicContact CG2-CB 4.04Å; D201-R703 IonicContact OD1-NH2 3.77Å; E699-R703 WeakPolarHBondContact O-CG 3.45Å; E699-R703 PolarHBondContact O-N 3.04Å; N700-R703 PolarHBondContact O-N 3.1Å; N700-R703 PolarHBondContact OD1-NE 2.94Å; N700-R703 PolarHBondContact OD1-NH2 3.15Å; M701-R703 VanDerWaalsContact C-N 3.33Å; M701-R703 PolarHBondContact O-N 2.61Å; R703-L705 VanDerWaalsContact C-N 3.33Å; R703-I706 PolarHBondContact O-N 2.95Å; R703-Q707 PolarHBondContact O-N 3.32Å; R703-F788 HydrophobicContact CG-CD2 3.7Å; R703-F788 HydrophobicContact CG-CE2 4.09Å; R703-F788 HydrophobicContact CG-CG 4.24Å |
| 704 | R | 95.4 | Very high | 93 | Very high | 31 Ų | 31 | 26.8 Ų | 26.8 | 12% | 0.117 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.7 | -39 | 175.3 | -66.7 | 176.4 | -177.8 | -145.5 | 0.4 | 111 | V152 M156 D159 D201 Y643 M647 N700 M701 T702 Q707 R708 | V152-R704 HydrophobicContact CG1-CG 4.29Å; M156-R704 HydrophobicContact CE-CB 4.44Å; M156-R704 HydrophobicContact CG-CB 4.37Å; M156-R704 HydrophobicContact CG-CG 3.92Å; M156-R704 HydrophobicContact SD-CB 3.89Å; M156-R704 HydrophobicContact SD-CG 4.07Å; D159-R704 IonicContact OD2-NH1 3.79Å; D159-R704 PolarHBondContact OD2-NH1 2.85Å; D201-R704 IonicContact OD2-NH2 2.89Å; D201-R704 PolarHBondContact OD2-NH2 2.65Å; Y643-R704 HydrophobicContact CE2-CB 4.08Å; M647-R704 HydrophobicContact CE-CB 4.01Å; N700-R704 WeakPolarHBondContact O-CG 3.39Å; N700-R704 PolarHBondContact O-N 3.49Å; N700-R704 VanDerWaalsContact O-N 3.13Å; M701-R704 WeakPolarHBondContact O-CB 3.38Å; M701-R704 PolarHBondContact O-N 3.43Å; M701-R704 VanDerWaalsContact O-N 3.15Å; T702-R704 PolarHBondContact O-N 3.48Å; R704-Q707 PolarHBondContact O-N 2.98Å; R704-R708 WeakPolarHBondContact O-CB 3.4Å; R704-R708 PolarHBondContact O-N 2.84Å |
| 705 | L | 96.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.8 | -46.8 | 171.7 | -66.7 | 175.5 | 0 | 0 | 0 | 112 | Y643 C646 M647 M650 I692 M701 T702 R703 Q707 R708 S709 L716 | Y643-L705 HydrophobicContact CD2-CD1 4.11Å; Y643-L705 HydrophobicContact CD2-CD2 3.78Å; Y643-L705 HydrophobicContact CD2-CG 3.7Å; Y643-L705 HydrophobicContact CE2-CD2 4.12Å; Y643-L705 HydrophobicContact CE2-CG 4.1Å; C646-L705 HydrophobicContact CB-CD1 4.31Å; C646-L705 HydrophobicContact CB-CD2 3.56Å; M647-L705 HydrophobicContact CE-CD2 3.96Å; M647-L705 HydrophobicContact CG-CD2 3.97Å; M647-L705 HydrophobicContact SD-CD2 3.99Å; M650-L705 HydrophobicContact CE-CD2 3.58Å; I692-L705 HydrophobicContact CD1-CD1 3.99Å; M701-L705 WeakPolarHBondContact O-CG 3.46Å; M701-L705 PolarHBondContact O-N 3.41Å; T702-L705 WeakPolarHBondContact O-CB 3.47Å; T702-L705 PolarHBondContact O-N 3.1Å; R703-L705 VanDerWaalsContact C-N 3.33Å; L705-Q707 VanDerWaalsContact C-N 3.33Å; L705-Q707 PolarHBondContact O-N 3.44Å; L705-R708 PolarHBondContact O-N 3.18Å; L705-S709 VanDerWaalsContact O-CB 3.31Å; L705-S709 WeakPolarHBondContact O-CB 3.45Å; L705-S709 PolarHBondContact O-N 3.28Å; L705-L716 HydrophobicContact CB-CD1 3.9Å |
| 706 | I | 96.5 | Very high | 93.6 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 2% | 0.015 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 177.9 | -68.7 | 160.5 | 0 | 0 | 0 | 111.2 | T702 R703 S709 R710 F788 | T702-I706 HydrophobicContact CG2-CD1 4.23Å; T702-I706 WeakPolarHBondContact O-CG1 3.25Å; T702-I706 PolarHBondContact O-N 3.46Å; R703-I706 PolarHBondContact O-N 2.95Å; I706-S709 PolarHBondContact O-N 3.38Å; I706-S709 PolarHBondContact O-OG 3.01Å; I706-R710 WeakPolarHBondContact O-CG 3.43Å; I706-R710 PolarHBondContact O-N 3.24Å; I706-R710 VanDerWaalsContact O-N 3.11Å; I706-F788 HydrophobicContact CD1-CB 4.01Å |
| 707 | Q | 95.3 | Very high | 94.2 | Very high | 26 Ų | 26 | 22.4 Ų | 22.4 | 12% | 0.121 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.8 | -50.2 | 177.3 | 176.5 | 58.2 | 35 | 0 | 0 | 110.9 | V152 E153 M156 R703 R704 L705 S709 R710 E711 | V152-Q707 HydrophobicContact CB-CB 4.38Å; V152-Q707 HydrophobicContact CG1-CB 3.75Å; V152-Q707 HydrophobicContact CG1-CG 4.2Å; E153-Q707 HydrophobicContact CB-CG 4.35Å; M156-Q707 HydrophobicContact SD-CB 3.77Å; M156-Q707 HydrophobicContact SD-CG 3.65Å; R703-Q707 PolarHBondContact O-N 3.32Å; R704-Q707 PolarHBondContact O-N 2.98Å; L705-Q707 VanDerWaalsContact C-N 3.33Å; L705-Q707 PolarHBondContact O-N 3.44Å; Q707-S709 VanDerWaalsContact C-N 3.32Å; Q707-S709 PolarHBondContact O-N 3.41Å; Q707-R710 PolarHBondContact O-N 2.95Å; Q707-E711 PolarHBondContact NE2-OE1 3.47Å; Q707-E711 WeakPolarHBondContact O-CG 3.27Å; Q707-E711 PolarHBondContact O-N 3.28Å |
| 708 | R | 94 | Very high | 94.3 | Very high | 46 Ų | 46 | 22.2 Ų | 22.2 | 17% | 0.174 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 178.4 | -174.3 | 63 | 171.7 | 128.4 | 1.2 | 112.7 | M156 M647 M650 R704 L705 R710 E711 R712 | M156-R708 HydrophobicContact CE-CB 4.4Å; M647-R708 HydrophobicContact CE-CB 4.2Å; M647-R708 HydrophobicContact SD-CB 4.01Å; M647-R708 HydrophobicContact SD-CG 3.82Å; M650-R708 HydrophobicContact CB-CG 4.27Å; M650-R708 HydrophobicContact CE-CB 3.94Å; M650-R708 HydrophobicContact CE-CG 3.77Å; M650-R708 HydrophobicContact SD-CB 4.24Å; M650-R708 HydrophobicContact SD-CG 3.96Å; R704-R708 WeakPolarHBondContact O-CB 3.4Å; R704-R708 PolarHBondContact O-N 2.84Å; L705-R708 PolarHBondContact O-N 3.18Å; R708-R710 VanDerWaalsContact C-N 3.34Å; R708-E711 IonicContact NH1-OE2 2.72Å; R708-E711 PolarHBondContact O-N 3.36Å; R708-R712 VanDerWaalsContact NH1-CD 3.35Å; R708-R712 VanDerWaalsContact NH1-CG 3.28Å; R708-R712 PolarHBondContact O-N 3.28Å; R708-R712 VanDerWaalsContact O-N 3.12Å |
| 709 | S | 94.5 | Very high | 94.4 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.7 | -35.3 | -178.9 | 86.7 | 0 | 0 | 0 | 0 | 111.7 | L705 I706 Q707 R712 N713 I714 | L705-S709 VanDerWaalsContact O-CB 3.31Å; L705-S709 WeakPolarHBondContact O-CB 3.45Å; L705-S709 PolarHBondContact O-N 3.28Å; I706-S709 PolarHBondContact O-N 3.38Å; I706-S709 PolarHBondContact O-OG 3.01Å; Q707-S709 VanDerWaalsContact C-N 3.32Å; Q707-S709 PolarHBondContact O-N 3.41Å; S709-R712 CarbonylContact O-C 3.55Å; S709-R712 PolarHBondContact O-N 2.83Å; S709-N713 WeakPolarHBondContact O-CA 3.35Å; S709-N713 PolarHBondContact O-N 3.26Å; S709-I714 VanDerWaalsContact CB-O 3.23Å; S709-I714 WeakPolarHBondContact CB-O 3.43Å; S709-I714 PolarHBondContact O-N 3.48Å; S709-I714 PolarHBondContact OG-O 3.17Å |
| 710 | R | 91.5 | Very high | 94.4 | Very high | 98 Ų | 98 | 22.4 Ų | 22.4 | 37% | 0.37 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -63.9 | -43.7 | 172.3 | -73.8 | 170.7 | 174.8 | -178.6 | -4.7 | 112 | I706 Q707 R708 R712 N713 | I706-R710 WeakPolarHBondContact O-CG 3.43Å; I706-R710 PolarHBondContact O-N 3.24Å; I706-R710 VanDerWaalsContact O-N 3.11Å; Q707-R710 PolarHBondContact O-N 2.95Å; R708-R710 VanDerWaalsContact C-N 3.34Å; R710-R712 VanDerWaalsContact C-N 3.26Å; R710-R712 PolarHBondContact O-N 3.44Å; R710-N713 PolarHBondContact O-N 3.11Å |
| 711 | E | 90.5 | Very high | 94.5 | Very high | 93 Ų | 93 | 22.3 Ų | 22.3 | 44% | 0.435 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -61.1 | -35.2 | 177.1 | -68.6 | 165.2 | -170.7 | 0 | 0 | 112.6 | Q707 R708 | Q707-E711 PolarHBondContact NE2-OE1 3.47Å; Q707-E711 WeakPolarHBondContact O-CG 3.27Å; Q707-E711 PolarHBondContact O-N 3.28Å; R708-E711 IonicContact NH1-OE2 2.72Å; R708-E711 PolarHBondContact O-N 3.36Å |
| 712 | R | 90.5 | Very high | 94.4 | Very high | 40 Ų | 40 | 22.1 Ų | 22.1 | 15% | 0.151 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -96.3 | 0.5 | -179.5 | -63.7 | -63.6 | -69.8 | -94.5 | 7.7 | 114.3 | M650 E651 D653 R708 S709 R710 I714 | M650-R712 PolarHBondContact O-NE 3.49Å; M650-R712 PolarHBondContact O-NH1 2.79Å; M650-R712 PolarHBondContact O-NH2 3.13Å; E651-R712 VanDerWaalsContact CA-NH1 3.33Å; E651-R712 PolarHBondContact O-NH1 2.72Å; E651-R712 PolarHBondContact O-NH2 3.32Å; D653-R712 IonicContact OD1-CZ 2.67Å; D653-R712 IonicContact OD1-NH2 3.68Å; D653-R712 PolarHBondContact OD1-NH2 3.14Å; R708-R712 VanDerWaalsContact NH1-CD 3.35Å; R708-R712 VanDerWaalsContact NH1-CG 3.28Å; R708-R712 PolarHBondContact O-N 3.28Å; R708-R712 VanDerWaalsContact O-N 3.12Å; S709-R712 CarbonylContact O-C 3.55Å; S709-R712 PolarHBondContact O-N 2.83Å; R710-R712 VanDerWaalsContact C-N 3.26Å; R710-R712 PolarHBondContact O-N 3.44Å; R712-I714 HydrophobicContact CB-CD1 3.63Å; R712-I714 HydrophobicContact CB-CG1 3.84Å |
| 713 | N | 90.3 | Very high | 94.4 | Very high | 75 Ų | 75 | 22 Ų | 22 | 40% | 0.401 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 52.5 | -174.2 | -168.2 | 30.9 | 0 | 0 | 0 | 112.8 | S709 R710 | S709-N713 WeakPolarHBondContact O-CA 3.35Å; S709-N713 PolarHBondContact O-N 3.26Å; R710-N713 PolarHBondContact O-N 3.11Å |
| 714 | I | 93.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -115.3 | 128.1 | -179.6 | -60.3 | 176.1 | 0 | 0 | 0 | 108.7 | M650 A685 I687 I690 S709 R712 L716 | M650-I714 HydrophobicContact CB-CD1 3.92Å; M650-I714 HydrophobicContact CG-CD1 3.6Å; M650-I714 HydrophobicContact SD-CD1 4.43Å; A685-I714 HydrophobicContact CB-CD1 3.74Å; A685-I714 HydrophobicContact CB-CG1 4.13Å; I687-I714 WeakPolarHBondContact O-CD1 3.47Å; I687-I714 WeakPolarHBondContact O-CG1 3.49Å; I690-I714 HydrophobicContact CD1-CG2 4.22Å; I690-I714 HydrophobicContact CG1-CG2 4.04Å; S709-I714 VanDerWaalsContact CB-O 3.23Å; S709-I714 WeakPolarHBondContact CB-O 3.43Å; S709-I714 PolarHBondContact O-N 3.48Å; S709-I714 PolarHBondContact OG-O 3.17Å; R712-I714 HydrophobicContact CB-CD1 3.63Å; R712-I714 HydrophobicContact CB-CG1 3.84Å; I714-L716 HydrophobicContact CG2-CD2 4.37Å | ||
| 715 | L | 94.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 20.5 Ų | 20.5 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 129.7 | 174.4 | -172.2 | 74.3 | 0 | 0 | 0 | 110.2 | Y552 L556 K688 C689 I690 I717 | Y552-L715 HydrophobicContact CD2-CD1 4.26Å; Y552-L715 HydrophobicContact CE1-CB 4.1Å; Y552-L715 HydrophobicContact CE1-CD1 4.41Å; Y552-L715 HydrophobicContact CE2-CD1 3.69Å; L556-L715 HydrophobicContact CD1-CB 4.46Å; L556-L715 HydrophobicContact CD1-CD2 3.58Å; L556-L715 HydrophobicContact CD2-CD2 3.48Å; L556-L715 VanDerWaalsContact CD2-CD2 3.48Å; L556-L715 HydrophobicContact CG-CD2 4.15Å; K688-L715 PolarHBondContact O-N 2.63Å; C689-L715 CarbonylContact C-O 3.51Å; C689-L715 WeakPolarHBondContact CA-O 3.28Å; C689-L715 HydrophobicContact CB-CB 4.22Å; I690-L715 PolarHBondContact N-O 2.9Å; L715-I717 HydrophobicContact CD2-CG1 4.34Å |
| 716 | L | 97.4 | Very high | 94.6 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121.4 | 173.4 | -61.6 | -176.3 | 0 | 0 | 0 | 109.6 | M650 I690 I692 L705 I714 G790 S791 | M650-L716 HydrophobicContact SD-CD2 4.45Å; I690-L716 HydrophobicContact CB-CD2 3.82Å; I690-L716 HydrophobicContact CD1-CD2 4.22Å; I690-L716 HydrophobicContact CG1-CD2 4.31Å; I690-L716 WeakPolarHBondContact O-CA 3.45Å; I692-L716 HydrophobicContact CD1-CD2 4.48Å; L705-L716 HydrophobicContact CB-CD1 3.9Å; I714-L716 HydrophobicContact CG2-CD2 4.37Å; L716-G790 CarbonylContact O-C 3.59Å; L716-S791 VanDerWaalsContact O-CB 3.29Å; L716-S791 WeakPolarHBondContact O-CB 3.5Å; L716-S791 PolarHBondContact O-N 2.83Å; L716-S791 PolarHBondContact O-OG 3.27Å |
| 717 | I | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 122.5 | 169.6 | -62.2 | 175.7 | 0 | 0 | 0 | 107.7 | L556 F557 I690 A691 I692 L715 T721 I732 V781 A782 | L556-I717 HydrophobicContact CD2-CD1 4.11Å; F557-I717 HydrophobicContact CZ-CD1 3.93Å; I690-I717 PolarHBondContact O-N 2.92Å; A691-I717 CarbonylContact C-O 3.48Å; A691-I717 WeakPolarHBondContact CA-O 3.45Å; I692-I717 PolarHBondContact N-O 3.1Å; L715-I717 HydrophobicContact CD2-CG1 4.34Å; I717-T721 HydrophobicContact CG2-CG2 4.07Å; I717-I732 HydrophobicContact CD1-CD1 3.78Å; I717-V781 HydrophobicContact CD1-CG1 4.34Å; I717-V781 HydrophobicContact CG1-CG1 4.48Å; I717-V781 HydrophobicContact CG2-CG1 4.05Å; I717-A782 WeakPolarHBondContact CG2-O 3.42Å |
| 718 | G | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | 93.7 | -170.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T721 I783 G790 | G718-T721 VanDerWaalsContact CA-CG2 3.48Å; G718-I783 VanDerWaalsContact CA-O 3.28Å; G718-I783 WeakPolarHBondContact CA-O 3.41Å; G718-I783 PolarHBondContact N-O 3.21Å; G718-G790 VanDerWaalsContact O-CA 3.3Å; G718-G790 WeakPolarHBondContact O-CA 3.43Å; G718-G790 PolarHBondContact O-N 2.8Å | ||
| 719 | P | 95.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | S | Bend | cis | -71.9 | -178.3 | 12.6 | -14.3 | 29.5 | 0 | 0 | 0 | 114.9 | I692 A694 I697 T702 T721 G784 D786 | I692-P719 HydrophobicContact CB-CB 4.21Å; I692-P719 HydrophobicContact CB-CG 4.35Å; I692-P719 HydrophobicContact CD1-CG 4.23Å; I692-P719 HydrophobicContact CG2-CB 3.78Å; I692-P719 HydrophobicContact CG2-CG 4.03Å; I692-P719 WeakPolarHBondContact O-CA 3.36Å; A694-P719 WeakPolarHBondContact O-CB 3.36Å; I697-P719 HydrophobicContact CB-CG 4.41Å; I697-P719 HydrophobicContact CD1-CB 3.87Å; I697-P719 HydrophobicContact CD1-CG 3.85Å; I697-P719 HydrophobicContact CG1-CB 4.3Å; I697-P719 HydrophobicContact CG1-CG 4.48Å; T702-P719 HydrophobicContact CG2-CG 3.87Å; P719-T721 PolarHBondContact O-N 2.67Å; P719-G784 WeakPolarHBondContact O-CA 3.43Å; P719-D786 WeakPolarHBondContact CB-OD2 3.45Å |
| 720 | A | 92.4 | Very high | 94.8 | Very high | 17 Ų | 17 | 18.8 Ų | 18.8 | 14% | 0.14 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 56 | 47 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A694 E695 G784 G785 D786 | A694-A720 PolarHBondContact O-N 2.77Å; E695-A720 HydrophobicContact CB-CB 3.87Å; E695-A720 HydrophobicContact CG-CB 3.83Å; A720-G784 VanDerWaalsContact O-CA 3.23Å; A720-G784 WeakPolarHBondContact O-CA 3.31Å; A720-G785 PolarHBondContact O-N 3.43Å; A720-D786 VanDerWaalsContact CB-OD1 3.32Å; A720-D786 WeakPolarHBondContact CB-OD1 3.34Å |
| 721 | T | 94.8 | Very high | 95.1 | Very high | 9 Ų | 9 | 14.1 Ų | 14.1 | 6% | 0.055 | 8% | 0.076 | C | C | . | . | trans | -127.6 | 154.3 | -177.9 | -171.1 | 0 | 0 | 0 | 0 | 112.4 | I692 I693 I717 G718 P719 G723 A782 | I692-T721 WeakPolarHBondContact O-CG2 3.38Å; I693-T721 HydrophobicContact CD1-CG2 4.45Å; I717-T721 HydrophobicContact CG2-CG2 4.07Å; G718-T721 VanDerWaalsContact CA-CG2 3.48Å; P719-T721 PolarHBondContact O-N 2.67Å; T721-G723 VanDerWaalsContact C-N 3.3Å; T721-G723 PolarHBondContact OG1-N 2.93Å; T721-A782 WeakPolarHBondContact OG1-CB 3.42Å; T721-A782 PolarHBondContact OG1-O 3.25Å | ||
| 722 | V | 93.7 | Very high | 95.4 | Very high | 11 Ų | 11 | 9.7 Ų | 9.7 | 7% | 0.067 | 6% | 0.055 | C | C | . | . | trans | -78.9 | -20.6 | 162.4 | 72.3 | 0 | 0 | 0 | 0 | 111.9 | N406 F407 N734 T735 A782 | N406-V722 HydrophobicContact CB-CG2 3.75Å; F407-V722 HydrophobicContact CD1-CG2 4.37Å; F407-V722 HydrophobicContact CE1-CG2 4.43Å; V722-N734 HydrophobicContact CG2-CB 4.37Å; V722-T735 HydrophobicContact CG1-CG2 4.22Å; V722-T735 PolarHBondContact O-OG1 3.42Å; V722-A782 HydrophobicContact CG1-CB 4.16Å | ||
| 723 | G | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 5% | 0.048 | C | C | . | . | trans | 113.3 | -118.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T721 A782 | T721-G723 VanDerWaalsContact C-N 3.3Å; T721-G723 PolarHBondContact OG1-N 2.93Å; G723-A782 PolarHBondContact O-N 3.2Å | ||
| 724 | G | 96.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 5.7 Ų | 5.7 | 1% | 0.01 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.2 | 171 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I732 T735 G780 | G724-I732 PolarHBondContact O-N 2.85Å; G724-T735 PolarHBondContact N-OG1 2.82Å; G724-T735 VanDerWaalsContact N-OG1 3.16Å; G724-G780 CarbonylContact C-O 3.47Å; G724-G780 WeakPolarHBondContact CA-O 3.47Å |
| 725 | L | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 151.5 | 174.9 | 71.4 | 87.9 | 0 | 0 | 0 | 110.9 | S727 F730 K731 T735 L747 V777 E779 G780 | L725-S727 WeakPolarHBondContact CD1-OG 3.32Å; L725-F730 CarbonylContact C-O 3.6Å; L725-F730 WeakPolarHBondContact CA-O 3.27Å; L725-K731 HydrophobicContact CB-CB 3.8Å; L725-T735 HydrophobicContact CB-CG2 4.32Å; L725-T735 HydrophobicContact CD2-CG2 4.02Å; L725-T735 HydrophobicContact CG-CG2 4.45Å; L725-L747 HydrophobicContact CD1-CD2 4.1Å; L725-L747 HydrophobicContact CD2-CD1 3.84Å; L725-L747 HydrophobicContact CD2-CD2 4.23Å; L725-L747 HydrophobicContact CD2-CG 4.46Å; L725-V777 HydrophobicContact CD1-CG1 4.41Å; L725-E779 CarbonylContact O-C 3.47Å; L725-E779 WeakPolarHBondContact O-CA 3.42Å; L725-G780 PolarHBondContact N-O 2.89Å; L725-G780 PolarHBondContact O-N 2.75Å |
| 726 | K | 97.4 | Very high | 96 | Very high | 15 Ų | 15 | 5.5 Ų | 5.5 | 7% | 0.065 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 113.1 | 162.8 | -177.9 | 177.3 | 179 | 169.3 | 0 | 107.7 | F557 G728 C729 F730 Y778 E779 | F557-K726 HydrophobicContact CB-CB 3.93Å; F557-K726 HydrophobicContact CB-CD 3.91Å; F557-K726 HydrophobicContact CD2-CB 4.07Å; F557-K726 HydrophobicContact CG-CB 4.47Å; F557-K726 WeakPolarHBondContact O-CD 3.38Å; F557-K726 WeakPolarHBondContact O-CE 3.4Å; F557-K726 PolarHBondContact O-NZ 3Å; K726-G728 PolarHBondContact O-N 3.49Å; K726-C729 HydrophobicContact CB-CB 4.01Å; K726-C729 HydrophobicContact CD-CB 3.86Å; K726-C729 HydrophobicContact CG-CB 3.81Å; K726-C729 WeakPolarHBondContact O-CA 3.38Å; K726-C729 WeakPolarHBondContact O-CB 3.37Å; K726-C729 PolarHBondContact O-N 3.16Å; K726-F730 PolarHBondContact N-O 3.13Å; K726-F730 PolarHBondContact O-N 3.42Å; K726-Y778 WeakPolarHBondContact CA-O 3.4Å; K726-Y778 HydrophobicContact CD-CE1 4.45Å; K726-Y778 WeakPolarHBondContact CE-OH 3.43Å; K726-Y778 PolarHBondContact NZ-OH 3.05Å; K726-E779 HydrophobicContact CB-CB 4.43Å; K726-E779 HydrophobicContact CB-CG 4.21Å; K726-E779 HydrophobicContact CG-CB 4.35Å |
| 727 | S | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 134.3 | -172 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | L725 C729 L747 R749 V777 Y778 | L725-S727 WeakPolarHBondContact CD1-OG 3.32Å; S727-C729 PolarHBondContact O-N 3.47Å; S727-L747 WeakPolarHBondContact CA-O 3.38Å; S727-L747 WeakPolarHBondContact CB-O 3.33Å; S727-R749 VanDerWaalsContact CB-O 3.24Å; S727-R749 WeakPolarHBondContact CB-O 3.42Å; S727-V777 WeakPolarHBondContact CB-O 3.3Å; S727-V777 PolarHBondContact OG-O 2.96Å; S727-Y778 PolarHBondContact N-O 3.34Å |
| 728 | G | 94.7 | Very high | 95.4 | Very high | 11 Ų | 11 | 8 Ų | 8 | 11% | 0.113 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | -5.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | K726 L747 Y748 | K726-G728 PolarHBondContact O-N 3.49Å; G728-L747 PolarHBondContact N-O 2.85Å; G728-Y748 VanDerWaalsContact CA-O 3.3Å; G728-Y748 WeakPolarHBondContact CA-O 3.45Å |
| 729 | C | 96 | Very high | 95.1 | Very high | 16 Ų | 16 | 9.4 Ų | 9.4 | 11% | 0.108 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -63.7 | -173.3 | -66.1 | 0 | 0 | 0 | 0 | 113.3 | R585 K726 S727 | R585-C729 WeakPolarHBondContact CD-O 3.38Å; R585-C729 PolarHBondContact NH1-O 3.2Å; K726-C729 HydrophobicContact CB-CB 4.01Å; K726-C729 HydrophobicContact CD-CB 3.86Å; K726-C729 HydrophobicContact CG-CB 3.81Å; K726-C729 WeakPolarHBondContact O-CA 3.38Å; K726-C729 WeakPolarHBondContact O-CB 3.37Å; K726-C729 PolarHBondContact O-N 3.16Å; S727-C729 PolarHBondContact O-N 3.47Å |
| 730 | F | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 145.5 | -172.1 | 179.7 | -104.3 | 0 | 0 | 0 | 110 | F557 T561 C563 M576 I632 L725 K726 I732 | F557-F730 HydrophobicContact CB-CB 4.03Å; F557-F730 HydrophobicContact CB-CD1 4.5Å; F557-F730 HydrophobicContact CD1-CB 4.47Å; F557-F730 AromaticContact CD1-CD1 3.41Å; F557-F730 HydrophobicContact CD1-CD1 3.41Å; F557-F730 VanDerWaalsContact CD1-CD1 3.41Å; F557-F730 AromaticContact CD1-CE1 3.96Å; F557-F730 HydrophobicContact CD1-CE1 3.96Å; F557-F730 HydrophobicContact CD1-CG 4.21Å; F557-F730 AromaticContact CE1-CD1 3.68Å; F557-F730 HydrophobicContact CE1-CD1 3.68Å; F557-F730 AromaticContact CE1-CE1 3.8Å; F557-F730 HydrophobicContact CE1-CE1 3.8Å; F557-F730 HydrophobicContact CG-CB 4.32Å; F557-F730 AromaticContact CG-CD1 3.9Å; F557-F730 HydrophobicContact CG-CD1 3.9Å; F557-F730 HydrophobicContact CZ-CD1 4.35Å; T561-F730 HydrophobicContact CG2-CD1 4.5Å; T561-F730 HydrophobicContact CG2-CD2 4.02Å; T561-F730 HydrophobicContact CG2-CE2 4.24Å; T561-F730 HydrophobicContact CG2-CG 4.17Å; C563-F730 HydrophobicContact CB-CE2 4.09Å; C563-F730 HydrophobicContact CB-CZ 3.93Å; M576-F730 HydrophobicContact CE-CE2 3.77Å; M576-F730 HydrophobicContact CE-CZ 3.95Å; I632-F730 HydrophobicContact CG2-CE1 4.35Å; I632-F730 HydrophobicContact CG2-CZ 4.23Å; L725-F730 CarbonylContact C-O 3.6Å; L725-F730 WeakPolarHBondContact CA-O 3.27Å; K726-F730 PolarHBondContact N-O 3.13Å; K726-F730 PolarHBondContact O-N 3.42Å; F730-I732 HydrophobicContact CD1-CG1 4.31Å; F730-I732 HydrophobicContact CE1-CG1 3.6Å; F730-I732 HydrophobicContact CZ-CG1 4.46Å |
| 731 | K | 97.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 0% | 0.004 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 144.6 | 168 | 76.9 | 171.4 | -168.1 | 173.4 | 0 | 111.1 | S575 M576 F579 L725 T735 G737 | S575-K731 WeakPolarHBondContact O-CE 3.37Å; S575-K731 PolarHBondContact O-NZ 3.06Å; S575-K731 VanDerWaalsContact O-NZ 3.08Å; S575-K731 PolarHBondContact OG-NZ 3.22Å; M576-K731 VanDerWaalsContact CE-O 3.23Å; M576-K731 WeakPolarHBondContact CE-O 3.45Å; M576-K731 HydrophobicContact CG-CG 4.1Å; F579-K731 HydrophobicContact CB-CD 3.6Å; F579-K731 HydrophobicContact CB-CG 4.07Å; F579-K731 HydrophobicContact CD1-CB 4.06Å; F579-K731 HydrophobicContact CD1-CD 4.18Å; F579-K731 HydrophobicContact CD1-CG 3.83Å; F579-K731 HydrophobicContact CD2-CD 4.01Å; F579-K731 HydrophobicContact CD2-CG 4.45Å; F579-K731 HydrophobicContact CE1-CB 4.17Å; F579-K731 HydrophobicContact CE1-CG 4.43Å; F579-K731 HydrophobicContact CG-CB 4.26Å; F579-K731 HydrophobicContact CG-CD 3.66Å; F579-K731 HydrophobicContact CG-CG 3.85Å; F579-K731 HydrophobicContact CZ-CB 4.41Å; L725-K731 HydrophobicContact CB-CB 3.8Å; K731-T735 WeakPolarHBondContact CD-O 3.31Å; K731-G737 PolarHBondContact NZ-O 3.44Å |
| 732 | I | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.058 | C | C | . | . | trans | -87 | 115.7 | 175.6 | -65.2 | 165.9 | 0 | 0 | 0 | 108.9 | F557 V634 A691 I693 I717 G724 F730 N734 T735 | F557-I732 HydrophobicContact CE1-CD1 4.3Å; F557-I732 HydrophobicContact CE2-CD1 4.45Å; F557-I732 HydrophobicContact CZ-CD1 3.65Å; F557-I732 HydrophobicContact CZ-CG1 4.25Å; V634-I732 HydrophobicContact CG1-CG2 3.83Å; V634-I732 HydrophobicContact CG2-CG2 4.13Å; A691-I732 HydrophobicContact CB-CD1 3.99Å; A691-I732 HydrophobicContact CB-CG1 4.45Å; A691-I732 HydrophobicContact CB-CG2 3.6Å; I693-I732 HydrophobicContact CD1-CG2 4.27Å; I717-I732 HydrophobicContact CD1-CD1 3.78Å; G724-I732 PolarHBondContact O-N 2.85Å; F730-I732 HydrophobicContact CD1-CG1 4.31Å; F730-I732 HydrophobicContact CE1-CG1 3.6Å; F730-I732 HydrophobicContact CZ-CG1 4.46Å; I732-N734 PolarHBondContact O-N 3.3Å; I732-T735 WeakPolarHBondContact O-CB 3.29Å; I732-T735 PolarHBondContact O-N 2.9Å; I732-T735 PolarHBondContact O-OG1 3.34Å | ||
| 733 | G | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | -119.3 | 170 | 0 | 0 | 0 | 0 | 0 | 113.1 | M576 T735 | M576-G733 PolarHBondContact SD-N 3.2Å; M576-G733 VanDerWaalsContact SD-N 3.35Å; G733-T735 PolarHBondContact O-N 2.96Å |
| 734 | N | 95.1 | Very high | 94.3 | Very high | 30 Ų | 30 | 15.4 Ų | 15.4 | 16% | 0.16 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 2.1 | -174.8 | -65.3 | -45.3 | 0 | 0 | 0 | 114.4 | N406 F407 A572 V722 I732 G736 G737 | N406-N734 WeakPolarHBondContact CB-O 3.44Å; F407-N734 HydrophobicContact CB-CB 3.88Å; F407-N734 HydrophobicContact CD1-CB 4.12Å; F407-N734 HydrophobicContact CG-CB 4.39Å; A572-N734 WeakPolarHBondContact CA-OD1 3.34Å; A572-N734 VanDerWaalsContact CB-OD1 3.27Å; A572-N734 WeakPolarHBondContact CB-OD1 3.26Å; V722-N734 HydrophobicContact CG2-CB 4.37Å; I732-N734 PolarHBondContact O-N 3.3Å; N734-G736 PolarHBondContact O-N 2.84Å; N734-G737 PolarHBondContact O-N 3.5Å |
| 735 | T | 96.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.006 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 131.9 | -175.6 | -50.6 | 0 | 0 | 0 | 0 | 111 | V722 G724 L725 K731 I732 G733 G737 | V722-T735 HydrophobicContact CG1-CG2 4.22Å; V722-T735 PolarHBondContact O-OG1 3.42Å; G724-T735 PolarHBondContact N-OG1 2.82Å; G724-T735 VanDerWaalsContact N-OG1 3.16Å; L725-T735 HydrophobicContact CB-CG2 4.32Å; L725-T735 HydrophobicContact CD2-CG2 4.02Å; L725-T735 HydrophobicContact CG-CG2 4.45Å; K731-T735 WeakPolarHBondContact CD-O 3.31Å; I732-T735 WeakPolarHBondContact O-CB 3.29Å; I732-T735 PolarHBondContact O-N 2.9Å; I732-T735 PolarHBondContact O-OG1 3.34Å; G733-T735 PolarHBondContact O-N 2.96Å; T735-G737 PolarHBondContact O-N 3.33Å |
| 736 | G | 93.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | N406 N734 N741 | N406-G736 PolarHBondContact OD1-N 3.45Å; N734-G736 PolarHBondContact O-N 2.84Å; G736-N741 PolarHBondContact O-ND2 3.22Å |
| 737 | G | 92.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 3% | 0.031 | 11% | 0.106 | C | C | . | . | trans | 67.3 | -145.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | N406 S575 K731 N734 T735 | N406-G737 WeakPolarHBondContact O-CA 3.39Å; S575-G737 PolarHBondContact OG-O 3.17Å; S575-G737 VanDerWaalsContact OG-O 3.11Å; K731-G737 PolarHBondContact NZ-O 3.44Å; N734-G737 PolarHBondContact O-N 3.5Å; T735-G737 PolarHBondContact O-N 3.33Å | ||
| 738 | M | 89.2 | Confident | 94.1 | Very high | 51 Ų | 51 | 18.8 Ų | 18.8 | 25% | 0.251 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -70.4 | 161.4 | -175.7 | -73.4 | 178.3 | 70.3 | 0 | 0 | 112.2 | P442 D740 N741 I742 | P442-M738 VanDerWaalsContact CA-SD 3.57Å; P442-M738 HydrophobicContact CB-CG 4.24Å; P442-M738 HydrophobicContact CB-SD 3.66Å; P442-M738 HydrophobicContact CG-CG 4.28Å; P442-M738 HydrophobicContact CG-SD 4.33Å; M738-D740 WeakPolarHBondContact CB-OD1 3.46Å; M738-D740 PolarHBondContact O-N 3.05Å; M738-N741 PolarHBondContact O-N 3.35Å; M738-I742 PolarHBondContact O-N 3.06Å; M738-I742 VanDerWaalsContact O-N 3.14Å |
| 739 | T | 89 | Confident | 94.1 | Very high | 30 Ų | 30 | 19 Ų | 19 | 18% | 0.184 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.2 | -32.8 | -177.3 | -53.3 | 0 | 0 | 0 | 0 | 112.8 | N741 I742 L743 V933 | T739-N741 PolarHBondContact O-N 3.43Å; T739-I742 PolarHBondContact O-N 3.42Å; T739-L743 HydrophobicContact CG2-CD1 4.03Å; T739-L743 HydrophobicContact CG2-CG 4.22Å; T739-L743 WeakPolarHBondContact O-CB 3.24Å; T739-L743 WeakPolarHBondContact O-CG 3.49Å; T739-L743 PolarHBondContact O-N 3.3Å; T739-V933 HydrophobicContact CG2-CB 4.17Å; T739-V933 HydrophobicContact CG2-CG1 4.49Å; T739-V933 HydrophobicContact CG2-CG2 4.29Å |
| 740 | D | 88 | Confident | 94.1 | Very high | 25 Ų | 25 | 20.5 Ų | 20.5 | 13% | 0.134 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.7 | -43.7 | 175.4 | 64.8 | -25.5 | 0 | 0 | 0 | 112.6 | Q445 Y502 M738 L743 A744 | Q445-D740 PolarHBondContact NE2-OD2 3.09Å; Y502-D740 HydrophobicContact CE1-CB 4.23Å; M738-D740 WeakPolarHBondContact CB-OD1 3.46Å; M738-D740 PolarHBondContact O-N 3.05Å; D740-L743 PolarHBondContact O-N 3.1Å; D740-A744 VanDerWaalsContact O-CB 3.28Å; D740-A744 WeakPolarHBondContact O-CB 3.5Å; D740-A744 PolarHBondContact O-N 3.27Å |
| 741 | N | 92.2 | Very high | 94 | Very high | 16 Ų | 16 | 20.5 Ų | 20.5 | 9% | 0.086 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -73.9 | -35.6 | 176.1 | -173 | 64.8 | 0 | 0 | 0 | 112.7 | G736 M738 T739 L743 A744 S745 N764 | G736-N741 PolarHBondContact O-ND2 3.22Å; M738-N741 PolarHBondContact O-N 3.35Å; T739-N741 PolarHBondContact O-N 3.43Å; N741-L743 PolarHBondContact O-N 3.19Å; N741-A744 PolarHBondContact O-N 2.92Å; N741-S745 WeakPolarHBondContact O-CB 3.4Å; N741-S745 PolarHBondContact O-N 2.88Å; N741-N764 PolarHBondContact ND2-ND2 3.41Å; N741-N764 PolarHBondContact ND2-OD1 3.18Å |
| 742 | I | 93.6 | Very high | 94 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.4 | -41.6 | 172.1 | -62.8 | -57.4 | 0 | 0 | 0 | 110.7 | F579 M738 T739 K746 L747 | F579-I742 HydrophobicContact CD2-CD1 4.11Å; F579-I742 HydrophobicContact CD2-CG1 4.48Å; F579-I742 HydrophobicContact CD2-CG2 3.91Å; M738-I742 PolarHBondContact O-N 3.06Å; M738-I742 VanDerWaalsContact O-N 3.14Å; T739-I742 PolarHBondContact O-N 3.42Å; I742-K746 CarbonylContact O-C 3.54Å; I742-K746 WeakPolarHBondContact O-CA 3.49Å; I742-K746 PolarHBondContact O-N 3.47Å; I742-L747 HydrophobicContact CD1-CB 4.23Å; I742-L747 HydrophobicContact CD1-CD1 3.8Å; I742-L747 HydrophobicContact CG2-CB 4.21Å; I742-L747 PolarHBondContact O-N 3.1Å |
| 743 | L | 92.7 | Very high | 94 | Very high | 55 Ų | 55 | 20.7 Ų | 20.7 | 29% | 0.288 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -72.8 | -47.4 | 177.3 | -64.9 | 172.4 | 0 | 0 | 0 | 111.7 | T739 D740 N741 K746 Y748 P930 | T739-L743 HydrophobicContact CG2-CD1 4.03Å; T739-L743 HydrophobicContact CG2-CG 4.22Å; T739-L743 WeakPolarHBondContact O-CB 3.24Å; T739-L743 WeakPolarHBondContact O-CG 3.49Å; T739-L743 PolarHBondContact O-N 3.3Å; D740-L743 PolarHBondContact O-N 3.1Å; N741-L743 PolarHBondContact O-N 3.19Å; L743-K746 WeakPolarHBondContact O-CA 3.44Å; L743-K746 PolarHBondContact O-N 3.26Å; L743-Y748 HydrophobicContact CD2-CD1 4.1Å; L743-Y748 HydrophobicContact CD2-CE1 4.37Å; L743-P930 HydrophobicContact CD2-CB 3.93Å; L743-P930 HydrophobicContact CD2-CG 3.31Å |
| 744 | A | 91.5 | Very high | 94.1 | Very high | 68 Ų | 68 | 20.7 Ų | 20.7 | 56% | 0.562 | 12% | 0.118 | S | C | * | . | H | α-helix | trans | -62.9 | -44.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D740 N741 K746 | D740-A744 VanDerWaalsContact O-CB 3.28Å; D740-A744 WeakPolarHBondContact O-CB 3.5Å; D740-A744 PolarHBondContact O-N 3.27Å; N741-A744 PolarHBondContact O-N 2.92Å; A744-K746 PolarHBondContact O-N 2.92Å |
| 745 | S | 94.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 3.8 | 174.4 | -62.1 | 0 | 0 | 0 | 0 | 112.8 | N741 L747 S771 | N741-S745 WeakPolarHBondContact O-CB 3.4Å; N741-S745 PolarHBondContact O-N 2.88Å; S745-L747 VanDerWaalsContact C-N 3.29Å; S745-L747 PolarHBondContact O-N 3.04Å; S745-S771 VanDerWaalsContact O-CB 3.27Å; S745-S771 WeakPolarHBondContact O-CB 3.44Å |
| 746 | K | 95.5 | Very high | 94.3 | Very high | 68 Ų | 68 | 19.2 Ų | 19.2 | 30% | 0.296 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 41.4 | 178.2 | -41.3 | -176.7 | 178.1 | -173.4 | 0 | 114.1 | I742 L743 A744 Y748 R749 D927 | I742-K746 CarbonylContact O-C 3.54Å; I742-K746 WeakPolarHBondContact O-CA 3.49Å; I742-K746 PolarHBondContact O-N 3.47Å; L743-K746 WeakPolarHBondContact O-CA 3.44Å; L743-K746 PolarHBondContact O-N 3.26Å; A744-K746 PolarHBondContact O-N 2.92Å; K746-Y748 VanDerWaalsContact C-N 3.25Å; K746-Y748 HydrophobicContact CB-CE1 4.13Å; K746-Y748 PolarHBondContact O-N 2.97Å; K746-R749 VanDerWaalsContact CB-NH1 3.26Å; K746-R749 VanDerWaalsContact O-CD 3.26Å; K746-R749 WeakPolarHBondContact O-CD 3.37Å; K746-R749 PolarHBondContact O-NH1 3.41Å; K746-D927 IonicContact NZ-OD2 3.98Å; K746-D927 PolarHBondContact NZ-OD2 3.44Å |
| 747 | L | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -7.2 | -175.1 | -60.4 | 169.8 | 0 | 0 | 0 | 113.4 | F579 L725 S727 G728 I742 S745 R749 N767 V777 | F579-L747 WeakPolarHBondContact CE2-O 3.48Å; L725-L747 HydrophobicContact CD1-CD2 4.1Å; L725-L747 HydrophobicContact CD2-CD1 3.84Å; L725-L747 HydrophobicContact CD2-CD2 4.23Å; L725-L747 HydrophobicContact CD2-CG 4.46Å; S727-L747 WeakPolarHBondContact CA-O 3.38Å; S727-L747 WeakPolarHBondContact CB-O 3.33Å; G728-L747 PolarHBondContact N-O 2.85Å; I742-L747 HydrophobicContact CD1-CB 4.23Å; I742-L747 HydrophobicContact CD1-CD1 3.8Å; I742-L747 HydrophobicContact CG2-CB 4.21Å; I742-L747 PolarHBondContact O-N 3.1Å; S745-L747 VanDerWaalsContact C-N 3.29Å; S745-L747 PolarHBondContact O-N 3.04Å; L747-R749 PolarHBondContact O-N 2.79Å; L747-N767 HydrophobicContact CD1-CB 4.15Å; L747-N767 HydrophobicContact CD2-CB 4.03Å; L747-V777 HydrophobicContact CD2-CB 4.14Å; L747-V777 HydrophobicContact CD2-CG2 4.28Å |
| 748 | Y | 95.4 | Very high | 94.4 | Very high | 18 Ų | 18 | 19.4 Ų | 19.4 | 7% | 0.071 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -9.2 | 177.9 | 63.6 | -92.5 | 0 | 0 | 0 | 113.5 | S583 G728 L743 K746 D927 H928 P930 | S583-Y748 WeakPolarHBondContact CA-O 3.41Å; G728-Y748 VanDerWaalsContact CA-O 3.3Å; G728-Y748 WeakPolarHBondContact CA-O 3.45Å; L743-Y748 HydrophobicContact CD2-CD1 4.1Å; L743-Y748 HydrophobicContact CD2-CE1 4.37Å; K746-Y748 VanDerWaalsContact C-N 3.25Å; K746-Y748 HydrophobicContact CB-CE1 4.13Å; K746-Y748 PolarHBondContact O-N 2.97Å; Y748-D927 PolarHBondContact OH-OD1 2.85Å; Y748-H928 WeakPolarHBondContact CE2-O 3.29Å; Y748-H928 PolarHBondContact OH-O 3.12Å; Y748-P930 HydrophobicContact CD1-CB 4.1Å; Y748-P930 HydrophobicContact CD1-CG 4.15Å; Y748-P930 HydrophobicContact CD2-CB 3.57Å; Y748-P930 HydrophobicContact CD2-CG 4.18Å; Y748-P930 HydrophobicContact CE1-CB 4.32Å; Y748-P930 HydrophobicContact CE1-CG 3.96Å; Y748-P930 HydrophobicContact CE2-CB 3.79Å; Y748-P930 HydrophobicContact CE2-CG 3.96Å; Y748-P930 HydrophobicContact CG-CB 3.72Å; Y748-P930 HydrophobicContact CG-CG 4.26Å |
| 749 | R | 95.1 | Very high | 94.3 | Very high | 15 Ų | 15 | 17.2 Ų | 17.2 | 6% | 0.057 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -138.8 | 147.3 | 175 | 78.4 | -69.5 | -178 | -75.9 | -15.7 | 112.4 | S727 K746 L747 D775 D927 H928 | S727-R749 VanDerWaalsContact CB-O 3.24Å; S727-R749 WeakPolarHBondContact CB-O 3.42Å; K746-R749 VanDerWaalsContact CB-NH1 3.26Å; K746-R749 VanDerWaalsContact O-CD 3.26Å; K746-R749 WeakPolarHBondContact O-CD 3.37Å; K746-R749 PolarHBondContact O-NH1 3.41Å; L747-R749 PolarHBondContact O-N 2.79Å; R749-D775 PolarHBondContact NH2-O 3.02Å; R749-D927 IonicContact CZ-OD1 3.31Å; R749-D927 IonicContact NE-OD1 2.75Å; R749-D927 PolarHBondContact NE-OD1 3.14Å; R749-D927 IonicContact NH2-OD1 2.86Å; R749-D927 PolarHBondContact NH2-OD1 2.82Å; R749-D927 IonicContact NH2-OD2 3.91Å; R749-D927 PolarHBondContact NH2-OD2 3.47Å; R749-H928 WeakPolarHBondContact CB-CE1 3.47Å |
| 750 | P | 95.5 | Very high | 94 | Very high | 49 Ų | 49 | 16.4 Ų | 16.4 | 32% | 0.318 | 10% | 0.097 | S | C | . | . | trans | -72.4 | 134.7 | -178.9 | 30.1 | -35.1 | 0 | 0 | 0 | 112.4 | Y778 | P750-Y778 HydrophobicContact CB-CD2 3.91Å; P750-Y778 HydrophobicContact CB-CE2 4.29Å | ||
| 751 | G | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -93.9 | -147 | 159.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G776 V777 Y778 K925 | G751-G776 WeakPolarHBondContact CA-O 3.28Å; G751-V777 PolarHBondContact N-O 3.41Å; G751-V777 VanDerWaalsContact N-O 3.09Å; G751-Y778 WeakPolarHBondContact O-CD2 3.31Å; G751-K925 WeakPolarHBondContact O-CD 3.2Å; G751-K925 WeakPolarHBondContact O-CE 3.36Å; G751-K925 PolarHBondContact O-NZ 2.94Å; G751-K925 VanDerWaalsContact O-NZ 3.09Å | ||
| 752 | S | 97.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 3% | 0.028 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -122.8 | 0.9 | -176.8 | -55.6 | 0 | 0 | 0 | 0 | 113.8 | D775 G776 G807 K925 | S752-D775 WeakPolarHBondContact CB-OD1 3.45Å; S752-D775 WeakPolarHBondContact CB-OD2 3.25Å; S752-D775 PolarHBondContact N-OD1 3.46Å; S752-D775 PolarHBondContact N-OD2 2.9Å; S752-D775 PolarHBondContact OG-OD2 2.92Å; S752-G776 PolarHBondContact N-O 2.91Å; S752-G807 PolarHBondContact O-N 3.19Å; S752-K925 WeakPolarHBondContact OG-CE 3.38Å |
| 753 | V | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 125.4 | -178.5 | -175.9 | 0 | 0 | 0 | 0 | 110.6 | I770 S774 G776 V777 Y778 M808 V810 F913 | V753-I770 HydrophobicContact CB-CG2 3.7Å; V753-I770 HydrophobicContact CG1-CD1 3.94Å; V753-I770 HydrophobicContact CG1-CG1 4.23Å; V753-I770 HydrophobicContact CG1-CG2 3.88Å; V753-I770 HydrophobicContact CG2-CG2 4.05Å; V753-S774 VanDerWaalsContact CG2-OG 3.25Å; V753-S774 WeakPolarHBondContact CG2-OG 3.35Å; V753-G776 PolarHBondContact N-O 3.16Å; V753-V777 CarbonylContact O-C 3.56Å; V753-V777 WeakPolarHBondContact O-CA 3.28Å; V753-Y778 PolarHBondContact O-N 3.27Å; V753-M808 HydrophobicContact CB-CG 4.27Å; V753-M808 HydrophobicContact CG1-CG 4.11Å; V753-M808 HydrophobicContact CG2-CG 3.72Å; V753-M808 HydrophobicContact CG2-SD 3.91Å; V753-V810 HydrophobicContact CG1-CG2 3.7Å; V753-F913 HydrophobicContact CG2-CD2 4.37Å |
| 754 | A | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 150 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111 | E779 Y800 I806 M808 I809 V810 | A754-E779 CarbonylContact C-O 3.5Å; A754-E779 WeakPolarHBondContact CA-O 3.39Å; A754-E779 WeakPolarHBondContact CB-O 3.38Å; A754-Y800 HydrophobicContact CB-CD1 3.79Å; A754-Y800 HydrophobicContact CB-CD2 3.77Å; A754-Y800 HydrophobicContact CB-CE1 4.02Å; A754-Y800 HydrophobicContact CB-CE2 4.02Å; A754-Y800 HydrophobicContact CB-CG 3.66Å; A754-I806 HydrophobicContact CB-CD1 3.6Å; A754-I806 HydrophobicContact CB-CG1 4.02Å; A754-I806 HydrophobicContact CB-CG2 3.76Å; A754-M808 PolarHBondContact N-O 3.03Å; A754-I809 CarbonylContact O-C 3.39Å; A754-I809 WeakPolarHBondContact O-CA 3.33Å; A754-V810 PolarHBondContact O-N 3.05Å |
| 755 | Y | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 153.8 | 173.6 | 74.7 | -99 | 0 | 0 | 0 | 113.7 | S763 L766 N767 I770 V777 E779 G780 V781 Y800 V810 | Y755-S763 PolarHBondContact OH-O 3.33Å; Y755-S763 VanDerWaalsContact OH-O 3.1Å; Y755-L766 HydrophobicContact CD1-CB 4.39Å; Y755-L766 HydrophobicContact CD2-CB 4.45Å; Y755-L766 HydrophobicContact CD2-CD1 3.72Å; Y755-L766 HydrophobicContact CE1-CB 4.45Å; Y755-L766 HydrophobicContact CE2-CD1 4.28Å; Y755-L766 HydrophobicContact CG-CB 4.38Å; Y755-L766 HydrophobicContact CG-CD1 4.05Å; Y755-N767 WeakPolarHBondContact CE1-OD1 3.27Å; Y755-N767 PolarHBondContact OH-OD1 3.44Å; Y755-I770 HydrophobicContact CD1-CD1 3.63Å; Y755-I770 HydrophobicContact CE1-CD1 4.46Å; Y755-I770 HydrophobicContact CG-CD1 4.21Å; Y755-V777 HydrophobicContact CD1-CG1 4.03Å; Y755-V777 HydrophobicContact CD1-CG2 4.15Å; Y755-V777 HydrophobicContact CE1-CG1 3.79Å; Y755-V777 HydrophobicContact CE1-CG2 3.95Å; Y755-E779 PolarHBondContact N-O 3.02Å; Y755-G780 VanDerWaalsContact CE1-CA 3.46Å; Y755-G780 WeakPolarHBondContact O-CA 3.19Å; Y755-V781 PolarHBondContact O-N 2.69Å; Y755-Y800 PolarHBondContact O-OH 3.27Å; Y755-V810 CarbonylContact C-O 3.59Å; Y755-V810 WeakPolarHBondContact CA-O 3.44Å; Y755-V810 WeakPolarHBondContact CB-O 3.4Å |
| 756 | V | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 133.7 | 169.3 | 58.7 | 0 | 0 | 0 | 0 | 109.9 | V781 I783 F793 H796 I797 Y800 V810 V811 L812 | V756-V781 WeakPolarHBondContact CA-O 2.95Å; V756-I783 HydrophobicContact CG2-CG2 3.62Å; V756-F793 HydrophobicContact CB-CD1 4.18Å; V756-F793 HydrophobicContact CG1-CD1 3.67Å; V756-F793 HydrophobicContact CG1-CE1 4.34Å; V756-F793 HydrophobicContact CG2-CD1 3.6Å; V756-F793 HydrophobicContact CG2-CE1 4.06Å; V756-H796 HydrophobicContact CB-CB 4.34Å; V756-H796 HydrophobicContact CG2-CB 4.12Å; V756-I797 HydrophobicContact CG1-CD1 4.28Å; V756-I797 HydrophobicContact CG1-CG1 3.99Å; V756-Y800 HydrophobicContact CB-CE2 4.21Å; V756-V810 PolarHBondContact N-O 3.31Å; V756-V811 HydrophobicContact CG1-CG1 4.37Å; V756-V811 HydrophobicContact CG1-CG2 4.01Å; V756-L812 PolarHBondContact O-N 2.89Å |
| 757 | S | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 152.2 | -174.9 | 168.8 | 0 | 0 | 0 | 0 | 110.3 | S759 S763 V781 A782 I783 | S757-S759 PolarHBondContact OG-N 2.72Å; S757-S759 VanDerWaalsContact OG-N 3.13Å; S757-S759 PolarHBondContact OG-O 2.67Å; S757-S763 WeakPolarHBondContact CB-OG 3.49Å; S757-V781 PolarHBondContact N-O 2.93Å; S757-A782 CarbonylContact O-C 3.6Å; S757-A782 WeakPolarHBondContact O-CA 3.4Å; S757-I783 PolarHBondContact O-N 3.06Å |
| 758 | R | 90.8 | Very high | 94.3 | Very high | 7 Ų | 7 | 7.4 Ų | 7.4 | 3% | 0.026 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -76 | -46.3 | 164.8 | -87.9 | 179.5 | 170.3 | -114.4 | -7.7 | 112.2 | I783 G784 F793 L812 E819 | R758-I783 HydrophobicContact CG-CD1 3.88Å; R758-I783 HydrophobicContact CG-CG1 3.86Å; R758-G784 CarbonylContact O-C 3.45Å; R758-G784 PolarHBondContact O-N 3.29Å; R758-F793 HydrophobicContact CG-CE2 4.26Å; R758-F793 HydrophobicContact CG-CZ 3.77Å; R758-L812 PolarHBondContact N-O 3.02Å; R758-E819 IonicContact CZ-OE2 2.87Å; R758-E819 IonicContact NE-OE2 3.46Å; R758-E819 IonicContact NH2-OE1 3.56Å; R758-E819 PolarHBondContact NH2-OE1 3.2Å; R758-E819 IonicContact NH2-OE2 3.46Å; R758-E819 PolarHBondContact NH2-OE2 3.09Å |
| 759 | S | 87 | Confident | 94.3 | Very high | 6 Ų | 6 | 6.5 Ų | 6.5 | 4% | 0.042 | 5% | 0.046 | C | C | . | . | trans | -81.7 | 119.9 | -174.7 | 179.4 | 0 | 0 | 0 | 0 | 112.5 | S757 G761 M762 S763 | S757-S759 PolarHBondContact OG-N 2.72Å; S757-S759 VanDerWaalsContact OG-N 3.13Å; S757-S759 PolarHBondContact OG-O 2.67Å; S759-G761 VanDerWaalsContact C-N 3.31Å; S759-G761 PolarHBondContact O-N 2.96Å; S759-G761 PolarHBondContact OG-N 3.07Å; S759-M762 PolarHBondContact O-N 3.02Å; S759-M762 PolarHBondContact OG-N 3.33Å; S759-S763 PolarHBondContact O-N 2.82Å; S759-S763 PolarHBondContact O-OG 3.36Å; S759-S763 VanDerWaalsContact O-OG 3.05Å | ||
| 760 | G | 84 | Confident | 94.4 | Very high | 13 Ų | 13 | 5.8 Ų | 5.8 | 13% | 0.134 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -63.8 | -33.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N406 S763 | N406-G760 PolarHBondContact ND2-O 2.87Å; G760-S763 WeakPolarHBondContact O-CB 3.24Å; G760-S763 PolarHBondContact O-N 3.48Å |
| 761 | G | 84.1 | Confident | 94.4 | Very high | 25 Ų | 25 | 4.2 Ų | 4.2 | 26% | 0.258 | 3% | 0.033 | S | C | . | . | H | α-helix | trans | -67.1 | -42.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S759 S763 N764 E765 | S759-G761 VanDerWaalsContact C-N 3.31Å; S759-G761 PolarHBondContact O-N 2.96Å; S759-G761 PolarHBondContact OG-N 3.07Å; G761-S763 VanDerWaalsContact C-N 3.33Å; G761-S763 PolarHBondContact O-N 2.76Å; G761-N764 PolarHBondContact O-N 3.23Å; G761-E765 PolarHBondContact O-N 3.32Å |
| 762 | M | 93.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -72.7 | -25.4 | 177.4 | -61.9 | -52.4 | -55.2 | 0 | 0 | 113.1 | A332 I335 M471 S759 N764 E765 L766 L812 F902 | A332-M762 HydrophobicContact CB-SD 3.99Å; I335-M762 HydrophobicContact CD1-CE 3.24Å; I335-M762 HydrophobicContact CD1-CG 3.98Å; I335-M762 HydrophobicContact CD1-SD 3.55Å; I335-M762 VanDerWaalsContact CD1-SD 3.55Å; M471-M762 HydrophobicContact CE-CE 3.73Å; M471-M762 HydrophobicContact CE-SD 4.01Å; M471-M762 HydrophobicContact SD-CE 4.07Å; M471-M762 HydrophobicContact SD-SD 3.98Å; S759-M762 PolarHBondContact O-N 3.02Å; S759-M762 PolarHBondContact OG-N 3.33Å; M762-N764 PolarHBondContact O-N 2.95Å; M762-E765 HydrophobicContact CE-CB 3.78Å; M762-E765 HydrophobicContact CE-CG 3.93Å; M762-E765 CarbonylContact O-C 3.47Å; M762-E765 WeakPolarHBondContact O-CB 3.46Å; M762-E765 PolarHBondContact O-N 3.09Å; M762-E765 VanDerWaalsContact O-N 3.13Å; M762-E765 HydrophobicContact SD-CB 4.45Å; M762-L766 WeakPolarHBondContact O-CG 3.44Å; M762-L766 PolarHBondContact O-N 2.78Å; M762-L812 HydrophobicContact CB-CD2 3.4Å; M762-L812 HydrophobicContact CE-CD2 4.47Å; M762-L812 HydrophobicContact CG-CD2 4Å; M762-F902 HydrophobicContact CE-CE1 4.12Å; M762-F902 HydrophobicContact CE-CE2 3.87Å; M762-F902 HydrophobicContact CE-CZ 3.36Å |
| 763 | S | 94.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 9.8 Ų | 9.8 | 1% | 0.007 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -57 | -37.4 | 170.5 | -63 | 0 | 0 | 0 | 0 | 112.1 | Y755 S757 S759 G760 G761 L766 N767 A782 | Y755-S763 PolarHBondContact OH-O 3.33Å; Y755-S763 VanDerWaalsContact OH-O 3.1Å; S757-S763 WeakPolarHBondContact CB-OG 3.49Å; S759-S763 PolarHBondContact O-N 2.82Å; S759-S763 PolarHBondContact O-OG 3.36Å; S759-S763 VanDerWaalsContact O-OG 3.05Å; G760-S763 WeakPolarHBondContact O-CB 3.24Å; G760-S763 PolarHBondContact O-N 3.48Å; G761-S763 VanDerWaalsContact C-N 3.33Å; G761-S763 PolarHBondContact O-N 2.76Å; S763-L766 PolarHBondContact O-N 3.01Å; S763-N767 VanDerWaalsContact O-CG 3.31Å; S763-N767 PolarHBondContact O-N 3.24Å; S763-N767 PolarHBondContact O-OD1 3.32Å; S763-A782 WeakPolarHBondContact OG-CB 3.2Å |
| 764 | N | 95.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -78.8 | -27.5 | 177.5 | -156.5 | 26.7 | 0 | 0 | 0 | 113.1 | I404 A405 N741 G761 M762 N767 N768 | I404-N764 HydrophobicContact CB-CB 4.36Å; I404-N764 VanDerWaalsContact CG2-ND2 3.28Å; I404-N764 WeakPolarHBondContact CG2-ND2 3.14Å; I404-N764 WeakPolarHBondContact O-CB 3.44Å; I404-N764 PolarHBondContact O-ND2 2.86Å; A405-N764 PolarHBondContact O-ND2 2.81Å; N741-N764 PolarHBondContact ND2-ND2 3.41Å; N741-N764 PolarHBondContact ND2-OD1 3.18Å; G761-N764 PolarHBondContact O-N 3.23Å; M762-N764 PolarHBondContact O-N 2.95Å; N764-N767 WeakPolarHBondContact O-CB 3.43Å; N764-N767 PolarHBondContact O-N 2.87Å; N764-N767 PolarHBondContact OD1-ND2 2.65Å; N764-N768 PolarHBondContact O-N 3.45Å |
| 765 | E | 95.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.4 | -39.3 | 167.5 | -163 | 67.5 | -143.5 | 0 | 0 | 111.2 | G403 I404 R438 M471 G761 M762 N767 N768 I769 | G403-E765 VanDerWaalsContact CA-OE2 3.25Å; G403-E765 WeakPolarHBondContact CA-OE2 3.38Å; I404-E765 WeakPolarHBondContact CG1-OE2 3.36Å; I404-E765 PolarHBondContact N-OE2 3.12Å; R438-E765 IonicContact CZ-OE1 3.61Å; R438-E765 IonicContact CZ-OE2 3.57Å; R438-E765 IonicContact NH1-OE1 2.76Å; R438-E765 PolarHBondContact NH1-OE1 3.33Å; R438-E765 IonicContact NH1-OE2 2.81Å; R438-E765 PolarHBondContact NH1-OE2 2.91Å; R438-E765 IonicContact NH2-OE1 3.26Å; R438-E765 PolarHBondContact NH2-OE1 2.72Å; R438-E765 IonicContact NH2-OE2 2.79Å; M471-E765 HydrophobicContact SD-CG 4.33Å; G761-E765 PolarHBondContact O-N 3.32Å; M762-E765 HydrophobicContact CE-CB 3.78Å; M762-E765 HydrophobicContact CE-CG 3.93Å; M762-E765 CarbonylContact O-C 3.47Å; M762-E765 WeakPolarHBondContact O-CB 3.46Å; M762-E765 PolarHBondContact O-N 3.09Å; M762-E765 VanDerWaalsContact O-N 3.13Å; M762-E765 HydrophobicContact SD-CB 4.45Å; E765-N767 VanDerWaalsContact C-N 3.35Å; E765-N767 PolarHBondContact O-N 2.74Å; E765-N768 WeakPolarHBondContact O-CB 3.47Å; E765-N768 PolarHBondContact O-N 3.06Å; E765-I769 HydrophobicContact CG-CD1 4.01Å; E765-I769 WeakPolarHBondContact O-CG1 3.18Å; E765-I769 PolarHBondContact O-N 3.48Å |
| 766 | L | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 173.4 | -73.6 | 174.5 | 0 | 0 | 0 | 111.6 | Y755 M762 S763 N768 I769 I770 V810 L812 L905 | Y755-L766 HydrophobicContact CD1-CB 4.39Å; Y755-L766 HydrophobicContact CD2-CB 4.45Å; Y755-L766 HydrophobicContact CD2-CD1 3.72Å; Y755-L766 HydrophobicContact CE1-CB 4.45Å; Y755-L766 HydrophobicContact CE2-CD1 4.28Å; Y755-L766 HydrophobicContact CG-CB 4.38Å; Y755-L766 HydrophobicContact CG-CD1 4.05Å; M762-L766 WeakPolarHBondContact O-CG 3.44Å; M762-L766 PolarHBondContact O-N 2.78Å; S763-L766 PolarHBondContact O-N 3.01Å; L766-N768 VanDerWaalsContact C-N 3.26Å; L766-N768 PolarHBondContact O-N 2.64Å; L766-I769 PolarHBondContact O-N 3.17Å; L766-I770 HydrophobicContact CB-CD1 4.28Å; L766-I770 WeakPolarHBondContact O-CB 3.43Å; L766-I770 WeakPolarHBondContact O-CD1 3.23Å; L766-I770 WeakPolarHBondContact O-CG1 3.11Å; L766-I770 PolarHBondContact O-N 2.82Å; L766-V810 HydrophobicContact CD2-CG1 4.12Å; L766-L812 HydrophobicContact CD1-CB 4.03Å; L766-L812 HydrophobicContact CD1-CD2 4.23Å; L766-L905 HydrophobicContact CD2-CD2 4.12Å |
| 767 | N | 97 | Very high | 94 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -52.5 | -48.4 | 172.2 | -69.9 | -25.9 | 0 | 0 | 0 | 110.8 | L747 Y755 S763 N764 E765 S771 | L747-N767 HydrophobicContact CD1-CB 4.15Å; L747-N767 HydrophobicContact CD2-CB 4.03Å; Y755-N767 WeakPolarHBondContact CE1-OD1 3.27Å; Y755-N767 PolarHBondContact OH-OD1 3.44Å; S763-N767 VanDerWaalsContact O-CG 3.31Å; S763-N767 PolarHBondContact O-N 3.24Å; S763-N767 PolarHBondContact O-OD1 3.32Å; N764-N767 WeakPolarHBondContact O-CB 3.43Å; N764-N767 PolarHBondContact O-N 2.87Å; N764-N767 PolarHBondContact OD1-ND2 2.65Å; E765-N767 VanDerWaalsContact C-N 3.35Å; E765-N767 PolarHBondContact O-N 2.74Å; N767-S771 VanDerWaalsContact O-CB 3.23Å; N767-S771 WeakPolarHBondContact O-CB 3.34Å; N767-S771 PolarHBondContact O-N 3.19Å; N767-S771 PolarHBondContact O-OG 3.48Å |
| 768 | N | 95.2 | Very high | 94 | Very high | 15 Ų | 15 | 12.8 Ų | 12.8 | 8% | 0.08 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.5 | -53.1 | 178.6 | -175.7 | 49.3 | 0 | 0 | 0 | 111.8 | I404 N764 E765 L766 I770 S771 M772 | I404-N768 HydrophobicContact CD1-CB 3.58Å; N764-N768 PolarHBondContact O-N 3.45Å; E765-N768 WeakPolarHBondContact O-CB 3.47Å; E765-N768 PolarHBondContact O-N 3.06Å; L766-N768 VanDerWaalsContact C-N 3.26Å; L766-N768 PolarHBondContact O-N 2.64Å; N768-I770 PolarHBondContact O-N 3.47Å; N768-S771 PolarHBondContact O-N 3.06Å; N768-S771 PolarHBondContact O-OG 3.21Å; N768-M772 WeakPolarHBondContact ND2-CE 3.45Å; N768-M772 WeakPolarHBondContact O-CG 3.38Å; N768-M772 PolarHBondContact O-N 3.48Å; N768-M772 VanDerWaalsContact O-N 3.13Å |
| 769 | I | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -56.2 | -48.5 | -179.5 | -68.9 | 167.1 | 0 | 0 | 0 | 111 | E765 L766 M772 N773 F902 D906 I909 | E765-I769 HydrophobicContact CG-CD1 4.01Å; E765-I769 WeakPolarHBondContact O-CG1 3.18Å; E765-I769 PolarHBondContact O-N 3.48Å; L766-I769 PolarHBondContact O-N 3.17Å; I769-M772 PolarHBondContact O-N 3.15Å; I769-N773 WeakPolarHBondContact O-CB 3.25Å; I769-N773 PolarHBondContact O-N 3.05Å; I769-N773 PolarHBondContact O-ND2 3.28Å; I769-F902 HydrophobicContact CD1-CE1 4.42Å; I769-F902 HydrophobicContact CD1-CZ 4.01Å; I769-D906 HydrophobicContact CG2-CB 3.76Å; I769-I909 HydrophobicContact CG2-CD1 3.89Å |
| 770 | I | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.4 | -45.3 | 180 | -67.2 | 167.5 | 0 | 0 | 0 | 110 | V753 Y755 L766 N768 M772 N773 S774 V777 V810 I909 | V753-I770 HydrophobicContact CB-CG2 3.7Å; V753-I770 HydrophobicContact CG1-CD1 3.94Å; V753-I770 HydrophobicContact CG1-CG1 4.23Å; V753-I770 HydrophobicContact CG1-CG2 3.88Å; V753-I770 HydrophobicContact CG2-CG2 4.05Å; Y755-I770 HydrophobicContact CD1-CD1 3.63Å; Y755-I770 HydrophobicContact CE1-CD1 4.46Å; Y755-I770 HydrophobicContact CG-CD1 4.21Å; L766-I770 HydrophobicContact CB-CD1 4.28Å; L766-I770 WeakPolarHBondContact O-CB 3.43Å; L766-I770 WeakPolarHBondContact O-CD1 3.23Å; L766-I770 WeakPolarHBondContact O-CG1 3.11Å; L766-I770 PolarHBondContact O-N 2.82Å; N768-I770 PolarHBondContact O-N 3.47Å; I770-M772 PolarHBondContact O-N 2.78Å; I770-N773 PolarHBondContact O-N 3.17Å; I770-N773 VanDerWaalsContact O-N 3.1Å; I770-S774 VanDerWaalsContact CG2-OG 3.25Å; I770-S774 WeakPolarHBondContact CG2-OG 3.29Å; I770-S774 PolarHBondContact O-N 3.03Å; I770-S774 PolarHBondContact O-OG 3.41Å; I770-V777 HydrophobicContact CB-CG2 3.95Å; I770-V777 HydrophobicContact CD1-CG2 4.04Å; I770-V777 HydrophobicContact CG2-CG2 3.76Å; I770-V810 HydrophobicContact CD1-CG2 4.37Å; I770-I909 HydrophobicContact CG1-CD1 4.4Å |
| 771 | S | 95.5 | Very high | 95.5 | Very high | 15 Ų | 15 | 11.8 Ų | 11.8 | 11% | 0.105 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59.8 | -29.8 | -179.8 | 76.3 | 0 | 0 | 0 | 0 | 114.1 | S745 N767 N768 | S745-S771 VanDerWaalsContact O-CB 3.27Å; S745-S771 WeakPolarHBondContact O-CB 3.44Å; N767-S771 VanDerWaalsContact O-CB 3.23Å; N767-S771 WeakPolarHBondContact O-CB 3.34Å; N767-S771 PolarHBondContact O-N 3.19Å; N767-S771 PolarHBondContact O-OG 3.48Å; N768-S771 PolarHBondContact O-N 3.06Å; N768-S771 PolarHBondContact O-OG 3.21Å |
| 772 | M | 93.4 | Very high | 96.1 | Very high | 102 Ų | 102 | 10.6 Ų | 10.6 | 50% | 0.502 | 6% | 0.056 | S | C | . | . | H | α-helix | trans | -86.7 | -19.8 | 178.8 | -67.3 | -172.2 | -65.5 | 0 | 0 | 113.6 | N768 I769 I770 | N768-M772 WeakPolarHBondContact ND2-CE 3.45Å; N768-M772 WeakPolarHBondContact O-CG 3.38Å; N768-M772 PolarHBondContact O-N 3.48Å; N768-M772 VanDerWaalsContact O-N 3.13Å; I769-M772 PolarHBondContact O-N 3.15Å; I770-M772 PolarHBondContact O-N 2.78Å |
| 773 | N | 95.8 | Very high | 96.3 | Very high | 19 Ų | 19 | 10.6 Ų | 10.6 | 10% | 0.102 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -122.4 | 3.5 | -169.5 | -67.7 | -75.8 | 0 | 0 | 0 | 114 | I769 I770 I909 R910 | I769-N773 WeakPolarHBondContact O-CB 3.25Å; I769-N773 PolarHBondContact O-N 3.05Å; I769-N773 PolarHBondContact O-ND2 3.28Å; I770-N773 PolarHBondContact O-N 3.17Å; I770-N773 VanDerWaalsContact O-N 3.1Å; N773-I909 HydrophobicContact CB-CG2 4.18Å; N773-R910 HydrophobicContact CB-CB 4Å; N773-R910 WeakPolarHBondContact O-CA 3.3Å |
| 774 | S | 96.4 | Very high | 96.2 | Very high | 20 Ų | 20 | 10.6 Ų | 10.6 | 14% | 0.14 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -149.8 | -167.8 | 173.9 | 78.7 | 0 | 0 | 0 | 0 | 111.4 | V753 I770 G776 | V753-S774 VanDerWaalsContact CG2-OG 3.25Å; V753-S774 WeakPolarHBondContact CG2-OG 3.35Å; I770-S774 VanDerWaalsContact CG2-OG 3.25Å; I770-S774 WeakPolarHBondContact CG2-OG 3.29Å; I770-S774 PolarHBondContact O-N 3.03Å; I770-S774 PolarHBondContact O-OG 3.41Å; S774-G776 PolarHBondContact O-N 3.15Å; S774-G776 PolarHBondContact OG-N 3.18Å |
| 775 | D | 96.1 | Very high | 95.8 | Very high | 19 Ų | 19 | 10.7 Ų | 10.7 | 10% | 0.102 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -74.9 | -9.3 | 170.5 | 65.8 | -9.6 | 0 | 0 | 0 | 114.1 | R749 S752 F913 P924 K925 | R749-D775 PolarHBondContact NH2-O 3.02Å; S752-D775 WeakPolarHBondContact CB-OD1 3.45Å; S752-D775 WeakPolarHBondContact CB-OD2 3.25Å; S752-D775 PolarHBondContact N-OD1 3.46Å; S752-D775 PolarHBondContact N-OD2 2.9Å; S752-D775 PolarHBondContact OG-OD2 2.92Å; D775-F913 HydrophobicContact CB-CE2 4.26Å; D775-F913 HydrophobicContact CB-CZ 3.78Å; D775-F913 WeakPolarHBondContact OD1-CE2 3.45Å; D775-P924 HydrophobicContact CB-CB 4.37Å; D775-K925 PolarHBondContact OD2-N 3.11Å |
| 776 | G | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | trans | 122 | -179.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G751 S752 V753 S774 | G751-G776 WeakPolarHBondContact CA-O 3.28Å; S752-G776 PolarHBondContact N-O 2.91Å; V753-G776 PolarHBondContact N-O 3.16Å; S774-G776 PolarHBondContact O-N 3.15Å; S774-G776 PolarHBondContact OG-N 3.18Å | ||
| 777 | V | 97.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.006 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 130.4 | -179.9 | 178.1 | 0 | 0 | 0 | 0 | 110.4 | L725 S727 L747 G751 V753 Y755 I770 | L725-V777 HydrophobicContact CD1-CG1 4.41Å; S727-V777 WeakPolarHBondContact CB-O 3.3Å; S727-V777 PolarHBondContact OG-O 2.96Å; L747-V777 HydrophobicContact CD2-CB 4.14Å; L747-V777 HydrophobicContact CD2-CG2 4.28Å; G751-V777 PolarHBondContact N-O 3.41Å; G751-V777 VanDerWaalsContact N-O 3.09Å; V753-V777 CarbonylContact O-C 3.56Å; V753-V777 WeakPolarHBondContact O-CA 3.28Å; Y755-V777 HydrophobicContact CD1-CG1 4.03Å; Y755-V777 HydrophobicContact CD1-CG2 4.15Å; Y755-V777 HydrophobicContact CE1-CG1 3.79Å; Y755-V777 HydrophobicContact CE1-CG2 3.95Å; I770-V777 HydrophobicContact CB-CG2 3.95Å; I770-V777 HydrophobicContact CD1-CG2 4.04Å; I770-V777 HydrophobicContact CG2-CG2 3.76Å |
| 778 | Y | 97.2 | Very high | 95 | Very high | 23 Ų | 23 | 15.9 Ų | 15.9 | 9% | 0.09 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -59.7 | 165.4 | -175.8 | -87.2 | 0 | 0 | 0 | 110.7 | K726 S727 P750 G751 V753 N803 E805 I806 | K726-Y778 WeakPolarHBondContact CA-O 3.4Å; K726-Y778 HydrophobicContact CD-CE1 4.45Å; K726-Y778 WeakPolarHBondContact CE-OH 3.43Å; K726-Y778 PolarHBondContact NZ-OH 3.05Å; S727-Y778 PolarHBondContact N-O 3.34Å; P750-Y778 HydrophobicContact CB-CD2 3.91Å; P750-Y778 HydrophobicContact CB-CE2 4.29Å; G751-Y778 WeakPolarHBondContact O-CD2 3.31Å; V753-Y778 PolarHBondContact O-N 3.27Å; Y778-N803 WeakPolarHBondContact CE1-ND2 3.46Å; Y778-N803 PolarHBondContact OH-ND2 3.17Å; Y778-N803 VanDerWaalsContact OH-ND2 3.17Å; Y778-E805 HydrophobicContact CD2-CB 4.03Å; Y778-E805 HydrophobicContact CE2-CB 3.32Å; Y778-E805 HydrophobicContact CE2-CG 4.04Å; Y778-I806 HydrophobicContact CD1-CD1 3.73Å; Y778-I806 HydrophobicContact CD1-CG1 3.53Å; Y778-I806 HydrophobicContact CE1-CD1 4.14Å; Y778-I806 HydrophobicContact CE1-CG1 4.08Å; Y778-I806 HydrophobicContact CG-CD1 4.49Å; Y778-I806 HydrophobicContact CG-CG1 3.83Å |
| 779 | E | 97.7 | Very high | 95 | Very high | 5 Ų | 5 | 15.1 Ų | 15.1 | 2% | 0.023 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 134.2 | 178.1 | -173.9 | 178.7 | 143.8 | 0 | 0 | 110.1 | L725 K726 A754 Y755 R799 Y800 | L725-E779 CarbonylContact O-C 3.47Å; L725-E779 WeakPolarHBondContact O-CA 3.42Å; K726-E779 HydrophobicContact CB-CB 4.43Å; K726-E779 HydrophobicContact CB-CG 4.21Å; K726-E779 HydrophobicContact CG-CB 4.35Å; A754-E779 CarbonylContact C-O 3.5Å; A754-E779 WeakPolarHBondContact CA-O 3.39Å; A754-E779 WeakPolarHBondContact CB-O 3.38Å; Y755-E779 PolarHBondContact N-O 3.02Å; E779-R799 IonicContact OE1-CZ 3.97Å; E779-R799 VanDerWaalsContact OE1-CZ 3.32Å; E779-R799 IonicContact OE1-NH1 3.28Å; E779-R799 PolarHBondContact OE1-NH1 3.29Å; E779-R799 IonicContact OE1-NH2 3.18Å; E779-R799 PolarHBondContact OE1-NH2 3.37Å; E779-R799 IonicContact OE2-NH1 2.76Å; E779-Y800 HydrophobicContact CB-CE1 4.07Å; E779-Y800 HydrophobicContact CG-CE1 3.99Å |
| 780 | G | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 128.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G724 L725 Y755 | G724-G780 CarbonylContact C-O 3.47Å; G724-G780 WeakPolarHBondContact CA-O 3.47Å; L725-G780 PolarHBondContact N-O 2.89Å; L725-G780 PolarHBondContact O-N 2.75Å; Y755-G780 VanDerWaalsContact CE1-CA 3.46Å; Y755-G780 WeakPolarHBondContact O-CA 3.19Å |
| 781 | V | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132.6 | 178.8 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | I717 Y755 V756 S757 I783 Y800 | I717-V781 HydrophobicContact CD1-CG1 4.34Å; I717-V781 HydrophobicContact CG1-CG1 4.48Å; I717-V781 HydrophobicContact CG2-CG1 4.05Å; Y755-V781 PolarHBondContact O-N 2.69Å; V756-V781 WeakPolarHBondContact CA-O 2.95Å; S757-V781 PolarHBondContact N-O 2.93Å; V781-I783 HydrophobicContact CG1-CG2 4.37Å; V781-Y800 WeakPolarHBondContact CG2-OH 3.14Å |
| 782 | A | 97.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.008 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 113.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109 | I717 T721 V722 G723 S757 S763 G784 | I717-A782 WeakPolarHBondContact CG2-O 3.42Å; T721-A782 WeakPolarHBondContact OG1-CB 3.42Å; T721-A782 PolarHBondContact OG1-O 3.25Å; V722-A782 HydrophobicContact CG1-CB 4.16Å; G723-A782 PolarHBondContact O-N 3.2Å; S757-A782 CarbonylContact O-C 3.6Å; S757-A782 WeakPolarHBondContact O-CA 3.4Å; S763-A782 WeakPolarHBondContact OG-CB 3.2Å; A782-G784 VanDerWaalsContact C-N 3.29Å; A782-G784 PolarHBondContact O-N 3.47Å |
| 783 | I | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.054 | C | C | . | . | trans | -73.8 | -22.4 | -178.6 | 62.7 | 175.1 | 0 | 0 | 0 | 113.1 | G718 V756 S757 R758 V781 P789 F793 H796 | G718-I783 VanDerWaalsContact CA-O 3.28Å; G718-I783 WeakPolarHBondContact CA-O 3.41Å; G718-I783 PolarHBondContact N-O 3.21Å; V756-I783 HydrophobicContact CG2-CG2 3.62Å; S757-I783 PolarHBondContact O-N 3.06Å; R758-I783 HydrophobicContact CG-CD1 3.88Å; R758-I783 HydrophobicContact CG-CG1 3.86Å; V781-I783 HydrophobicContact CG1-CG2 4.37Å; I783-P789 HydrophobicContact CB-CB 4.17Å; I783-P789 HydrophobicContact CD1-CB 4.38Å; I783-P789 HydrophobicContact CD1-CG 4.03Å; I783-P789 HydrophobicContact CG1-CB 4.28Å; I783-P789 HydrophobicContact CG1-CG 4.46Å; I783-P789 WeakPolarHBondContact O-CB 3.49Å; I783-F793 HydrophobicContact CD1-CD1 4.03Å; I783-F793 HydrophobicContact CD1-CD2 4.19Å; I783-F793 HydrophobicContact CD1-CE1 3.94Å; I783-F793 HydrophobicContact CD1-CE2 4.11Å; I783-F793 HydrophobicContact CD1-CG 4.15Å; I783-F793 HydrophobicContact CD1-CZ 3.98Å; I783-H796 VanDerWaalsContact CG2-CD2 3.47Å; I783-H796 WeakPolarHBondContact CG2-CD2 3.39Å | ||
| 784 | G | 92.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.057 | C | C | . | . | trans | 109.2 | 158 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | P719 A720 R758 A782 | P719-G784 WeakPolarHBondContact O-CA 3.43Å; A720-G784 VanDerWaalsContact O-CA 3.23Å; A720-G784 WeakPolarHBondContact O-CA 3.31Å; R758-G784 CarbonylContact O-C 3.45Å; R758-G784 PolarHBondContact O-N 3.29Å; A782-G784 VanDerWaalsContact C-N 3.29Å; A782-G784 PolarHBondContact O-N 3.47Å | ||
| 785 | G | 87.7 | Confident | 94.7 | Very high | 4 Ų | 4 | 12.4 Ų | 12.4 | 4% | 0.041 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -86.1 | -5.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A720 A873 G874 | A720-G785 PolarHBondContact O-N 3.43Å; G785-A873 PolarHBondContact O-N 3.36Å; G785-G874 PolarHBondContact O-N 3.22Å |
| 786 | D | 89.8 | Confident | 94.7 | Very high | 11 Ų | 11 | 11.5 Ų | 11.5 | 6% | 0.059 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -67.9 | 160.2 | 179.8 | -82.2 | 5.9 | 0 | 0 | 0 | 112.1 | P719 A720 F788 | P719-D786 WeakPolarHBondContact CB-OD2 3.45Å; A720-D786 VanDerWaalsContact CB-OD1 3.32Å; A720-D786 WeakPolarHBondContact CB-OD1 3.34Å; D786-F788 VanDerWaalsContact C-N 3.33Å; D786-F788 PolarHBondContact O-N 3.32Å |
| 787 | R | 89.4 | Confident | 94.7 | Very high | 82 Ų | 82 | 11.5 Ų | 11.5 | 31% | 0.309 | 6% | 0.056 | S | C | . | . | S | Bend | trans | -63.1 | -39 | -179.1 | -171.8 | -179.4 | -177.1 | -166.9 | -3.1 | 112.7 | T121 E699 P789 | T121-R787 PolarHBondContact OG1-NH1 3.36Å; E699-R787 VanDerWaalsContact CD-CD 3.49Å; E699-R787 HydrophobicContact CG-CB 4.37Å; E699-R787 WeakPolarHBondContact OE1-CD 3.2Å; E699-R787 IonicContact OE1-NH1 3.15Å; E699-R787 VanDerWaalsContact OE2-CD 3.29Å; E699-R787 WeakPolarHBondContact OE2-CD 3.23Å; E699-R787 IonicContact OE2-CZ 3.18Å; E699-R787 IonicContact OE2-NE 2.64Å; E699-R787 IonicContact OE2-NH1 2.73Å; E699-R787 PolarHBondContact OE2-NH1 3.12Å; R787-P789 WeakPolarHBondContact O-CD 3.47Å |
| 788 | F | 92.4 | Very high | 94.6 | Very high | 16 Ų | 16 | 13.7 Ų | 13.7 | 7% | 0.07 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -119.1 | 78 | 180 | -55.6 | -55.8 | 0 | 0 | 0 | 109.4 | R123 E699 T702 R703 I706 D786 | R123-F788 HydrophobicContact CB-CD1 3.79Å; R123-F788 HydrophobicContact CB-CE1 4Å; R123-F788 HydrophobicContact CG-CD1 4.13Å; E699-F788 HydrophobicContact CB-CD2 4.08Å; E699-F788 HydrophobicContact CB-CE2 4.03Å; E699-F788 HydrophobicContact CG-CD2 4.46Å; E699-F788 HydrophobicContact CG-CE2 4.4Å; T702-F788 WeakPolarHBondContact CG2-O 3.41Å; R703-F788 HydrophobicContact CG-CD2 3.7Å; R703-F788 HydrophobicContact CG-CE2 4.09Å; R703-F788 HydrophobicContact CG-CG 4.24Å; I706-F788 HydrophobicContact CD1-CB 4.01Å; D786-F788 VanDerWaalsContact C-N 3.33Å; D786-F788 PolarHBondContact O-N 3.32Å |
| 789 | P | 94.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -62 | 143.3 | 177.6 | 28.5 | -35.6 | 0 | 0 | 0 | 109.6 | R123 I783 R787 S791 | R123-P789 PolarHBondContact NH1-O 3.37Å; R123-P789 PolarHBondContact NH2-O 3.03Å; I783-P789 HydrophobicContact CB-CB 4.17Å; I783-P789 HydrophobicContact CD1-CB 4.38Å; I783-P789 HydrophobicContact CD1-CG 4.03Å; I783-P789 HydrophobicContact CG1-CB 4.28Å; I783-P789 HydrophobicContact CG1-CG 4.46Å; I783-P789 WeakPolarHBondContact O-CB 3.49Å; R787-P789 WeakPolarHBondContact O-CD 3.47Å; P789-S791 VanDerWaalsContact C-N 3.27Å; P789-S791 WeakPolarHBondContact CB-O 3.45Å; P789-S791 PolarHBondContact O-N 2.81Å | ||
| 790 | G | 94.6 | Very high | 94.3 | Very high | 9 Ų | 9 | 13.8 Ų | 13.8 | 9% | 0.093 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -54.4 | -43.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R123 L716 G718 | R123-G790 PolarHBondContact NH2-O 3.42Å; L716-G790 CarbonylContact O-C 3.59Å; G718-G790 VanDerWaalsContact O-CA 3.3Å; G718-G790 WeakPolarHBondContact O-CA 3.43Å; G718-G790 PolarHBondContact O-N 2.8Å |
| 791 | S | 94.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.007 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -117.4 | 150.2 | 167.1 | 56.9 | 0 | 0 | 0 | 0 | 110.3 | L716 P789 H796 | L716-S791 VanDerWaalsContact O-CB 3.29Å; L716-S791 WeakPolarHBondContact O-CB 3.5Å; L716-S791 PolarHBondContact O-N 2.83Å; L716-S791 PolarHBondContact O-OG 3.27Å; P789-S791 VanDerWaalsContact C-N 3.27Å; P789-S791 WeakPolarHBondContact CB-O 3.45Å; P789-S791 PolarHBondContact O-N 2.81Å; S791-H796 VanDerWaalsContact CB-NE2 3.34Å; S791-H796 WeakPolarHBondContact CB-NE2 3.33Å; S791-H796 PolarHBondContact OG-CE1 2.92Å; S791-H796 PolarHBondContact OG-NE2 3.36Å |
| 792 | T | 95.1 | Very high | 94 | Very high | 15 Ų | 15 | 20.5 Ų | 20.5 | 9% | 0.092 | 10% | 0.103 | C | C | . | . | trans | -107.7 | 173 | -175.1 | 63.3 | 0 | 0 | 0 | 0 | 111.3 | I794 D795 H796 | T792-I794 VanDerWaalsContact C-N 3.31Å; T792-I794 PolarHBondContact O-N 2.93Å; T792-I794 WeakPolarHBondContact OG1-CG2 3.16Å; T792-D795 PolarHBondContact N-OD2 3.33Å; T792-D795 PolarHBondContact O-N 3.47Å; T792-D795 VanDerWaalsContact OG1-CG 3.28Å; T792-D795 PolarHBondContact OG1-OD2 2.75Å; T792-H796 PolarHBondContact O-CD2 2.87Å; T792-H796 VanDerWaalsContact O-CD2 3.25Å; T792-H796 PolarHBondContact O-N 3.38Å | ||
| 793 | F | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -52.4 | -47.6 | 175.7 | -70.9 | -59.6 | 0 | 0 | 0 | 112.8 | V756 R758 I783 D795 H796 I797 V811 L812 E819 E820 I823 | V756-F793 HydrophobicContact CB-CD1 4.18Å; V756-F793 HydrophobicContact CG1-CD1 3.67Å; V756-F793 HydrophobicContact CG1-CE1 4.34Å; V756-F793 HydrophobicContact CG2-CD1 3.6Å; V756-F793 HydrophobicContact CG2-CE1 4.06Å; R758-F793 HydrophobicContact CG-CE2 4.26Å; R758-F793 HydrophobicContact CG-CZ 3.77Å; I783-F793 HydrophobicContact CD1-CD1 4.03Å; I783-F793 HydrophobicContact CD1-CD2 4.19Å; I783-F793 HydrophobicContact CD1-CE1 3.94Å; I783-F793 HydrophobicContact CD1-CE2 4.11Å; I783-F793 HydrophobicContact CD1-CG 4.15Å; I783-F793 HydrophobicContact CD1-CZ 3.98Å; F793-D795 VanDerWaalsContact C-N 3.31Å; F793-D795 PolarHBondContact O-N 2.96Å; F793-H796 PolarHBondContact O-N 2.9Å; F793-I797 HydrophobicContact CB-CD1 4.22Å; F793-I797 WeakPolarHBondContact O-CD1 3.09Å; F793-I797 WeakPolarHBondContact O-CG1 3.46Å; F793-I797 PolarHBondContact O-N 2.94Å; F793-V811 HydrophobicContact CD1-CG1 4.04Å; F793-V811 HydrophobicContact CE1-CG1 4.16Å; F793-V811 HydrophobicContact CG-CG1 4.47Å; F793-L812 WeakPolarHBondContact CZ-O 3.5Å; F793-E819 HydrophobicContact CD2-CB 4.15Å; F793-E820 HydrophobicContact CD2-CG 4.4Å; F793-E820 HydrophobicContact CE2-CG 4.34Å; F793-I823 HydrophobicContact CB-CD1 4.04Å; F793-I823 HydrophobicContact CB-CG1 4.48Å |
| 794 | I | 95.2 | Very high | 93.6 | Very high | 31 Ų | 31 | 27.5 Ų | 27.5 | 16% | 0.159 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.6 | -35.8 | -176.4 | -168.2 | 61.8 | 0 | 0 | 0 | 112.1 | T792 H796 I797 L798 A822 A826 I832 | T792-I794 VanDerWaalsContact C-N 3.31Å; T792-I794 PolarHBondContact O-N 2.93Å; T792-I794 WeakPolarHBondContact OG1-CG2 3.16Å; I794-H796 VanDerWaalsContact C-N 3.28Å; I794-H796 PolarHBondContact O-N 3.48Å; I794-I797 PolarHBondContact O-N 3.46Å; I794-L798 HydrophobicContact CD1-CD1 4.37Å; I794-L798 HydrophobicContact CD1-CD2 4.35Å; I794-L798 HydrophobicContact CD1-CG 4.02Å; I794-L798 HydrophobicContact CG1-CD1 3.96Å; I794-L798 HydrophobicContact CG1-CG 4.09Å; I794-L798 WeakPolarHBondContact O-CB 3.38Å; I794-L798 VanDerWaalsContact O-CG 3.3Å; I794-L798 WeakPolarHBondContact O-CG 3.09Å; I794-L798 PolarHBondContact O-N 3.07Å; I794-A822 HydrophobicContact CB-CB 4.37Å; I794-A822 HydrophobicContact CG2-CB 4.41Å; I794-A826 HydrophobicContact CD1-CB 3.64Å; I794-I832 HydrophobicContact CD1-CD1 3.92Å |
| 795 | D | 93.8 | Very high | 93.6 | Very high | 42 Ų | 42 | 32 Ų | 32 | 23% | 0.225 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.9 | -39.8 | 178.2 | -59.7 | -42.6 | 0 | 0 | 0 | 111.3 | T792 F793 R799 | T792-D795 PolarHBondContact N-OD2 3.33Å; T792-D795 PolarHBondContact O-N 3.47Å; T792-D795 VanDerWaalsContact OG1-CG 3.28Å; T792-D795 PolarHBondContact OG1-OD2 2.75Å; F793-D795 VanDerWaalsContact C-N 3.31Å; F793-D795 PolarHBondContact O-N 2.96Å; D795-R799 WeakPolarHBondContact O-CG 3.09Å |
| 796 | H | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -80.6 | -38.8 | 177.7 | -63.4 | -74.7 | 0 | 0 | 0 | 112.8 | V756 I783 S791 T792 F793 I794 L798 R799 Y800 | V756-H796 HydrophobicContact CB-CB 4.34Å; V756-H796 HydrophobicContact CG2-CB 4.12Å; I783-H796 VanDerWaalsContact CG2-CD2 3.47Å; I783-H796 WeakPolarHBondContact CG2-CD2 3.39Å; S791-H796 VanDerWaalsContact CB-NE2 3.34Å; S791-H796 WeakPolarHBondContact CB-NE2 3.33Å; S791-H796 PolarHBondContact OG-CE1 2.92Å; S791-H796 PolarHBondContact OG-NE2 3.36Å; T792-H796 PolarHBondContact O-CD2 2.87Å; T792-H796 VanDerWaalsContact O-CD2 3.25Å; T792-H796 PolarHBondContact O-N 3.38Å; F793-H796 PolarHBondContact O-N 2.9Å; I794-H796 VanDerWaalsContact C-N 3.28Å; I794-H796 PolarHBondContact O-N 3.48Å; H796-L798 VanDerWaalsContact C-N 3.32Å; H796-L798 PolarHBondContact O-N 3.17Å; H796-R799 PolarHBondContact ND1-NE 2.74Å; H796-R799 PolarHBondContact ND1-NH2 3.16Å; H796-R799 WeakPolarHBondContact O-CB 3.41Å; H796-R799 PolarHBondContact O-N 2.99Å; H796-Y800 HydrophobicContact CB-CE2 3.92Å; H796-Y800 VanDerWaalsContact O-CD2 3.24Å; H796-Y800 WeakPolarHBondContact O-CD2 3.43Å; H796-Y800 PolarHBondContact O-N 2.76Å |
| 797 | I | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -40.1 | 179.2 | -68 | 165.3 | 0 | 0 | 0 | 110.9 | V756 F793 I794 R799 Y800 E801 I809 V811 I823 I832 | V756-I797 HydrophobicContact CG1-CD1 4.28Å; V756-I797 HydrophobicContact CG1-CG1 3.99Å; F793-I797 HydrophobicContact CB-CD1 4.22Å; F793-I797 WeakPolarHBondContact O-CD1 3.09Å; F793-I797 WeakPolarHBondContact O-CG1 3.46Å; F793-I797 PolarHBondContact O-N 2.94Å; I794-I797 PolarHBondContact O-N 3.46Å; I797-R799 PolarHBondContact O-N 3.05Å; I797-Y800 CarbonylContact O-C 3.59Å; I797-Y800 WeakPolarHBondContact O-CB 3.4Å; I797-Y800 PolarHBondContact O-N 3.5Å; I797-Y800 VanDerWaalsContact O-N 3.13Å; I797-E801 WeakPolarHBondContact O-CB 3.4Å; I797-E801 PolarHBondContact O-N 3.17Å; I797-I809 HydrophobicContact CG1-CG2 4.24Å; I797-I809 HydrophobicContact CG2-CD1 3.99Å; I797-V811 HydrophobicContact CD1-CG2 3.72Å; I797-V811 HydrophobicContact CG1-CG2 4.3Å; I797-I823 HydrophobicContact CD1-CD1 3.55Å; I797-I823 HydrophobicContact CD1-CG1 3.74Å; I797-I823 HydrophobicContact CD1-CG2 4.21Å; I797-I832 HydrophobicContact CG2-CD1 3.43Å; I797-I832 VanDerWaalsContact CG2-CD1 3.43Å; I797-I832 HydrophobicContact CG2-CG1 4Å; I797-I832 HydrophobicContact CG2-CG2 4.43Å |
| 798 | L | 94.9 | Very high | 94.6 | Very high | 47 Ų | 47 | 28.5 Ų | 28.5 | 25% | 0.246 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.7 | -38.1 | 175.5 | -69.2 | 174.9 | 0 | 0 | 0 | 112.3 | I794 H796 Y800 E801 N802 I832 | I794-L798 HydrophobicContact CD1-CD1 4.37Å; I794-L798 HydrophobicContact CD1-CD2 4.35Å; I794-L798 HydrophobicContact CD1-CG 4.02Å; I794-L798 HydrophobicContact CG1-CD1 3.96Å; I794-L798 HydrophobicContact CG1-CG 4.09Å; I794-L798 WeakPolarHBondContact O-CB 3.38Å; I794-L798 VanDerWaalsContact O-CG 3.3Å; I794-L798 WeakPolarHBondContact O-CG 3.09Å; I794-L798 PolarHBondContact O-N 3.07Å; H796-L798 VanDerWaalsContact C-N 3.32Å; H796-L798 PolarHBondContact O-N 3.17Å; L798-Y800 VanDerWaalsContact C-N 3.3Å; L798-Y800 PolarHBondContact O-N 3.25Å; L798-E801 PolarHBondContact O-N 2.71Å; L798-N802 WeakPolarHBondContact O-CB 3.47Å; L798-N802 VanDerWaalsContact O-CG 3.25Å; L798-N802 PolarHBondContact O-N 3.28Å; L798-N802 PolarHBondContact O-ND2 2.77Å; L798-I832 HydrophobicContact CD2-CG1 4.37Å |
| 799 | R | 94.2 | Very high | 94.9 | Very high | 30 Ų | 30 | 27.7 Ų | 27.7 | 11% | 0.113 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.3 | -38.2 | 171.5 | -65.9 | 179.1 | -44.4 | 104.1 | 15.4 | 111.7 | E779 D795 H796 I797 N803 | E779-R799 IonicContact OE1-CZ 3.97Å; E779-R799 VanDerWaalsContact OE1-CZ 3.32Å; E779-R799 IonicContact OE1-NH1 3.28Å; E779-R799 PolarHBondContact OE1-NH1 3.29Å; E779-R799 IonicContact OE1-NH2 3.18Å; E779-R799 PolarHBondContact OE1-NH2 3.37Å; E779-R799 IonicContact OE2-NH1 2.76Å; D795-R799 WeakPolarHBondContact O-CG 3.09Å; H796-R799 PolarHBondContact ND1-NE 2.74Å; H796-R799 PolarHBondContact ND1-NH2 3.16Å; H796-R799 WeakPolarHBondContact O-CB 3.41Å; H796-R799 PolarHBondContact O-N 2.99Å; I797-R799 PolarHBondContact O-N 3.05Å; R799-N803 WeakPolarHBondContact O-CB 3.36Å; R799-N803 PolarHBondContact O-N 2.8Å |
| 800 | Y | 95.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.4 | -39.7 | 178.3 | -59.7 | -27.1 | 0 | 0 | 0 | 112.3 | A754 Y755 V756 E779 V781 H796 I797 L798 N803 I806 I809 K834 | A754-Y800 HydrophobicContact CB-CD1 3.79Å; A754-Y800 HydrophobicContact CB-CD2 3.77Å; A754-Y800 HydrophobicContact CB-CE1 4.02Å; A754-Y800 HydrophobicContact CB-CE2 4.02Å; A754-Y800 HydrophobicContact CB-CG 3.66Å; Y755-Y800 PolarHBondContact O-OH 3.27Å; V756-Y800 HydrophobicContact CB-CE2 4.21Å; E779-Y800 HydrophobicContact CB-CE1 4.07Å; E779-Y800 HydrophobicContact CG-CE1 3.99Å; V781-Y800 WeakPolarHBondContact CG2-OH 3.14Å; H796-Y800 HydrophobicContact CB-CE2 3.92Å; H796-Y800 VanDerWaalsContact O-CD2 3.24Å; H796-Y800 WeakPolarHBondContact O-CD2 3.43Å; H796-Y800 PolarHBondContact O-N 2.76Å; I797-Y800 CarbonylContact O-C 3.59Å; I797-Y800 WeakPolarHBondContact O-CB 3.4Å; I797-Y800 PolarHBondContact O-N 3.5Å; I797-Y800 VanDerWaalsContact O-N 3.13Å; L798-Y800 VanDerWaalsContact C-N 3.3Å; L798-Y800 PolarHBondContact O-N 3.25Å; Y800-N803 PolarHBondContact O-N 3.38Å; Y800-I806 HydrophobicContact CD1-CD1 3.53Å; Y800-I806 HydrophobicContact CE1-CD1 4.44Å; Y800-I806 HydrophobicContact CG-CD1 3.96Å; Y800-I809 HydrophobicContact CD2-CG2 4.13Å; Y800-K834 PolarHBondContact O-NZ 3.14Å |
| 801 | E | 95.3 | Very high | 95.3 | Very high | 29 Ų | 29 | 27.5 Ų | 27.5 | 14% | 0.136 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.2 | -47.9 | 172.9 | -179.4 | 64.9 | -170.7 | 0 | 0 | 110.7 | I797 L798 N803 K833 K834 | I797-E801 WeakPolarHBondContact O-CB 3.4Å; I797-E801 PolarHBondContact O-N 3.17Å; L798-E801 PolarHBondContact O-N 2.71Å; E801-N803 PolarHBondContact O-N 3.05Å; E801-K833 WeakPolarHBondContact OE1-CB 3.24Å; E801-K833 PolarHBondContact OE1-N 3.48Å; E801-K833 PolarHBondContact OE2-N 2.66Å; E801-K834 WeakPolarHBondContact O-CE 3.21Å; E801-K834 PolarHBondContact O-NZ 3.38Å; E801-K834 VanDerWaalsContact OE2-CB 3.31Å; E801-K834 WeakPolarHBondContact OE2-CB 3.47Å; E801-K834 WeakPolarHBondContact OE2-CG 3.13Å; E801-K834 PolarHBondContact OE2-N 2.88Å; E801-K834 VanDerWaalsContact OE2-N 3.11Å |
| 802 | N | 93.2 | Very high | 95.4 | Very high | 112 Ų | 112 | 27.5 Ų | 27.5 | 60% | 0.599 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -71.1 | -12.9 | -177.9 | -69.5 | -19.5 | 0 | 0 | 0 | 114.4 | L798 P804 | L798-N802 WeakPolarHBondContact O-CB 3.47Å; L798-N802 VanDerWaalsContact O-CG 3.25Å; L798-N802 PolarHBondContact O-N 3.28Å; L798-N802 PolarHBondContact O-ND2 2.77Å; N802-P804 WeakPolarHBondContact O-CD 3.34Å |
| 803 | N | 93 | Very high | 95.3 | Very high | 30 Ų | 30 | 26.9 Ų | 26.9 | 16% | 0.16 | 15% | 0.148 | C | C | . | . | trans | -95.2 | 111.6 | -179 | -176.9 | -11.4 | 0 | 0 | 0 | 111.5 | Y778 R799 Y800 E801 E805 I806 K834 | Y778-N803 WeakPolarHBondContact CE1-ND2 3.46Å; Y778-N803 PolarHBondContact OH-ND2 3.17Å; Y778-N803 VanDerWaalsContact OH-ND2 3.17Å; R799-N803 WeakPolarHBondContact O-CB 3.36Å; R799-N803 PolarHBondContact O-N 2.8Å; Y800-N803 PolarHBondContact O-N 3.38Å; E801-N803 PolarHBondContact O-N 3.05Å; N803-E805 PolarHBondContact O-N 3.43Å; N803-E805 VanDerWaalsContact O-N 3.09Å; N803-E805 WeakPolarHBondContact OD1-CB 3.28Å; N803-E805 PolarHBondContact OD1-N 2.76Å; N803-I806 HydrophobicContact CB-CD1 4.03Å; N803-I806 HydrophobicContact CB-CG1 4.46Å; N803-I806 PolarHBondContact O-N 3.03Å; N803-K834 PolarHBondContact O-NZ 3.49Å | ||
| 804 | P | 92.9 | Very high | 95.2 | Very high | 117 Ų | 117 | 27 Ų | 27 | 76% | 0.76 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -18.5 | -175.8 | 26.9 | -35.6 | 0 | 0 | 0 | 114.2 | N802 I806 | N802-P804 WeakPolarHBondContact O-CD 3.34Å; P804-I806 VanDerWaalsContact C-N 3.26Å; P804-I806 PolarHBondContact O-N 3.17Å |
| 805 | E | 92.9 | Very high | 94.9 | Very high | 96 Ų | 96 | 25.8 Ų | 25.8 | 45% | 0.449 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -11.2 | 179.7 | -67.4 | -66.1 | 137.9 | 0 | 0 | 114.4 | Y778 N803 K925 | Y778-E805 HydrophobicContact CD2-CB 4.03Å; Y778-E805 HydrophobicContact CE2-CB 3.32Å; Y778-E805 HydrophobicContact CE2-CG 4.04Å; N803-E805 PolarHBondContact O-N 3.43Å; N803-E805 VanDerWaalsContact O-N 3.09Å; N803-E805 WeakPolarHBondContact OD1-CB 3.28Å; N803-E805 PolarHBondContact OD1-N 2.76Å; E805-K925 PolarHBondContact O-NZ 2.78Å; E805-K925 VanDerWaalsContact O-NZ 3.1Å; E805-K925 WeakPolarHBondContact OE2-CE 3.4Å; E805-K925 IonicContact OE2-NZ 3.68Å; E805-K925 PolarHBondContact OE2-NZ 3.42Å |
| 806 | I | 95 | Very high | 94.5 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.015 | 13% | 0.133 | C | C | . | . | trans | -99.4 | 121.2 | 178.3 | -66.3 | 168.2 | 0 | 0 | 0 | 108.3 | A754 Y778 Y800 N803 P804 M808 I809 K834 | A754-I806 HydrophobicContact CB-CD1 3.6Å; A754-I806 HydrophobicContact CB-CG1 4.02Å; A754-I806 HydrophobicContact CB-CG2 3.76Å; Y778-I806 HydrophobicContact CD1-CD1 3.73Å; Y778-I806 HydrophobicContact CD1-CG1 3.53Å; Y778-I806 HydrophobicContact CE1-CD1 4.14Å; Y778-I806 HydrophobicContact CE1-CG1 4.08Å; Y778-I806 HydrophobicContact CG-CD1 4.49Å; Y778-I806 HydrophobicContact CG-CG1 3.83Å; Y800-I806 HydrophobicContact CD1-CD1 3.53Å; Y800-I806 HydrophobicContact CE1-CD1 4.44Å; Y800-I806 HydrophobicContact CG-CD1 3.96Å; N803-I806 HydrophobicContact CB-CD1 4.03Å; N803-I806 HydrophobicContact CB-CG1 4.46Å; N803-I806 PolarHBondContact O-N 3.03Å; P804-I806 VanDerWaalsContact C-N 3.26Å; P804-I806 PolarHBondContact O-N 3.17Å; I806-M808 WeakPolarHBondContact CG2-O 3.45Å; I806-I809 HydrophobicContact CG2-CG1 4.26Å; I806-K834 WeakPolarHBondContact O-CD 3.35Å; I806-K834 VanDerWaalsContact O-CE 3.29Å; I806-K834 WeakPolarHBondContact O-CE 3.26Å; I806-K834 PolarHBondContact O-NZ 3.43Å | ||
| 807 | G | 95.2 | Very high | 94 | Very high | 19 Ų | 19 | 25.2 Ų | 25.2 | 20% | 0.196 | 15% | 0.147 | C | C | . | . | trans | -97.5 | -25.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S752 | S752-G807 PolarHBondContact O-N 3.19Š| ||
| 808 | M | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 158.9 | 175 | 64.9 | 179.8 | -67.3 | 0 | 0 | 112.1 | V753 A754 I806 V810 V837 I909 V912 F913 L916 | V753-M808 HydrophobicContact CB-CG 4.27Å; V753-M808 HydrophobicContact CG1-CG 4.11Å; V753-M808 HydrophobicContact CG2-CG 3.72Å; V753-M808 HydrophobicContact CG2-SD 3.91Å; A754-M808 PolarHBondContact N-O 3.03Å; I806-M808 WeakPolarHBondContact CG2-O 3.45Å; M808-V810 HydrophobicContact CE-CG2 4.49Å; M808-V837 HydrophobicContact CE-CG2 3.76Å; M808-I909 HydrophobicContact CE-CG2 4.41Å; M808-V912 HydrophobicContact CE-CB 4.05Å; M808-V912 HydrophobicContact CE-CG1 3.77Å; M808-V912 HydrophobicContact SD-CG1 4.36Å; M808-F913 HydrophobicContact SD-CB 3.94Å; M808-F913 HydrophobicContact SD-CD2 4.1Å; M808-L916 HydrophobicContact CB-CD1 3.82Å; M808-L916 HydrophobicContact CG-CD1 4.38Å; M808-L916 HydrophobicContact SD-CD1 4.29Å |
| 809 | I | 98.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.2 | -175.1 | -56.7 | 173.6 | 0 | 0 | 0 | 110.1 | A754 I797 Y800 I806 V811 K834 P835 I836 V837 | A754-I809 CarbonylContact O-C 3.39Å; A754-I809 WeakPolarHBondContact O-CA 3.33Å; I797-I809 HydrophobicContact CG1-CG2 4.24Å; I797-I809 HydrophobicContact CG2-CD1 3.99Å; Y800-I809 HydrophobicContact CD2-CG2 4.13Å; I806-I809 HydrophobicContact CG2-CG1 4.26Å; I809-V811 HydrophobicContact CG2-CG2 4.16Å; I809-K834 HydrophobicContact CD1-CB 4.45Å; I809-P835 PolarHBondContact N-O 3.2Å; I809-I836 HydrophobicContact CB-CG1 4.41Å; I809-I836 CarbonylContact O-C 3.57Å; I809-I836 WeakPolarHBondContact O-CA 3.4Å; I809-V837 PolarHBondContact O-N 3.03Å |
| 810 | V | 98.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 128 | 173.8 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | V753 A754 Y755 V756 L766 I770 M808 V837 I909 | V753-V810 HydrophobicContact CG1-CG2 3.7Å; A754-V810 PolarHBondContact O-N 3.05Å; Y755-V810 CarbonylContact C-O 3.59Å; Y755-V810 WeakPolarHBondContact CA-O 3.44Å; Y755-V810 WeakPolarHBondContact CB-O 3.4Å; V756-V810 PolarHBondContact N-O 3.31Å; L766-V810 HydrophobicContact CD2-CG1 4.12Å; I770-V810 HydrophobicContact CD1-CG2 4.37Å; M808-V810 HydrophobicContact CE-CG2 4.49Å; V810-V837 CarbonylContact C-O 3.46Å; V810-V837 VanDerWaalsContact CA-O 3.28Å; V810-V837 WeakPolarHBondContact CA-O 3.22Å; V810-V837 HydrophobicContact CG2-CB 4.45Å; V810-I909 HydrophobicContact CG1-CD1 4.21Å; V810-I909 HydrophobicContact CG2-CD1 4.12Å; V810-I909 HydrophobicContact CG2-CG1 4.15Å |
| 811 | V | 97.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.1 | -179.7 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | V756 F793 I797 I809 I823 I836 V837 A838 W839 | V756-V811 HydrophobicContact CG1-CG1 4.37Å; V756-V811 HydrophobicContact CG1-CG2 4.01Å; F793-V811 HydrophobicContact CD1-CG1 4.04Å; F793-V811 HydrophobicContact CE1-CG1 4.16Å; F793-V811 HydrophobicContact CG-CG1 4.47Å; I797-V811 HydrophobicContact CD1-CG2 3.72Å; I797-V811 HydrophobicContact CG1-CG2 4.3Å; I809-V811 HydrophobicContact CG2-CG2 4.16Å; V811-I823 HydrophobicContact CG1-CD1 4.03Å; V811-I823 HydrophobicContact CG2-CD1 4.5Å; V811-I836 HydrophobicContact CG2-CG2 3.84Å; V811-V837 PolarHBondContact N-O 2.93Å; V811-A838 HydrophobicContact CB-CB 4.02Å; V811-A838 VanDerWaalsContact O-CA 3.28Å; V811-A838 WeakPolarHBondContact O-CA 3.39Å; V811-W839 PolarHBondContact O-N 3.37Å |
| 812 | L | 97 | Very high | 93.4 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 94.1 | 171.9 | -165.4 | 72.2 | 0 | 0 | 0 | 109.6 | V756 R758 M762 L766 F793 W839 I841 F902 L905 | V756-L812 PolarHBondContact O-N 2.89Å; R758-L812 PolarHBondContact N-O 3.02Å; M762-L812 HydrophobicContact CB-CD2 3.4Å; M762-L812 HydrophobicContact CE-CD2 4.47Å; M762-L812 HydrophobicContact CG-CD2 4Å; L766-L812 HydrophobicContact CD1-CB 4.03Å; L766-L812 HydrophobicContact CD1-CD2 4.23Å; F793-L812 WeakPolarHBondContact CZ-O 3.5Å; L812-W839 CarbonylContact C-O 3.59Å; L812-W839 WeakPolarHBondContact CA-O 3.5Å; L812-W839 HydrophobicContact CD1-CB 4.34Å; L812-I841 HydrophobicContact CD1-CG2 4.01Å; L812-I841 HydrophobicContact CG-CG2 4.45Å; L812-F902 HydrophobicContact CD1-CD2 4.25Å; L812-F902 HydrophobicContact CD1-CE2 3.93Å; L812-L905 HydrophobicContact CD1-CD2 4.48Å |
| 813 | G | 94.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 179.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | W839 C840 I841 | G813-W839 PolarHBondContact N-O 3.12Å; G813-C840 WeakPolarHBondContact O-CA 3.44Å; G813-I841 PolarHBondContact O-N 3.46Å; G813-I841 VanDerWaalsContact O-N 3.09Å |
| 814 | E | 91.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.009 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 159.8 | -179 | -170.5 | 168.1 | -158.3 | 0 | 0 | 110.6 | E820 I841 H872 A875 K887 | E814-E820 PolarHBondContact N-OE1 3.23Å; E814-I841 CarbonylContact C-O 3.58Å; E814-I841 HydrophobicContact CB-CG1 4.15Å; E814-I841 HydrophobicContact CG-CD1 4.32Å; E814-I841 HydrophobicContact CG-CG1 3.89Å; E814-H872 IonicContact OE1-CE1 3.57Å; E814-H872 IonicContact OE1-CG 2.63Å; E814-H872 IonicContact OE1-ND1 3.59Å; E814-H872 PolarHBondContact OE1-ND1 2.79Å; E814-H872 IonicContact OE2-CE1 3.5Å; E814-H872 IonicContact OE2-CG 2.63Å; E814-H872 IonicContact OE2-ND1 3.46Å; E814-H872 PolarHBondContact OE2-ND1 3.03Å; E814-A875 HydrophobicContact CG-CB 4.13Å; E814-A875 WeakPolarHBondContact OE1-CB 3.18Å; E814-K887 PolarHBondContact O-NZ 3.04Å |
| 815 | V | 89.7 | Confident | 93.7 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 4% | 0.036 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -57 | 147.1 | 165.9 | 63.3 | 0 | 0 | 0 | 0 | 111.5 | I841 F870 A875 A877 A884 | V815-I841 PolarHBondContact N-O 2.9Å; V815-F870 HydrophobicContact CG1-CD2 3.48Å; V815-F870 VanDerWaalsContact CG1-CD2 3.48Å; V815-F870 HydrophobicContact CG1-CE2 3.7Å; V815-A875 HydrophobicContact CG1-CB 4.15Å; V815-A875 WeakPolarHBondContact O-CA 3.48Å; V815-A877 HydrophobicContact CG2-CB 3.81Å; V815-A884 HydrophobicContact CB-CB 4.3Å |
| 816 | G | 84.8 | Confident | 93.8 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 90 | 144.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | C876 E882 K887 | G816-C876 VanDerWaalsContact CA-O 3.3Å; G816-C876 WeakPolarHBondContact CA-O 3.47Å; G816-E882 PolarHBondContact N-O 2.97Å; G816-K887 PolarHBondContact O-NZ 3.06Å |
| 817 | G | 85.2 | Confident | 93.9 | Very high | 29 Ų | 29 | 20.4 Ų | 20.4 | 30% | 0.299 | 12% | 0.124 | S | C | . | . | S | Bend | trans | 68.1 | 178 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K887 | G817-K887 WeakPolarHBondContact O-CE 3.24Å; G817-K887 PolarHBondContact O-NZ 3.07Å |
| 818 | V | 90.1 | Very high | 93.9 | Very high | 74 Ų | 74 | 25.5 Ų | 25.5 | 45% | 0.448 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -131.3 | 20.1 | -173.2 | -65.2 | 0 | 0 | 0 | 0 | 112.5 | E820 Y821 E882 | V818-E820 VanDerWaalsContact C-N 3.29Å; V818-E820 PolarHBondContact O-N 3.34Å; V818-Y821 HydrophobicContact CB-CD2 3.83Å; V818-Y821 HydrophobicContact CB-CE2 4.38Å; V818-Y821 HydrophobicContact CG1-CD2 4.24Å; V818-Y821 HydrophobicContact CG1-CE2 4.32Å; V818-Y821 PolarHBondContact O-N 2.7Å; V818-E882 HydrophobicContact CG1-CG 4.12Å |
| 819 | E | 89.7 | Confident | 93.8 | Very high | 33 Ų | 33 | 29 Ų | 29 | 15% | 0.154 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -33.9 | -174.4 | -67.3 | 179.1 | 165.1 | 0 | 0 | 112.5 | R758 F793 Y821 A822 | R758-E819 IonicContact CZ-OE2 2.87Å; R758-E819 IonicContact NE-OE2 3.46Å; R758-E819 IonicContact NH2-OE1 3.56Å; R758-E819 PolarHBondContact NH2-OE1 3.2Å; R758-E819 IonicContact NH2-OE2 3.46Å; R758-E819 PolarHBondContact NH2-OE2 3.09Å; F793-E819 HydrophobicContact CD2-CB 4.15Å; E819-Y821 PolarHBondContact O-N 3.46Å; E819-A822 WeakPolarHBondContact O-CB 3.44Å; E819-A822 PolarHBondContact O-N 3.33Å; E819-A822 VanDerWaalsContact O-N 3.08Å |
| 820 | E | 94.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.6 | -26.2 | 179.3 | -63.5 | 87 | 165.6 | 0 | 0 | 112.5 | F793 E814 V818 A822 I823 I824 K887 | F793-E820 HydrophobicContact CD2-CG 4.4Å; F793-E820 HydrophobicContact CE2-CG 4.34Å; E814-E820 PolarHBondContact N-OE1 3.23Å; V818-E820 VanDerWaalsContact C-N 3.29Å; V818-E820 PolarHBondContact O-N 3.34Å; E820-A822 VanDerWaalsContact C-N 3.26Å; E820-A822 PolarHBondContact O-N 3.09Å; E820-I823 VanDerWaalsContact O-CB 3.27Å; E820-I823 WeakPolarHBondContact O-CB 3.45Å; E820-I823 PolarHBondContact O-N 2.77Å; E820-I823 VanDerWaalsContact O-N 3.11Å; E820-I824 PolarHBondContact O-N 3.1Å; E820-K887 VanDerWaalsContact CD-NZ 3.32Å; E820-K887 HydrophobicContact CG-CD 4.39Å; E820-K887 IonicContact OE1-NZ 2.91Å; E820-K887 PolarHBondContact OE1-NZ 3.24Å; E820-K887 WeakPolarHBondContact OE2-CE 3.36Å; E820-K887 IonicContact OE2-NZ 3.77Å; E820-K887 PolarHBondContact OE2-NZ 3.43Å |
| 821 | Y | 95.3 | Very high | 93.4 | Very high | 57 Ų | 57 | 35.3 Ų | 35.3 | 22% | 0.224 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68 | -25.1 | 175.5 | -67.4 | -83.8 | 0 | 0 | 0 | 112.8 | V818 E819 I823 I824 E825 Q881 K887 A890 | V818-Y821 HydrophobicContact CB-CD2 3.83Å; V818-Y821 HydrophobicContact CB-CE2 4.38Å; V818-Y821 HydrophobicContact CG1-CD2 4.24Å; V818-Y821 HydrophobicContact CG1-CE2 4.32Å; V818-Y821 PolarHBondContact O-N 2.7Å; E819-Y821 PolarHBondContact O-N 3.46Å; Y821-I823 PolarHBondContact O-N 3.28Å; Y821-I824 HydrophobicContact CD1-CD1 3.77Å; Y821-I824 HydrophobicContact CE1-CD1 4.25Å; Y821-I824 HydrophobicContact CG-CD1 4.45Å; Y821-I824 WeakPolarHBondContact O-CB 3.17Å; Y821-I824 PolarHBondContact O-N 3.45Å; Y821-E825 PolarHBondContact O-N 2.9Å; Y821-Q881 HydrophobicContact CE2-CB 4.27Å; Y821-Q881 VanDerWaalsContact CE2-O 3.31Å; Y821-Q881 WeakPolarHBondContact CE2-O 3.46Å; Y821-Q881 PolarHBondContact OH-O 2.79Å; Y821-Q881 VanDerWaalsContact OH-O 3.11Å; Y821-K887 HydrophobicContact CE2-CG 4.12Å; Y821-A890 HydrophobicContact CD1-CB 4.4Å; Y821-A890 HydrophobicContact CE1-CB 3.69Å |
| 822 | A | 94.3 | Very high | 93.2 | Very high | 42 Ų | 42 | 35.6 Ų | 35.6 | 35% | 0.347 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.2 | -31.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I794 E819 E820 A826 | I794-A822 HydrophobicContact CB-CB 4.37Å; I794-A822 HydrophobicContact CG2-CB 4.41Å; E819-A822 WeakPolarHBondContact O-CB 3.44Å; E819-A822 PolarHBondContact O-N 3.33Å; E819-A822 VanDerWaalsContact O-N 3.08Å; E820-A822 VanDerWaalsContact C-N 3.26Å; E820-A822 PolarHBondContact O-N 3.09Å; A822-A826 WeakPolarHBondContact O-CB 3.48Å; A822-A826 PolarHBondContact O-N 2.83Å |
| 823 | I | 96.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.6 | -44.1 | 173.8 | -50.4 | 173.4 | 0 | 0 | 0 | 109.5 | F793 I797 V811 E820 Y821 E825 A826 V827 I832 I836 I896 | F793-I823 HydrophobicContact CB-CD1 4.04Å; F793-I823 HydrophobicContact CB-CG1 4.48Å; I797-I823 HydrophobicContact CD1-CD1 3.55Å; I797-I823 HydrophobicContact CD1-CG1 3.74Å; I797-I823 HydrophobicContact CD1-CG2 4.21Å; V811-I823 HydrophobicContact CG1-CD1 4.03Å; V811-I823 HydrophobicContact CG2-CD1 4.5Å; E820-I823 VanDerWaalsContact O-CB 3.27Å; E820-I823 WeakPolarHBondContact O-CB 3.45Å; E820-I823 PolarHBondContact O-N 2.77Å; E820-I823 VanDerWaalsContact O-N 3.11Å; Y821-I823 PolarHBondContact O-N 3.28Å; I823-E825 PolarHBondContact O-N 2.98Å; I823-A826 PolarHBondContact O-N 3.43Å; I823-V827 HydrophobicContact CG2-CG2 4.48Å; I823-V827 WeakPolarHBondContact O-CG2 3.36Å; I823-V827 PolarHBondContact O-N 3.41Å; I823-I832 HydrophobicContact CG2-CD1 4.36Å; I823-I836 HydrophobicContact CG2-CD1 3.79Å; I823-I896 HydrophobicContact CG2-CD1 3.99Å |
| 824 | I | 95.4 | Very high | 93.2 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.7 | -48 | 178.8 | -62.7 | 176.7 | 0 | 0 | 0 | 110.6 | E820 Y821 A826 V827 K828 A890 L891 V894 | E820-I824 PolarHBondContact O-N 3.1Å; Y821-I824 HydrophobicContact CD1-CD1 3.77Å; Y821-I824 HydrophobicContact CE1-CD1 4.25Å; Y821-I824 HydrophobicContact CG-CD1 4.45Å; Y821-I824 WeakPolarHBondContact O-CB 3.17Å; Y821-I824 PolarHBondContact O-N 3.45Å; I824-A826 VanDerWaalsContact C-N 3.35Å; I824-A826 PolarHBondContact O-N 3.4Å; I824-V827 PolarHBondContact O-N 3.12Å; I824-K828 HydrophobicContact CG2-CD 4.32Å; I824-K828 WeakPolarHBondContact O-CG 3.28Å; I824-K828 PolarHBondContact O-N 3.15Å; I824-A890 VanDerWaalsContact CD1-C 3.46Å; I824-A890 HydrophobicContact CD1-CB 3.47Å; I824-A890 VanDerWaalsContact CD1-CB 3.47Å; I824-L891 HydrophobicContact CD1-CD2 4.3Å; I824-L891 HydrophobicContact CD1-CG 4.39Å; I824-L891 HydrophobicContact CG1-CD2 3.87Å; I824-L891 HydrophobicContact CG1-CG 4.46Å; I824-V894 HydrophobicContact CB-CG2 4.37Å; I824-V894 HydrophobicContact CG1-CG2 4.23Å; I824-V894 HydrophobicContact CG2-CB 4.46Å; I824-V894 HydrophobicContact CG2-CG1 3.64Å; I824-V894 HydrophobicContact CG2-CG2 4.01Å |
| 825 | E | 95.3 | Very high | 93.5 | Very high | 107 Ų | 107 | 46.8 Ų | 46.8 | 50% | 0.5 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.2 | -35 | 178.7 | -64.8 | -53.5 | 124.2 | 0 | 0 | 112.4 | Y821 I823 K828 S829 | Y821-E825 PolarHBondContact O-N 2.9Å; I823-E825 PolarHBondContact O-N 2.98Å; E825-K828 IonicContact OE1-NZ 2.83Å; E825-K828 PolarHBondContact OE1-NZ 3.22Å; E825-S829 WeakPolarHBondContact O-CB 3Å; E825-S829 PolarHBondContact O-N 3.42Å; E825-S829 PolarHBondContact O-OG 2.86Å |
| 826 | A | 94.9 | Very high | 93.9 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 7% | 0.066 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.2 | -35.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I794 A822 I823 I824 S829 G830 K831 I832 | I794-A826 HydrophobicContact CD1-CB 3.64Å; A822-A826 WeakPolarHBondContact O-CB 3.48Å; A822-A826 PolarHBondContact O-N 2.83Å; I823-A826 PolarHBondContact O-N 3.43Å; I824-A826 VanDerWaalsContact C-N 3.35Å; I824-A826 PolarHBondContact O-N 3.4Å; A826-S829 WeakPolarHBondContact CA-OG 3.22Å; A826-S829 PolarHBondContact O-OG 3.42Å; A826-S829 VanDerWaalsContact O-OG 3.14Å; A826-G830 PolarHBondContact O-N 3.44Å; A826-K831 HydrophobicContact CB-CB 4.38Å; A826-K831 WeakPolarHBondContact O-CB 3.48Å; A826-K831 PolarHBondContact O-N 3Å; A826-I832 HydrophobicContact CB-CD1 3.52Å; A826-I832 HydrophobicContact CB-CG1 4.05Å; A826-I832 PolarHBondContact O-N 2.82Å |
| 827 | V | 96 | Very high | 94.5 | Very high | 35 Ų | 35 | 46.6 Ų | 46.6 | 21% | 0.212 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.5 | -47.8 | 172.9 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | I823 I824 S829 G830 I832 I836 V894 I896 | I823-V827 HydrophobicContact CG2-CG2 4.48Å; I823-V827 WeakPolarHBondContact O-CG2 3.36Å; I823-V827 PolarHBondContact O-N 3.41Å; I824-V827 PolarHBondContact O-N 3.12Å; V827-S829 VanDerWaalsContact C-N 3.29Å; V827-S829 PolarHBondContact O-N 3.01Å; V827-G830 PolarHBondContact O-N 2.86Å; V827-I832 HydrophobicContact CG2-CB 4.21Å; V827-I832 HydrophobicContact CG2-CD1 4.39Å; V827-I836 HydrophobicContact CG2-CD1 4.13Å; V827-V894 HydrophobicContact CG1-CB 4.32Å; V827-V894 HydrophobicContact CG1-CG2 4.35Å; V827-I896 HydrophobicContact CG2-CD1 4.2Å; V827-I896 HydrophobicContact CG2-CG1 4.36Å |
| 828 | K | 95.4 | Very high | 95.1 | Very high | 126 Ų | 126 | 45.3 Ų | 45.3 | 55% | 0.548 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.1 | -38.6 | 177.9 | -73.9 | 176.4 | -173.5 | 164.3 | 0 | 113.1 | I824 E825 G830 V894 | I824-K828 HydrophobicContact CG2-CD 4.32Å; I824-K828 WeakPolarHBondContact O-CG 3.28Å; I824-K828 PolarHBondContact O-N 3.15Å; E825-K828 IonicContact OE1-NZ 2.83Å; E825-K828 PolarHBondContact OE1-NZ 3.22Å; K828-G830 PolarHBondContact O-N 2.96Å; K828-V894 HydrophobicContact CD-CG1 4.21Å; K828-V894 VanDerWaalsContact CE-CG1 3.49Å; K828-V894 HydrophobicContact CG-CG1 3.75Å |
| 829 | S | 95.1 | Very high | 95.5 | Very high | 74 Ų | 74 | 42.3 Ų | 42.3 | 52% | 0.517 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -5.9 | 177.9 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | E825 A826 V827 K831 | E825-S829 WeakPolarHBondContact O-CB 3Å; E825-S829 PolarHBondContact O-N 3.42Å; E825-S829 PolarHBondContact O-OG 2.86Å; A826-S829 WeakPolarHBondContact CA-OG 3.22Å; A826-S829 PolarHBondContact O-OG 3.42Å; A826-S829 VanDerWaalsContact O-OG 3.14Å; V827-S829 VanDerWaalsContact C-N 3.29Å; V827-S829 PolarHBondContact O-N 3.01Å; S829-K831 VanDerWaalsContact C-N 3.26Å; S829-K831 PolarHBondContact O-N 3.17Å |
| 830 | G | 94.2 | Very high | 95.8 | Very high | 36 Ų | 36 | 40.9 Ų | 40.9 | 37% | 0.371 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 13.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A826 V827 K828 I832 K833 | A826-G830 PolarHBondContact O-N 3.44Å; V827-G830 PolarHBondContact O-N 2.86Å; K828-G830 PolarHBondContact O-N 2.96Å; G830-I832 VanDerWaalsContact C-N 3.33Å; G830-K833 VanDerWaalsContact O-CE 3.26Å; G830-K833 WeakPolarHBondContact O-CE 3.46Å |
| 831 | K | 94 | Very high | 95.8 | Very high | 96 Ų | 96 | 40.9 Ų | 40.9 | 42% | 0.417 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -68.9 | -32.9 | 174 | -71.9 | -171.6 | -177.9 | -164.7 | 0 | 111.8 | E549 A826 S829 | E549-K831 IonicContact OE1-NZ 2.82Å; E549-K831 PolarHBondContact OE1-NZ 3.49Å; E549-K831 IonicContact OE2-NZ 3.93Å; E549-K831 PolarHBondContact OE2-NZ 3.09Å; A826-K831 HydrophobicContact CB-CB 4.38Å; A826-K831 WeakPolarHBondContact O-CB 3.48Å; A826-K831 PolarHBondContact O-N 3Å; S829-K831 VanDerWaalsContact C-N 3.26Å; S829-K831 PolarHBondContact O-N 3.17Å |
| 832 | I | 95.4 | Very high | 95.5 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 5% | 0.046 | 21% | 0.205 | C | C | . | . | trans | -111.6 | 126.4 | 174.1 | -58.3 | 161 | 0 | 0 | 0 | 109.2 | I794 I797 L798 I823 A826 V827 G830 I836 | I794-I832 HydrophobicContact CD1-CD1 3.92Å; I797-I832 HydrophobicContact CG2-CD1 3.43Å; I797-I832 VanDerWaalsContact CG2-CD1 3.43Å; I797-I832 HydrophobicContact CG2-CG1 4Å; I797-I832 HydrophobicContact CG2-CG2 4.43Å; L798-I832 HydrophobicContact CD2-CG1 4.37Å; I823-I832 HydrophobicContact CG2-CD1 4.36Å; A826-I832 HydrophobicContact CB-CD1 3.52Å; A826-I832 HydrophobicContact CB-CG1 4.05Å; A826-I832 PolarHBondContact O-N 2.82Å; V827-I832 HydrophobicContact CG2-CB 4.21Å; V827-I832 HydrophobicContact CG2-CD1 4.39Å; G830-I832 VanDerWaalsContact C-N 3.33Å; I832-I836 HydrophobicContact CD1-CD1 4.43Å; I832-I836 HydrophobicContact CG2-CD1 3.9Å; I832-I836 HydrophobicContact CG2-CG1 4.34Å | ||
| 833 | K | 95 | Very high | 95.3 | Very high | 172 Ų | 172 | 36.9 Ų | 36.9 | 75% | 0.748 | 19% | 0.192 | S | C | * | . | trans | -119.5 | -21.3 | -178.5 | -59.1 | 173.6 | -172.7 | 171.1 | 0 | 112.6 | E801 G830 | E801-K833 WeakPolarHBondContact OE1-CB 3.24Å; E801-K833 PolarHBondContact OE1-N 3.48Å; E801-K833 PolarHBondContact OE2-N 2.66Å; G830-K833 VanDerWaalsContact O-CE 3.26Å; G830-K833 WeakPolarHBondContact O-CE 3.46Å | ||
| 834 | K | 96.1 | Very high | 95 | Very high | 37 Ų | 37 | 36.9 Ų | 36.9 | 16% | 0.161 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -68 | 147.8 | 177.4 | -69.4 | 176.8 | -168.4 | -175.1 | 0 | 111.5 | Y800 E801 N803 I806 I809 I836 | Y800-K834 PolarHBondContact O-NZ 3.14Å; E801-K834 WeakPolarHBondContact O-CE 3.21Å; E801-K834 PolarHBondContact O-NZ 3.38Å; E801-K834 VanDerWaalsContact OE2-CB 3.31Å; E801-K834 WeakPolarHBondContact OE2-CB 3.47Å; E801-K834 WeakPolarHBondContact OE2-CG 3.13Å; E801-K834 PolarHBondContact OE2-N 2.88Å; E801-K834 VanDerWaalsContact OE2-N 3.11Å; N803-K834 PolarHBondContact O-NZ 3.49Å; I806-K834 WeakPolarHBondContact O-CD 3.35Å; I806-K834 VanDerWaalsContact O-CE 3.29Å; I806-K834 WeakPolarHBondContact O-CE 3.26Å; I806-K834 PolarHBondContact O-NZ 3.43Å; I809-K834 HydrophobicContact CD1-CB 4.45Å; K834-I836 PolarHBondContact O-N 3.36Å |
| 835 | P | 97.1 | Very high | 94.3 | Very high | 31 Ų | 31 | 37.2 Ų | 37.2 | 20% | 0.201 | 20% | 0.197 | C | C | . | . | trans | -59.3 | 131.6 | 174.7 | -20.9 | 31.2 | 0 | 0 | 0 | 111.6 | I809 V912 L916 | I809-P835 PolarHBondContact N-O 3.2Å; P835-V912 HydrophobicContact CB-CG1 3.99Å; P835-L916 HydrophobicContact CB-CD1 4.48Å; P835-L916 HydrophobicContact CG-CD1 3.96Å; P835-L916 HydrophobicContact CG-CD2 3.65Å; P835-L916 HydrophobicContact CG-CG 4.28Å | ||
| 836 | I | 98.2 | Very high | 93.6 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.4 | 174.2 | -54.6 | -179.1 | 0 | 0 | 0 | 108.8 | I809 V811 I823 V827 I832 K834 A838 I896 H897 | I809-I836 HydrophobicContact CB-CG1 4.41Å; I809-I836 CarbonylContact O-C 3.57Å; I809-I836 WeakPolarHBondContact O-CA 3.4Å; V811-I836 HydrophobicContact CG2-CG2 3.84Å; I823-I836 HydrophobicContact CG2-CD1 3.79Å; V827-I836 HydrophobicContact CG2-CD1 4.13Å; I832-I836 HydrophobicContact CD1-CD1 4.43Å; I832-I836 HydrophobicContact CG2-CD1 3.9Å; I832-I836 HydrophobicContact CG2-CG1 4.34Å; K834-I836 PolarHBondContact O-N 3.36Å; I836-A838 HydrophobicContact CG2-CB 4.23Å; I836-I896 HydrophobicContact CB-CG1 4.29Å; I836-I896 HydrophobicContact CB-CG2 4.02Å; I836-I896 HydrophobicContact CD1-CD1 4.46Å; I836-I896 HydrophobicContact CG2-CG2 3.86Å; I836-H897 PolarHBondContact O-CD2 3.45Å; I836-H897 PolarHBondContact O-N 3.44Å |
| 837 | V | 98.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 124.1 | 161.9 | -179 | 0 | 0 | 0 | 0 | 107.8 | M808 I809 V810 V811 H897 L905 L908 I909 V912 | M808-V837 HydrophobicContact CE-CG2 3.76Å; I809-V837 PolarHBondContact O-N 3.03Å; V810-V837 CarbonylContact C-O 3.46Å; V810-V837 VanDerWaalsContact CA-O 3.28Å; V810-V837 WeakPolarHBondContact CA-O 3.22Å; V810-V837 HydrophobicContact CG2-CB 4.45Å; V811-V837 PolarHBondContact N-O 2.93Å; V837-H897 CarbonylContact C-O 3.53Å; V837-H897 VanDerWaalsContact CA-O 3.3Å; V837-H897 WeakPolarHBondContact CA-O 3.26Å; V837-H897 HydrophobicContact CG2-CB 4.14Å; V837-L905 HydrophobicContact CG1-CD1 3.75Å; V837-L908 HydrophobicContact CG1-CD2 3.82Å; V837-L908 HydrophobicContact CG1-CG 3.98Å; V837-I909 HydrophobicContact CB-CG1 4.47Å; V837-I909 HydrophobicContact CG1-CG1 4.09Å; V837-V912 HydrophobicContact CG2-CB 4.21Å; V837-V912 HydrophobicContact CG2-CG1 4.36Å; V837-V912 HydrophobicContact CG2-CG2 3.94Å |
| 838 | A | 97.6 | Very high | 92 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 143.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V811 I836 L891 I896 H897 V898 P899 | V811-A838 HydrophobicContact CB-CB 4.02Å; V811-A838 VanDerWaalsContact O-CA 3.28Å; V811-A838 WeakPolarHBondContact O-CA 3.39Å; I836-A838 HydrophobicContact CG2-CB 4.23Å; A838-L891 HydrophobicContact CB-CD1 4.04Å; A838-I896 HydrophobicContact CB-CG2 3.6Å; A838-H897 PolarHBondContact N-O 2.86Å; A838-V898 WeakPolarHBondContact O-CA 3.43Å; A838-P899 WeakPolarHBondContact O-CD 3.32Å |
| 839 | W | 97.2 | Very high | 90.7 | Very high | 12 Ų | 12 | 32.6 Ų | 32.6 | 5% | 0.045 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 129.8 | 169.5 | 178.5 | -107.4 | 0 | 0 | 0 | 110.2 | V811 L812 G813 N888 V898 P899 E900 F902 L905 | V811-W839 PolarHBondContact O-N 3.37Å; L812-W839 CarbonylContact C-O 3.59Å; L812-W839 WeakPolarHBondContact CA-O 3.5Å; L812-W839 HydrophobicContact CD1-CB 4.34Å; G813-W839 PolarHBondContact N-O 3.12Å; W839-N888 HydrophobicContact CZ3-CB 4.44Å; W839-N888 VanDerWaalsContact CZ3-ND2 3.31Å; W839-N888 WeakPolarHBondContact CZ3-ND2 3.12Å; W839-V898 HydrophobicContact CE3-CG1 3.99Å; W839-V898 HydrophobicContact CZ3-CG1 4.32Å; W839-P899 HydrophobicContact CB-CG 4.19Å; W839-P899 HydrophobicContact CD2-CG 4.2Å; W839-P899 HydrophobicContact CE3-CG 3.85Å; W839-P899 HydrophobicContact CG-CG 4.37Å; W839-P899 WeakPolarHBondContact CZ3-O 3.4Å; W839-E900 WeakPolarHBondContact CH2-O 3.46Å; W839-F902 AromaticContact CD1-CD2 3.78Å; W839-L905 HydrophobicContact CB-CD1 4.47Å |
| 840 | C | 95.9 | Very high | 89.4 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 122.7 | 171.3 | -56.3 | 0 | 0 | 0 | 0 | 109.4 | G813 A884 K887 N888 | G813-C840 WeakPolarHBondContact O-CA 3.44Å; C840-A884 HydrophobicContact CB-CB 4.19Å; C840-K887 HydrophobicContact CB-CB 4.26Å; C840-N888 WeakPolarHBondContact CA-OD1 3.47Å; C840-N888 VanDerWaalsContact CB-OD1 3.25Å; C840-N888 WeakPolarHBondContact CB-OD1 3.44Å; C840-N888 PolarHBondContact N-OD1 3.5Å; C840-N888 PolarHBondContact O-ND2 2.86Å |
| 841 | I | 94 | Very high | 87.9 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 156 | 177.8 | 70.5 | 179 | 0 | 0 | 0 | 111.2 | V334 I335 L812 G813 E814 V815 A884 | V334-I841 HydrophobicContact CB-CD1 4.18Å; V334-I841 HydrophobicContact CB-CG1 4.5Å; V334-I841 HydrophobicContact CG1-CB 4.18Å; V334-I841 HydrophobicContact CG1-CD1 4.27Å; V334-I841 HydrophobicContact CG1-CG1 4.04Å; I335-I841 HydrophobicContact CD1-CG2 3.87Å; I335-I841 HydrophobicContact CG1-CB 4.02Å; I335-I841 HydrophobicContact CG1-CD1 4.31Å; I335-I841 HydrophobicContact CG1-CG2 3.54Å; L812-I841 HydrophobicContact CD1-CG2 4.01Å; L812-I841 HydrophobicContact CG-CG2 4.45Å; G813-I841 PolarHBondContact O-N 3.46Å; G813-I841 VanDerWaalsContact O-N 3.09Å; E814-I841 CarbonylContact C-O 3.58Å; E814-I841 HydrophobicContact CB-CG1 4.15Å; E814-I841 HydrophobicContact CG-CD1 4.32Å; E814-I841 HydrophobicContact CG-CG1 3.89Å; V815-I841 PolarHBondContact N-O 2.9Å; I841-A884 WeakPolarHBondContact O-CB 3.48Å |
| 842 | G | 90.6 | Very high | 86.2 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | trans | 104.2 | 26.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | V334 D338 C844 G845 | V334-G842 VanDerWaalsContact CG1-CA 3.41Å; D338-G842 VanDerWaalsContact OD1-C 3.31Å; D338-G842 WeakPolarHBondContact OD1-CA 3.38Å; D338-G842 WeakPolarHBondContact OD2-CA 3.38Å; D338-G842 PolarHBondContact OD2-N 3.12Å; G842-C844 PolarHBondContact O-N 2.96Å; G842-G845 PolarHBondContact O-N 2.77Å | ||
| 843 | S | 90.1 | Very high | 83.9 | Confident | 12 Ų | 12 | 32.4 Ų | 32.4 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -29.1 | 175.9 | 57.9 | 0 | 0 | 0 | 0 | 112.2 | D338 E342 G845 | D338-S843 WeakPolarHBondContact CB-OG 3.27Å; D338-S843 PolarHBondContact OD1-N 3.13Å; D338-S843 PolarHBondContact OD1-OG 3.12Å; D338-S843 PolarHBondContact OD2-N 2.91Å; E342-S843 PolarHBondContact OE1-OG 2.72Å; S843-G845 PolarHBondContact O-N 2.63Å |
| 844 | C | 88.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.4 | -23.4 | 178.4 | 63.7 | 0 | 0 | 0 | 0 | 114 | D338 C341 G842 E846 L847 L848 | D338-C844 WeakPolarHBondContact OD1-CB 3.35Å; D338-C844 PolarHBondContact OD1-N 2.88Å; D338-C844 PolarHBondContact OD1-SG 3.36Å; C341-C844 HydrophobicContact CB-CB 3.92Å; G842-C844 PolarHBondContact O-N 2.96Å; C844-E846 VanDerWaalsContact C-N 3.26Å; C844-E846 PolarHBondContact O-N 3.32Å; C844-L847 PolarHBondContact O-N 2.95Å; C844-L847 VanDerWaalsContact O-N 3.14Å; C844-L848 HydrophobicContact CB-CD1 4.2Å; C844-L848 WeakPolarHBondContact O-CB 3.38Å; C844-L848 WeakPolarHBondContact O-CG 3.49Å; C844-L848 PolarHBondContact O-N 2.97Å |
| 845 | G | 81.9 | Confident | 78.7 | Confident | 12 Ų | 12 | 33.4 Ų | 33.4 | 12% | 0.124 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.5 | -38.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G842 S843 S849 | G842-G845 PolarHBondContact O-N 2.77Å; S843-G845 PolarHBondContact O-N 2.63Å; G845-S849 VanDerWaalsContact O-CB 3.31Å; G845-S849 WeakPolarHBondContact O-CB 3.34Å; G845-S849 PolarHBondContact O-N 3.35Å; G845-S849 VanDerWaalsContact O-N 3.13Å; G845-S849 PolarHBondContact O-OG 2.93Å |
| 846 | E | 79.4 | Confident | 75.5 | Confident | 74 Ų | 74 | 37.3 Ų | 37.3 | 35% | 0.346 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -72.1 | -41.4 | 176.6 | -171.8 | 175.4 | 179.9 | 0 | 0 | 111.8 | C844 S849 S850 T885 | C844-E846 VanDerWaalsContact C-N 3.26Å; C844-E846 PolarHBondContact O-N 3.32Å; E846-S849 PolarHBondContact O-N 2.85Å; E846-S850 VanDerWaalsContact O-CB 3.25Å; E846-S850 WeakPolarHBondContact O-CB 3.26Å; E846-S850 PolarHBondContact O-N 3.17Å; E846-S850 PolarHBondContact O-OG 2.76Å; E846-T885 WeakPolarHBondContact OE2-CB 3.21Å; E846-T885 WeakPolarHBondContact OE2-CG2 3.34Å; E846-T885 PolarHBondContact OE2-OG1 3.37Å |
| 847 | L | 80.4 | Confident | 72.2 | Confident | 62 Ų | 62 | 45.3 Ų | 45.3 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 178.4 | -63.6 | 174.5 | 0 | 0 | 0 | 111.9 | C341 V357 C844 S850 A851 | C341-L847 HydrophobicContact CB-CD1 3.96Å; V357-L847 HydrophobicContact CG1-CB 3.85Å; V357-L847 HydrophobicContact CG1-CD1 4.46Å; C844-L847 PolarHBondContact O-N 2.95Å; C844-L847 VanDerWaalsContact O-N 3.14Å; L847-S850 PolarHBondContact O-N 3.18Å; L847-A851 WeakPolarHBondContact O-CB 3.23Å; L847-A851 PolarHBondContact O-N 3.08Å |
| 848 | L | 77.6 | Confident | 69 | Low | 24 Ų | 24 | 50.9 Ų | 50.9 | 13% | 0.126 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.7 | -41 | 178.6 | -70 | 168.4 | 0 | 0 | 0 | 111.4 | L317 V357 C844 A852 I868 | L317-L848 HydrophobicContact CD1-CD1 4.04Å; L317-L848 HydrophobicContact CD1-CD2 4.23Å; V357-L848 HydrophobicContact CB-CD2 4.15Å; C844-L848 HydrophobicContact CB-CD1 4.2Å; C844-L848 WeakPolarHBondContact O-CB 3.38Å; C844-L848 WeakPolarHBondContact O-CG 3.49Å; C844-L848 PolarHBondContact O-N 2.97Å; L848-A852 PolarHBondContact O-N 3.12Å; L848-A852 VanDerWaalsContact O-N 3.15Å; L848-I868 HydrophobicContact CB-CD1 3.58Å; L848-I868 HydrophobicContact CD1-CD1 3.44Å; L848-I868 VanDerWaalsContact CD1-CD1 3.44Å; L848-I868 HydrophobicContact CG-CD1 4.11Å |
| 849 | S | 69.4 | Low | 65.9 | Low | 20 Ų | 20 | 57.8 Ų | 57.8 | 14% | 0.14 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 174.5 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | G845 E846 A852 N853 | G845-S849 VanDerWaalsContact O-CB 3.31Å; G845-S849 WeakPolarHBondContact O-CB 3.34Å; G845-S849 PolarHBondContact O-N 3.35Å; G845-S849 VanDerWaalsContact O-N 3.13Å; G845-S849 PolarHBondContact O-OG 2.93Å; E846-S849 PolarHBondContact O-N 2.85Å; S849-A852 WeakPolarHBondContact O-CB 3.38Å; S849-A852 PolarHBondContact O-N 3.04Å; S849-N853 PolarHBondContact O-N 2.86Å; S849-N853 VanDerWaalsContact O-N 3.15Å; S849-N853 PolarHBondContact O-ND2 3.11Å; S849-N853 VanDerWaalsContact O-ND2 3.15Å |
| 850 | S | 66.6 | Low | 62.7 | Low | 60 Ų | 60 | 62.9 Ų | 62.9 | 42% | 0.42 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.1 | -38.9 | 178.9 | -61.6 | 0 | 0 | 0 | 0 | 112.8 | E846 L847 A852 N853 S854 | E846-S850 VanDerWaalsContact O-CB 3.25Å; E846-S850 WeakPolarHBondContact O-CB 3.26Å; E846-S850 PolarHBondContact O-N 3.17Å; E846-S850 PolarHBondContact O-OG 2.76Å; L847-S850 PolarHBondContact O-N 3.18Å; S850-A852 VanDerWaalsContact C-N 3.31Å; S850-A852 PolarHBondContact O-N 3.11Å; S850-N853 CarbonylContact O-C 3.52Å; S850-N853 WeakPolarHBondContact O-CA 2.99Å; S850-N853 WeakPolarHBondContact O-CB 3.46Å; S850-N853 PolarHBondContact O-N 2.86Å; S850-S854 PolarHBondContact O-N 3.05Å |
| 851 | A | 62.2 | Low | 59.8 | Low | 34 Ų | 34 | 70.2 Ų | 70.2 | 28% | 0.281 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68.3 | -31.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V357 L847 N853 | V357-A851 HydrophobicContact CG2-CB 3.2Å; L847-A851 WeakPolarHBondContact O-CB 3.23Å; L847-A851 PolarHBondContact O-N 3.08Å; A851-N853 PolarHBondContact O-N 3.23Å |
| 852 | A | 58.5 | Low | 56.9 | Low | 59 Ų | 59 | 74.2 Ų | 74.2 | 49% | 0.488 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.1 | -32.4 | 167 | 0 | 0 | 0 | 0 | 0 | 111.6 | S93 L848 S849 S850 | S93-A852 WeakPolarHBondContact CB-O 3.11Å; L848-A852 PolarHBondContact O-N 3.12Å; L848-A852 VanDerWaalsContact O-N 3.15Å; S849-A852 WeakPolarHBondContact O-CB 3.38Å; S849-A852 PolarHBondContact O-N 3.04Å; S850-A852 VanDerWaalsContact C-N 3.31Å; S850-A852 PolarHBondContact O-N 3.11Å |
| 853 | N | 46.8 | Very low | 54.3 | Low | 58 Ų | 58 | 78.7 Ų | 78.7 | 31% | 0.31 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -81.2 | -21.9 | -179 | -64.3 | -24.1 | 0 | 0 | 0 | 115.7 | S93 S849 S850 A851 N855 | S93-N853 VanDerWaalsContact CB-OD1 3.3Å; S93-N853 WeakPolarHBondContact CB-OD1 3.22Å; S93-N853 PolarHBondContact OG-OD1 3.29Å; S849-N853 PolarHBondContact O-N 2.86Å; S849-N853 VanDerWaalsContact O-N 3.15Å; S849-N853 PolarHBondContact O-ND2 3.11Å; S849-N853 VanDerWaalsContact O-ND2 3.15Å; S850-N853 CarbonylContact O-C 3.52Å; S850-N853 WeakPolarHBondContact O-CA 2.99Å; S850-N853 WeakPolarHBondContact O-CB 3.46Å; S850-N853 PolarHBondContact O-N 2.86Å; A851-N853 PolarHBondContact O-N 3.23Å; N853-N855 PolarHBondContact O-N 3.28Å |
| 854 | S | 43.3 | Very low | 51.6 | Low | 102 Ų | 102 | 82.9 Ų | 82.9 | 71% | 0.713 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 1.2 | -169.5 | -163.5 | 0 | 0 | 0 | 0 | 115.7 | S850 | S850-S854 PolarHBondContact O-N 3.05Š|
| 855 | N | 39.2 | Very low | 49.1 | Very low | 128 Ų | 128 | 83.5 Ų | 83.5 | 68% | 0.684 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -0.9 | 178.4 | -85.3 | -10.8 | 0 | 0 | 0 | 115.5 | N853 | N853-N855 PolarHBondContact O-N 3.28Š|
| 856 | N | 30.8 | Very low | 47.4 | Very low | 112 Ų | 112 | 85.2 Ų | 85.2 | 60% | 0.599 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -150.5 | 125.6 | 175.1 | -77.9 | -45.4 | 0 | 0 | 0 | 112.8 | T858 | N856-T858 PolarHBondContact O-N 2.91Š|
| 857 | N | 28.7 | Very low | 46.3 | Very low | 173 Ų | 173 | 83.9 Ų | 83.9 | 93% | 0.925 | 51% | 0.509 | S | S | * | . | trans | -65.8 | 85.9 | 172.9 | -86.6 | -23.9 | 0 | 0 | 0 | 111.5 | ||||
| 858 | T | 30 | Very low | 45.7 | Very low | 118 Ų | 118 | 82 Ų | 82 | 72% | 0.724 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -163.4 | 122.7 | 160.2 | 39.8 | 0 | 0 | 0 | 0 | 111.4 | N856 | N856-T858 PolarHBondContact O-N 2.91Š|
| 859 | D | 32 | Very low | 45.3 | Very low | 146 Ų | 146 | 84 Ų | 84 | 78% | 0.781 | 51% | 0.508 | S | S | * | . | trans | 53.9 | 96.3 | 162.3 | -58.7 | -15.2 | 0 | 0 | 0 | 119.7 | N861 | D859-N861 PolarHBondContact O-N 3.31Š| ||
| 860 | S | 31.1 | Very low | 45.7 | Very low | 119 Ų | 119 | 83.4 Ų | 83.4 | 83% | 0.832 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 4 | 177.2 | 53.1 | 0 | 0 | 0 | 0 | 116.6 | ||
| 861 | N | 35.2 | Very low | 45.4 | Very low | 155 Ų | 155 | 81 Ų | 81 | 83% | 0.829 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 7.8 | -174.8 | -75 | -6.9 | 0 | 0 | 0 | 114.2 | D859 | D859-N861 PolarHBondContact O-N 3.31Š|
| 862 | N | 33.3 | Very low | 45.8 | Very low | 87 Ų | 87 | 80.5 Ų | 80.5 | 47% | 0.465 | 48% | 0.48 | S | S | . | . | trans | -114.5 | 80.3 | -173.8 | -150 | 3.6 | 0 | 0 | 0 | 111.4 | T864 | N862-T864 PolarHBondContact ND2-OG1 3.31Å; N862-T864 PolarHBondContact O-N 2.92Å; N862-T864 VanDerWaalsContact OD1-CG2 3.23Å; N862-T864 WeakPolarHBondContact OD1-CG2 3.47Å; N862-T864 PolarHBondContact OD1-OG1 3.35Å | ||
| 863 | I | 35 | Very low | 46.2 | Very low | 98 Ų | 98 | 78.6 Ų | 78.6 | 50% | 0.503 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 53.9 | 171.5 | -48.3 | 175.7 | 0 | 0 | 0 | 109.4 | L880 | I863-L880 HydrophobicContact CD1-CB 4.31Å; I863-L880 HydrophobicContact CD1-CD1 3.77Å |
| 864 | T | 32.9 | Very low | 47 | Very low | 100 Ų | 100 | 76.3 Ų | 76.3 | 61% | 0.613 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 2.2 | 176.5 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | N862 | N862-T864 PolarHBondContact ND2-OG1 3.31Å; N862-T864 PolarHBondContact O-N 2.92Å; N862-T864 VanDerWaalsContact OD1-CG2 3.23Å; N862-T864 WeakPolarHBondContact OD1-CG2 3.47Å; N862-T864 PolarHBondContact OD1-OG1 3.35Å |
| 865 | G | 35.7 | Very low | 48.6 | Very low | 13 Ų | 13 | 71.5 Ų | 71.5 | 13% | 0.134 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -70.8 | 125.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | S867 | G865-S867 PolarHBondContact O-N 3.23Å; G865-S867 VanDerWaalsContact O-N 3.17Å |
| 866 | G | 47.4 | Very low | 50.2 | Low | 47 Ų | 47 | 66.3 Ų | 66.3 | 49% | 0.485 | 39% | 0.394 | S | S | . | . | trans | -53.8 | 114.8 | -160.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 867 | S | 55.8 | Low | 52.3 | Low | 46 Ų | 46 | 61.9 Ų | 61.9 | 32% | 0.322 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 147.5 | 176.6 | 52 | 0 | 0 | 0 | 0 | 112.1 | G865 A877 | G865-S867 PolarHBondContact O-N 3.23Å; G865-S867 VanDerWaalsContact O-N 3.17Å; S867-A877 WeakPolarHBondContact CB-O 3.16Å; S867-A877 PolarHBondContact OG-O 2.93Å |
| 868 | I | 67.2 | Low | 54.3 | Low | 22 Ų | 22 | 58.3 Ų | 58.3 | 11% | 0.113 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -81 | 121.7 | 176.6 | -61.9 | 174.9 | 0 | 0 | 0 | 107.6 | L317 L848 F870 | L317-I868 HydrophobicContact CD2-CD1 4.1Å; L848-I868 HydrophobicContact CB-CD1 3.58Å; L848-I868 HydrophobicContact CD1-CD1 3.44Å; L848-I868 VanDerWaalsContact CD1-CD1 3.44Å; L848-I868 HydrophobicContact CG-CD1 4.11Å; I868-F870 HydrophobicContact CB-CZ 4.46Å; I868-F870 HydrophobicContact CG2-CD1 4.21Å; I868-F870 HydrophobicContact CG2-CE1 4.01Å; I868-F870 HydrophobicContact CG2-CZ 4.24Å |
| 869 | Q | 69.3 | Low | 56.5 | Low | 68 Ų | 68 | 54.9 Ų | 54.9 | 32% | 0.318 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 116.8 | 168.1 | 175.6 | 67.6 | 60.7 | 0 | 0 | 107.8 | H872 C876 | Q869-H872 PolarHBondContact NE2-O 3.44Å; Q869-C876 VanDerWaalsContact OE1-CB 3.25Å |
| 870 | F | 77.6 | Confident | 58.8 | Low | 7 Ų | 7 | 52.8 Ų | 52.8 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | trans | -83.4 | 177.2 | 172.9 | -61.2 | -75.9 | 0 | 0 | 0 | 111 | V334 Y363 V815 I868 H872 A875 | V334-F870 HydrophobicContact CG2-CB 3.85Å; V334-F870 HydrophobicContact CG2-CD1 3.77Å; V334-F870 HydrophobicContact CG2-CE1 4.48Å; V334-F870 HydrophobicContact CG2-CG 3.88Å; Y363-F870 HydrophobicContact CD1-CD1 4.35Å; Y363-F870 HydrophobicContact CD2-CD1 4.04Å; Y363-F870 HydrophobicContact CD2-CE1 4.29Å; Y363-F870 HydrophobicContact CE1-CB 4.32Å; Y363-F870 AromaticContact CE1-CD1 3.92Å; Y363-F870 HydrophobicContact CE1-CD1 3.92Å; Y363-F870 AromaticContact CE2-CD1 3.6Å; Y363-F870 HydrophobicContact CE2-CD1 3.6Å; Y363-F870 HydrophobicContact CE2-CE1 4.21Å; Y363-F870 HydrophobicContact CG-CD1 4.41Å; Y363-F870 AromaticContact CZ-CD1 3.55Å; V815-F870 HydrophobicContact CG1-CD2 3.48Å; V815-F870 VanDerWaalsContact CG1-CD2 3.48Å; V815-F870 HydrophobicContact CG1-CE2 3.7Å; I868-F870 HydrophobicContact CB-CZ 4.46Å; I868-F870 HydrophobicContact CG2-CD1 4.21Å; I868-F870 HydrophobicContact CG2-CE1 4.01Å; I868-F870 HydrophobicContact CG2-CZ 4.24Å; F870-H872 PolarHBondContact O-N 2.8Å; F870-A875 HydrophobicContact CB-CB 3.78Å; F870-A875 HydrophobicContact CD2-CB 4.49Å; F870-A875 PolarHBondContact N-O 3.34Å; F870-A875 VanDerWaalsContact N-O 3.07Å | ||
| 871 | G | 61.3 | Low | 61.4 | Low | 10 Ų | 10 | 53 Ų | 53 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -58.8 | -41.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115 | Y363 | Y363-G871 PolarHBondContact OH-N 3.25Š|
| 872 | H | 71.5 | Confident | 63.9 | Low | 23 Ų | 23 | 47 Ų | 47 | 11% | 0.106 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -71.9 | 141.7 | 176 | -62.7 | 152.9 | 0 | 0 | 0 | 111.4 | E814 Q869 F870 G874 A875 | E814-H872 IonicContact OE1-CE1 3.57Å; E814-H872 IonicContact OE1-CG 2.63Å; E814-H872 IonicContact OE1-ND1 3.59Å; E814-H872 PolarHBondContact OE1-ND1 2.79Å; E814-H872 IonicContact OE2-CE1 3.5Å; E814-H872 IonicContact OE2-CG 2.63Å; E814-H872 IonicContact OE2-ND1 3.46Å; E814-H872 PolarHBondContact OE2-ND1 3.03Å; Q869-H872 PolarHBondContact NE2-O 3.44Å; F870-H872 PolarHBondContact O-N 2.8Å; H872-G874 PolarHBondContact O-N 3.2Å; H872-A875 HydrophobicContact CB-CB 3.99Å; H872-A875 WeakPolarHBondContact O-CB 3.45Å; H872-A875 PolarHBondContact O-N 3.48Å |
| 873 | A | 65.3 | Low | 66.5 | Low | 18 Ų | 18 | 43.5 Ų | 43.5 | 15% | 0.149 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -35.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G785 A875 | G785-A873 PolarHBondContact O-N 3.36Å; A873-A875 VanDerWaalsContact C-N 3.35Å |
| 874 | G | 64.9 | Low | 69.3 | Low | 11 Ų | 11 | 38.9 Ų | 38.9 | 11% | 0.113 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -10.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | G785 H872 C876 | G785-G874 PolarHBondContact O-N 3.22Å; H872-G874 PolarHBondContact O-N 3.2Å; G874-C876 VanDerWaalsContact C-N 3.29Å; G874-C876 PolarHBondContact O-N 2.64Å |
| 875 | A | 76.7 | Confident | 72.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -85.9 | 63.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E814 V815 F870 H872 A873 | E814-A875 HydrophobicContact CG-CB 4.13Å; E814-A875 WeakPolarHBondContact OE1-CB 3.18Å; V815-A875 HydrophobicContact CG1-CB 4.15Å; V815-A875 WeakPolarHBondContact O-CA 3.48Å; F870-A875 HydrophobicContact CB-CB 3.78Å; F870-A875 HydrophobicContact CD2-CB 4.49Å; F870-A875 PolarHBondContact N-O 3.34Å; F870-A875 VanDerWaalsContact N-O 3.07Å; H872-A875 HydrophobicContact CB-CB 3.99Å; H872-A875 WeakPolarHBondContact O-CB 3.45Å; H872-A875 PolarHBondContact O-N 3.48Å; A873-A875 VanDerWaalsContact C-N 3.35Å | ||
| 876 | C | 71.8 | Confident | 74.8 | Confident | 19 Ų | 19 | 36.4 Ų | 36.4 | 13% | 0.128 | 22% | 0.221 | C | C | . | . | trans | -143.4 | 122.2 | 176.7 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | G816 Q869 G874 N878 | G816-C876 VanDerWaalsContact CA-O 3.3Å; G816-C876 WeakPolarHBondContact CA-O 3.47Å; Q869-C876 VanDerWaalsContact OE1-CB 3.25Å; G874-C876 VanDerWaalsContact C-N 3.29Å; G874-C876 PolarHBondContact O-N 2.64Å; C876-N878 PolarHBondContact O-ND2 3.15Å | ||
| 877 | A | 75.7 | Confident | 77.1 | Confident | 20 Ų | 20 | 34.2 Ų | 34.2 | 17% | 0.165 | 20% | 0.198 | C | C | . | . | trans | -84.1 | 117.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V815 S867 E882 T883 | V815-A877 HydrophobicContact CG2-CB 3.81Å; S867-A877 WeakPolarHBondContact CB-O 3.16Å; S867-A877 PolarHBondContact OG-O 2.93Å; A877-E882 HydrophobicContact CB-CB 3.88Å; A877-T883 HydrophobicContact CB-CG2 4.17Å | ||
| 878 | N | 70.3 | Confident | 79 | Confident | 97 Ų | 97 | 32.5 Ų | 32.5 | 52% | 0.519 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -94.8 | -10.7 | 172.7 | -56.5 | -81.9 | 0 | 0 | 0 | 112.7 | C876 E882 | C876-N878 PolarHBondContact O-ND2 3.15Å; N878-E882 PolarHBondContact N-OE2 3.39Å; N878-E882 PolarHBondContact ND2-OE2 3.24Å |
| 879 | S | 75.3 | Confident | 80.4 | Confident | 47 Ų | 47 | 37.8 Ų | 37.8 | 33% | 0.329 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -147.2 | 164.9 | -178.5 | 65.7 | 0 | 0 | 0 | 0 | 110.8 | Q881 E882 | S879-Q881 PolarHBondContact O-N 3.45Å; S879-E882 PolarHBondContact N-OE1 3.43Å; S879-E882 PolarHBondContact O-N 3.45Å; S879-E882 VanDerWaalsContact O-N 3.08Å; S879-E882 WeakPolarHBondContact OG-CG 3.36Å; S879-E882 PolarHBondContact OG-OE1 2.75Å |
| 880 | L | 81.1 | Confident | 81.7 | Confident | 101 Ų | 101 | 35.4 Ų | 35.4 | 53% | 0.529 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -59.1 | -36.7 | 177.2 | -176.4 | 67.2 | 0 | 0 | 0 | 112 | I863 E882 T883 A886 | I863-L880 HydrophobicContact CD1-CB 4.31Å; I863-L880 HydrophobicContact CD1-CD1 3.77Å; L880-E882 PolarHBondContact O-N 3.06Å; L880-T883 HydrophobicContact CD1-CG2 4.48Å; L880-T883 WeakPolarHBondContact O-CB 3.13Å; L880-T883 WeakPolarHBondContact O-CG2 3.48Å; L880-T883 PolarHBondContact O-N 3.19Å; L880-T883 VanDerWaalsContact O-N 3.15Å; L880-T883 PolarHBondContact O-OG1 2.9Å; L880-A886 WeakPolarHBondContact O-CB 3.3Å |
| 881 | Q | 85.7 | Confident | 82.6 | Confident | 124 Ų | 124 | 35.1 Ų | 35.1 | 58% | 0.579 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -65.3 | -25 | 178.1 | -66.8 | -178.3 | -4.5 | 0 | 0 | 112.7 | Y821 S879 T883 | Y821-Q881 HydrophobicContact CE2-CB 4.27Å; Y821-Q881 VanDerWaalsContact CE2-O 3.31Å; Y821-Q881 WeakPolarHBondContact CE2-O 3.46Å; Y821-Q881 PolarHBondContact OH-O 2.79Å; Y821-Q881 VanDerWaalsContact OH-O 3.11Å; S879-Q881 PolarHBondContact O-N 3.45Å; Q881-T883 VanDerWaalsContact C-N 3.29Å |
| 882 | E | 87.1 | Confident | 84.3 | Confident | 29 Ų | 29 | 37 Ų | 37 | 14% | 0.136 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -83.6 | -5.3 | 178.2 | -69.3 | 168.4 | -121 | 0 | 0 | 112.8 | G816 V818 A877 N878 S879 L880 | G816-E882 PolarHBondContact N-O 2.97Å; V818-E882 HydrophobicContact CG1-CG 4.12Å; A877-E882 HydrophobicContact CB-CB 3.88Å; N878-E882 PolarHBondContact N-OE2 3.39Å; N878-E882 PolarHBondContact ND2-OE2 3.24Å; S879-E882 PolarHBondContact N-OE1 3.43Å; S879-E882 PolarHBondContact O-N 3.45Å; S879-E882 VanDerWaalsContact O-N 3.08Å; S879-E882 WeakPolarHBondContact OG-CG 3.36Å; S879-E882 PolarHBondContact OG-OE1 2.75Å; L880-E882 PolarHBondContact O-N 3.06Å |
| 883 | T | 89.6 | Confident | 85.4 | Confident | 14 Ų | 14 | 40.4 Ų | 40.4 | 9% | 0.086 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -72.5 | 142.9 | 177.6 | 66.7 | 0 | 0 | 0 | 0 | 111.4 | A877 L880 Q881 T885 A886 K887 | A877-T883 HydrophobicContact CB-CG2 4.17Å; L880-T883 HydrophobicContact CD1-CG2 4.48Å; L880-T883 WeakPolarHBondContact O-CB 3.13Å; L880-T883 WeakPolarHBondContact O-CG2 3.48Å; L880-T883 PolarHBondContact O-N 3.19Å; L880-T883 VanDerWaalsContact O-N 3.15Å; L880-T883 PolarHBondContact O-OG1 2.9Å; Q881-T883 VanDerWaalsContact C-N 3.29Å; T883-T885 VanDerWaalsContact C-N 3.26Å; T883-T885 PolarHBondContact O-N 3.33Å; T883-A886 PolarHBondContact O-N 3.39Å; T883-A886 WeakPolarHBondContact OG1-CB 3.26Å; T883-A886 PolarHBondContact OG1-N 2.92Å; T883-K887 WeakPolarHBondContact O-CG 3.46Å; T883-K887 PolarHBondContact O-N 3.27Å; T883-K887 VanDerWaalsContact O-N 3.11Å |
| 884 | A | 92.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.2 | -39.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V815 C840 I841 K887 N888 | V815-A884 HydrophobicContact CB-CB 4.3Å; C840-A884 HydrophobicContact CB-CB 4.19Å; I841-A884 WeakPolarHBondContact O-CB 3.48Å; A884-K887 PolarHBondContact O-N 2.95Å; A884-N888 WeakPolarHBondContact O-CB 3.44Å; A884-N888 VanDerWaalsContact O-CG 3.3Å; A884-N888 PolarHBondContact O-N 3.01Å; A884-N888 PolarHBondContact O-ND2 2.96Å |
| 885 | T | 92.1 | Very high | 88.2 | Confident | 37 Ų | 37 | 43.2 Ų | 43.2 | 23% | 0.227 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56 | -52.7 | 175.2 | -44.2 | 0 | 0 | 0 | 0 | 111.6 | E846 T883 K887 N888 H889 | E846-T885 WeakPolarHBondContact OE2-CB 3.21Å; E846-T885 WeakPolarHBondContact OE2-CG2 3.34Å; E846-T885 PolarHBondContact OE2-OG1 3.37Å; T883-T885 VanDerWaalsContact C-N 3.26Å; T883-T885 PolarHBondContact O-N 3.33Å; T885-K887 VanDerWaalsContact C-N 3.33Å; T885-K887 PolarHBondContact O-N 3.49Å; T885-N888 PolarHBondContact O-N 3.41Å; T885-H889 PolarHBondContact O-N 3.04Å; T885-H889 PolarHBondContact O-ND1 3.13Å |
| 886 | A | 93.3 | Very high | 89.2 | Confident | 24 Ų | 24 | 43.8 Ų | 43.8 | 20% | 0.198 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.4 | -39.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L880 T883 A890 | L880-A886 WeakPolarHBondContact O-CB 3.3Å; T883-A886 PolarHBondContact O-N 3.39Å; T883-A886 WeakPolarHBondContact OG1-CB 3.26Å; T883-A886 PolarHBondContact OG1-N 2.92Å; A886-A890 VanDerWaalsContact O-CB 3.28Å; A886-A890 WeakPolarHBondContact O-CB 3.49Å; A886-A890 PolarHBondContact O-N 2.75Å |
| 887 | K | 95.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.7 | -47.3 | 175.9 | -66.8 | 175.1 | -177.6 | -161.1 | 0 | 112.1 | E814 G816 G817 E820 Y821 C840 T883 A884 T885 H889 A890 L891 | E814-K887 PolarHBondContact O-NZ 3.04Å; G816-K887 PolarHBondContact O-NZ 3.06Å; G817-K887 WeakPolarHBondContact O-CE 3.24Å; G817-K887 PolarHBondContact O-NZ 3.07Å; E820-K887 VanDerWaalsContact CD-NZ 3.32Å; E820-K887 HydrophobicContact CG-CD 4.39Å; E820-K887 IonicContact OE1-NZ 2.91Å; E820-K887 PolarHBondContact OE1-NZ 3.24Å; E820-K887 WeakPolarHBondContact OE2-CE 3.36Å; E820-K887 IonicContact OE2-NZ 3.77Å; E820-K887 PolarHBondContact OE2-NZ 3.43Å; Y821-K887 HydrophobicContact CE2-CG 4.12Å; C840-K887 HydrophobicContact CB-CB 4.26Å; T883-K887 WeakPolarHBondContact O-CG 3.46Å; T883-K887 PolarHBondContact O-N 3.27Å; T883-K887 VanDerWaalsContact O-N 3.11Å; A884-K887 PolarHBondContact O-N 2.95Å; T885-K887 VanDerWaalsContact C-N 3.33Å; T885-K887 PolarHBondContact O-N 3.49Å; K887-H889 PolarHBondContact O-N 2.9Å; K887-A890 PolarHBondContact O-N 3.44Å; K887-L891 WeakPolarHBondContact O-CB 3.27Å; K887-L891 VanDerWaalsContact O-CG 3.28Å; K887-L891 WeakPolarHBondContact O-CG 3.29Å; K887-L891 PolarHBondContact O-N 2.94Å |
| 888 | N | 96.2 | Very high | 91.5 | Very high | 10 Ų | 10 | 46.5 Ų | 46.5 | 5% | 0.053 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 178.5 | -74.4 | -26.3 | 0 | 0 | 0 | 111.8 | W839 C840 A884 T885 L891 A892 V898 | W839-N888 HydrophobicContact CZ3-CB 4.44Å; W839-N888 VanDerWaalsContact CZ3-ND2 3.31Å; W839-N888 WeakPolarHBondContact CZ3-ND2 3.12Å; C840-N888 WeakPolarHBondContact CA-OD1 3.47Å; C840-N888 VanDerWaalsContact CB-OD1 3.25Å; C840-N888 WeakPolarHBondContact CB-OD1 3.44Å; C840-N888 PolarHBondContact N-OD1 3.5Å; C840-N888 PolarHBondContact O-ND2 2.86Å; A884-N888 WeakPolarHBondContact O-CB 3.44Å; A884-N888 VanDerWaalsContact O-CG 3.3Å; A884-N888 PolarHBondContact O-N 3.01Å; A884-N888 PolarHBondContact O-ND2 2.96Å; T885-N888 PolarHBondContact O-N 3.41Å; N888-L891 PolarHBondContact O-N 3.31Å; N888-A892 WeakPolarHBondContact O-CB 3.43Å; N888-A892 PolarHBondContact O-N 2.9Å; N888-V898 HydrophobicContact CB-CG1 4.05Å |
| 889 | H | 95.7 | Very high | 92.7 | Very high | 133 Ų | 133 | 42.4 Ų | 42.4 | 62% | 0.616 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.9 | -42.7 | 174.5 | -73.8 | 86.7 | 0 | 0 | 0 | 112.2 | T885 K887 A892 S893 | T885-H889 PolarHBondContact O-N 3.04Å; T885-H889 PolarHBondContact O-ND1 3.13Å; K887-H889 PolarHBondContact O-N 2.9Å; H889-A892 PolarHBondContact O-N 3.48Å; H889-S893 PolarHBondContact O-N 3.35Å; H889-S893 VanDerWaalsContact O-N 3.08Å |
| 890 | A | 96 | Very high | 93.4 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y821 I824 A886 K887 S893 | Y821-A890 HydrophobicContact CD1-CB 4.4Å; Y821-A890 HydrophobicContact CE1-CB 3.69Å; I824-A890 VanDerWaalsContact CD1-C 3.46Å; I824-A890 HydrophobicContact CD1-CB 3.47Å; I824-A890 VanDerWaalsContact CD1-CB 3.47Å; A886-A890 VanDerWaalsContact O-CB 3.28Å; A886-A890 WeakPolarHBondContact O-CB 3.49Å; A886-A890 PolarHBondContact O-N 2.75Å; K887-A890 PolarHBondContact O-N 3.44Å; A890-S893 PolarHBondContact O-N 3.45Å; A890-S893 PolarHBondContact O-OG 3.43Å |
| 891 | L | 96.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 174.4 | -71.2 | 164.7 | 0 | 0 | 0 | 110.9 | I824 A838 K887 N888 S893 V894 I896 V898 | I824-L891 HydrophobicContact CD1-CD2 4.3Å; I824-L891 HydrophobicContact CD1-CG 4.39Å; I824-L891 HydrophobicContact CG1-CD2 3.87Å; I824-L891 HydrophobicContact CG1-CG 4.46Å; A838-L891 HydrophobicContact CB-CD1 4.04Å; K887-L891 WeakPolarHBondContact O-CB 3.27Å; K887-L891 VanDerWaalsContact O-CG 3.28Å; K887-L891 WeakPolarHBondContact O-CG 3.29Å; K887-L891 PolarHBondContact O-N 2.94Å; N888-L891 PolarHBondContact O-N 3.31Å; L891-S893 PolarHBondContact O-N 3.42Å; L891-V894 VanDerWaalsContact O-CG2 3.23Å; L891-V894 WeakPolarHBondContact O-CG2 3.29Å; L891-V894 PolarHBondContact O-N 3.18Å; L891-I896 HydrophobicContact CB-CB 4.43Å; L891-I896 HydrophobicContact CB-CD1 4.35Å; L891-I896 HydrophobicContact CB-CG2 4.43Å; L891-I896 HydrophobicContact CD2-CD1 3.53Å; L891-I896 WeakPolarHBondContact O-CB 3.2Å; L891-V898 HydrophobicContact CB-CG2 3.84Å |
| 892 | A | 96.6 | Very high | 94.1 | Very high | 50 Ų | 50 | 37.2 Ų | 37.2 | 41% | 0.413 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.6 | -34.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N888 H889 V894 G895 V898 | N888-A892 WeakPolarHBondContact O-CB 3.43Å; N888-A892 PolarHBondContact O-N 2.9Å; H889-A892 PolarHBondContact O-N 3.48Å; A892-V894 PolarHBondContact O-N 3.33Å; A892-V894 VanDerWaalsContact O-N 3.15Å; A892-G895 PolarHBondContact O-N 2.7Å; A892-G895 VanDerWaalsContact O-N 3.15Å; A892-V898 HydrophobicContact CB-CB 4.22Å; A892-V898 HydrophobicContact CB-CG2 4.06Å |
| 893 | S | 96.1 | Very high | 94.1 | Very high | 93 Ų | 93 | 37.8 Ų | 37.8 | 65% | 0.65 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19.7 | -177.8 | 78.3 | 0 | 0 | 0 | 0 | 115 | H889 A890 L891 | H889-S893 PolarHBondContact O-N 3.35Å; H889-S893 VanDerWaalsContact O-N 3.08Å; A890-S893 PolarHBondContact O-N 3.45Å; A890-S893 PolarHBondContact O-OG 3.43Å; L891-S893 PolarHBondContact O-N 3.42Å |
| 894 | V | 95.7 | Very high | 94.2 | Very high | 30 Ų | 30 | 40.6 Ų | 40.6 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 15.5 | 179.1 | -64.7 | 0 | 0 | 0 | 0 | 113.5 | I824 V827 K828 L891 A892 I896 | I824-V894 HydrophobicContact CB-CG2 4.37Å; I824-V894 HydrophobicContact CG1-CG2 4.23Å; I824-V894 HydrophobicContact CG2-CB 4.46Å; I824-V894 HydrophobicContact CG2-CG1 3.64Å; I824-V894 HydrophobicContact CG2-CG2 4.01Å; V827-V894 HydrophobicContact CG1-CB 4.32Å; V827-V894 HydrophobicContact CG1-CG2 4.35Å; K828-V894 HydrophobicContact CD-CG1 4.21Å; K828-V894 VanDerWaalsContact CE-CG1 3.49Å; K828-V894 HydrophobicContact CG-CG1 3.75Å; L891-V894 VanDerWaalsContact O-CG2 3.23Å; L891-V894 WeakPolarHBondContact O-CG2 3.29Å; L891-V894 PolarHBondContact O-N 3.18Å; A892-V894 PolarHBondContact O-N 3.33Å; A892-V894 VanDerWaalsContact O-N 3.15Å; V894-I896 HydrophobicContact CG2-CD1 3.97Å; V894-I896 HydrophobicContact CG2-CG1 4.14Å |
| 895 | G | 93.7 | Very high | 94.3 | Very high | 59 Ų | 59 | 40.6 Ų | 40.6 | 61% | 0.608 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | 8.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | A892 | A892-G895 PolarHBondContact O-N 2.7Å; A892-G895 VanDerWaalsContact O-N 3.15Å |
| 896 | I | 97.3 | Very high | 94.3 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | trans | -68.7 | 137.4 | 168.5 | -64.6 | 170 | 0 | 0 | 0 | 108.5 | I823 V827 I836 A838 L891 V894 V898 | I823-I896 HydrophobicContact CG2-CD1 3.99Å; V827-I896 HydrophobicContact CG2-CD1 4.2Å; V827-I896 HydrophobicContact CG2-CG1 4.36Å; I836-I896 HydrophobicContact CB-CG1 4.29Å; I836-I896 HydrophobicContact CB-CG2 4.02Å; I836-I896 HydrophobicContact CD1-CD1 4.46Å; I836-I896 HydrophobicContact CG2-CG2 3.86Å; A838-I896 HydrophobicContact CB-CG2 3.6Å; L891-I896 HydrophobicContact CB-CB 4.43Å; L891-I896 HydrophobicContact CB-CD1 4.35Å; L891-I896 HydrophobicContact CB-CG2 4.43Å; L891-I896 HydrophobicContact CD2-CD1 3.53Å; L891-I896 WeakPolarHBondContact O-CB 3.2Å; V894-I896 HydrophobicContact CG2-CD1 3.97Å; V894-I896 HydrophobicContact CG2-CG1 4.14Å; I896-V898 HydrophobicContact CG2-CG2 4.19Å; I896-V898 PolarHBondContact O-N 3.12Å | ||
| 897 | H | 98 | Very high | 94.4 | Very high | 61 Ų | 61 | 44.4 Ų | 44.4 | 28% | 0.282 | 26% | 0.257 | S | S | . | . | B | Isolated β-bridge | trans | -76.6 | 109.6 | 179.5 | -59.4 | -76.7 | 0 | 0 | 0 | 110 | I836 V837 A838 L908 V912 | I836-H897 PolarHBondContact O-CD2 3.45Å; I836-H897 PolarHBondContact O-N 3.44Å; V837-H897 CarbonylContact C-O 3.53Å; V837-H897 VanDerWaalsContact CA-O 3.3Å; V837-H897 WeakPolarHBondContact CA-O 3.26Å; V837-H897 HydrophobicContact CG2-CB 4.14Å; A838-H897 PolarHBondContact N-O 2.86Å; H897-L908 HydrophobicContact CB-CD1 4.19Å; H897-L908 HydrophobicContact CB-CD2 4.16Å; H897-L908 HydrophobicContact CB-CG 4.36Å; H897-V912 HydrophobicContact CB-CG2 4.24Å |
| 898 | V | 97.6 | Very high | 94.5 | Very high | 35 Ų | 35 | 44.9 Ų | 44.9 | 21% | 0.212 | 26% | 0.259 | C | S | . | . | trans | -117.5 | 127.4 | -179.6 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | A838 W839 N888 L891 A892 I896 | A838-V898 WeakPolarHBondContact O-CA 3.43Å; W839-V898 HydrophobicContact CE3-CG1 3.99Å; W839-V898 HydrophobicContact CZ3-CG1 4.32Å; N888-V898 HydrophobicContact CB-CG1 4.05Å; L891-V898 HydrophobicContact CB-CG2 3.84Å; A892-V898 HydrophobicContact CB-CB 4.22Å; A892-V898 HydrophobicContact CB-CG2 4.06Å; I896-V898 HydrophobicContact CG2-CG2 4.19Å; I896-V898 PolarHBondContact O-N 3.12Å | ||
| 899 | P | 95.4 | Very high | 94.5 | Very high | 11 Ų | 11 | 44.4 Ų | 44.4 | 7% | 0.071 | 26% | 0.257 | C | S | . | . | trans | -75.9 | 167.1 | 176.5 | 32.9 | -33.4 | 0 | 0 | 0 | 111.3 | A838 W839 S901 E904 L905 L908 | A838-P899 WeakPolarHBondContact O-CD 3.32Å; W839-P899 HydrophobicContact CB-CG 4.19Å; W839-P899 HydrophobicContact CD2-CG 4.2Å; W839-P899 HydrophobicContact CE3-CG 3.85Å; W839-P899 HydrophobicContact CG-CG 4.37Å; W839-P899 WeakPolarHBondContact CZ3-O 3.4Å; P899-S901 VanDerWaalsContact C-N 3.33Å; P899-S901 WeakPolarHBondContact CB-O 3.39Å; P899-E904 HydrophobicContact CB-CB 4.03Å; P899-L905 HydrophobicContact CG-CB 4.47Å; P899-L905 HydrophobicContact CG-CD1 4.27Å; P899-L908 HydrophobicContact CB-CD2 3.85Å; P899-L908 HydrophobicContact CG-CD2 4.17Å | ||
| 900 | E | 90.7 | Very high | 94.6 | Very high | 153 Ų | 153 | 44.5 Ų | 44.5 | 72% | 0.715 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -73.6 | -28.4 | 174.6 | -65.9 | -169.4 | 175.7 | 0 | 0 | 112.6 | W839 E904 | W839-E900 WeakPolarHBondContact CH2-O 3.46Å; E900-E904 PolarHBondContact N-OE2 2.98Å |
| 901 | S | 90.2 | Very high | 94.7 | Very high | 7 Ų | 7 | 50 Ų | 50 | 5% | 0.049 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -151.8 | 168.2 | 177.3 | 67 | 0 | 0 | 0 | 0 | 110.5 | E342 P899 D903 E904 | E342-S901 WeakPolarHBondContact OE2-CB 3.36Å; P899-S901 VanDerWaalsContact C-N 3.33Å; P899-S901 WeakPolarHBondContact CB-O 3.39Å; S901-D903 PolarHBondContact O-N 3.15Å; S901-D903 PolarHBondContact OG-N 2.94Å; S901-E904 PolarHBondContact O-N 3.25Å |
| 902 | F | 91.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -59 | -27.7 | 175 | -173.1 | -94.2 | 0 | 0 | 0 | 112.9 | I335 M471 T472 M762 I769 L812 W839 E904 L905 | I335-F902 HydrophobicContact CD1-CD1 4.38Å; I335-F902 HydrophobicContact CD1-CD2 3.87Å; I335-F902 HydrophobicContact CD1-CE1 4.28Å; I335-F902 HydrophobicContact CD1-CE2 3.74Å; I335-F902 HydrophobicContact CD1-CG 4.19Å; I335-F902 HydrophobicContact CD1-CZ 3.97Å; I335-F902 HydrophobicContact CG1-CD2 4.3Å; I335-F902 HydrophobicContact CG1-CG 4.35Å; I335-F902 HydrophobicContact CG2-CB 3.98Å; I335-F902 HydrophobicContact CG2-CD1 3.56Å; I335-F902 HydrophobicContact CG2-CD2 4.47Å; I335-F902 HydrophobicContact CG2-CE1 4.19Å; I335-F902 HydrophobicContact CG2-CG 3.73Å; M471-F902 HydrophobicContact CE-CD1 4.29Å; M471-F902 HydrophobicContact CE-CE1 3.79Å; M471-F902 HydrophobicContact CE-CZ 4.36Å; T472-F902 HydrophobicContact CG2-CD1 4.31Å; M762-F902 HydrophobicContact CE-CE1 4.12Å; M762-F902 HydrophobicContact CE-CE2 3.87Å; M762-F902 HydrophobicContact CE-CZ 3.36Å; I769-F902 HydrophobicContact CD1-CE1 4.42Å; I769-F902 HydrophobicContact CD1-CZ 4.01Å; L812-F902 HydrophobicContact CD1-CD2 4.25Å; L812-F902 HydrophobicContact CD1-CE2 3.93Å; W839-F902 AromaticContact CD1-CD2 3.78Å; F902-E904 PolarHBondContact O-N 3.42Å; F902-L905 HydrophobicContact CD2-CD2 4.03Å; F902-L905 HydrophobicContact CE2-CD2 3.62Å; F902-L905 HydrophobicContact CZ-CD2 4.26Å; F902-L905 VanDerWaalsContact O-CB 3.3Å; F902-L905 WeakPolarHBondContact O-CB 3.28Å; F902-L905 PolarHBondContact O-N 3.1Å |
| 903 | D | 86.9 | Confident | 94.8 | Very high | 40 Ų | 40 | 48.2 Ų | 48.2 | 21% | 0.214 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -67.3 | -15.4 | -178.3 | -70.8 | 10.1 | 0 | 0 | 0 | 113.7 | T472 S901 | T472-D903 WeakPolarHBondContact CB-OD1 3.47Å; T472-D903 VanDerWaalsContact OG1-CG 3.29Å; T472-D903 PolarHBondContact OG1-OD1 3.19Å; S901-D903 PolarHBondContact O-N 3.15Å; S901-D903 PolarHBondContact OG-N 2.94Å |
| 904 | E | 91 | Very high | 94.9 | Very high | 73 Ų | 73 | 47 Ų | 47 | 34% | 0.341 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -107 | 1.2 | 180 | -61.5 | 179.4 | 175.9 | 0 | 0 | 112.8 | P899 E900 S901 F902 D906 L907 L908 | P899-E904 HydrophobicContact CB-CB 4.03Å; E900-E904 PolarHBondContact N-OE2 2.98Å; S901-E904 PolarHBondContact O-N 3.25Å; F902-E904 PolarHBondContact O-N 3.42Å; E904-D906 VanDerWaalsContact C-N 3.29Å; E904-D906 PolarHBondContact O-N 3.12Å; E904-L907 PolarHBondContact O-N 2.83Å; E904-L908 WeakPolarHBondContact O-CB 2.99Å; E904-L908 PolarHBondContact O-N 3.18Å |
| 905 | L | 94.1 | Very high | 95 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.2 | -39.7 | -176.9 | -179.4 | 63 | 0 | 0 | 0 | 111.7 | L766 L812 V837 W839 P899 F902 L908 I909 | L766-L905 HydrophobicContact CD2-CD2 4.12Å; L812-L905 HydrophobicContact CD1-CD2 4.48Å; V837-L905 HydrophobicContact CG1-CD1 3.75Å; W839-L905 HydrophobicContact CB-CD1 4.47Å; P899-L905 HydrophobicContact CG-CB 4.47Å; P899-L905 HydrophobicContact CG-CD1 4.27Å; F902-L905 HydrophobicContact CD2-CD2 4.03Å; F902-L905 HydrophobicContact CE2-CD2 3.62Å; F902-L905 HydrophobicContact CZ-CD2 4.26Å; F902-L905 VanDerWaalsContact O-CB 3.3Å; F902-L905 WeakPolarHBondContact O-CB 3.28Å; F902-L905 PolarHBondContact O-N 3.1Å; L905-L908 PolarHBondContact O-N 3.32Å; L905-I909 HydrophobicContact CD1-CD1 4.22Å; L905-I909 HydrophobicContact CD1-CG1 4.47Å; L905-I909 HydrophobicContact CG-CD1 3.98Å; L905-I909 VanDerWaalsContact O-CG1 3.24Å; L905-I909 WeakPolarHBondContact O-CG1 3.48Å; L905-I909 PolarHBondContact O-N 2.86Å |
| 906 | D | 92.9 | Very high | 95.1 | Very high | 30 Ų | 30 | 47 Ų | 47 | 16% | 0.16 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.8 | -48 | 179.4 | 67.6 | -29.5 | 0 | 0 | 0 | 112.1 | H470 I769 E904 L908 I909 R910 | H470-D906 IonicContact CD2-OD2 2.82Å; I769-D906 HydrophobicContact CG2-CB 3.76Å; E904-D906 VanDerWaalsContact C-N 3.29Å; E904-D906 PolarHBondContact O-N 3.12Å; D906-L908 VanDerWaalsContact C-N 3.31Å; D906-L908 PolarHBondContact O-N 3.01Å; D906-I909 PolarHBondContact O-N 3Å; D906-R910 PolarHBondContact O-N 3Å |
| 907 | L | 95 | Very high | 95 | Very high | 111 Ų | 111 | 48.7 Ų | 48.7 | 58% | 0.581 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -60.8 | -41 | 176 | -64.4 | 177.4 | 0 | 0 | 0 | 111.4 | E904 R910 R911 | E904-L907 PolarHBondContact O-N 2.83Å; L907-R910 PolarHBondContact O-N 2.64Å; L907-R911 WeakPolarHBondContact O-CB 3.22Å; L907-R911 PolarHBondContact O-N 3.24Å |
| 908 | L | 97.1 | Very high | 95 | Very high | 10 Ų | 10 | 54.1 Ų | 54.1 | 5% | 0.052 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.3 | -44.9 | 178 | -177.5 | 57.4 | 0 | 0 | 0 | 112 | V837 H897 P899 E904 L905 D906 R910 R911 V912 | V837-L908 HydrophobicContact CG1-CD2 3.82Å; V837-L908 HydrophobicContact CG1-CG 3.98Å; H897-L908 HydrophobicContact CB-CD1 4.19Å; H897-L908 HydrophobicContact CB-CD2 4.16Å; H897-L908 HydrophobicContact CB-CG 4.36Å; P899-L908 HydrophobicContact CB-CD2 3.85Å; P899-L908 HydrophobicContact CG-CD2 4.17Å; E904-L908 WeakPolarHBondContact O-CB 2.99Å; E904-L908 PolarHBondContact O-N 3.18Å; L905-L908 PolarHBondContact O-N 3.32Å; D906-L908 VanDerWaalsContact C-N 3.31Å; D906-L908 PolarHBondContact O-N 3.01Å; L908-R910 VanDerWaalsContact C-N 3.33Å; L908-R910 PolarHBondContact O-N 3.38Å; L908-R911 PolarHBondContact O-N 3.08Å; L908-V912 HydrophobicContact CD1-CG2 4.29Å; L908-V912 WeakPolarHBondContact O-CG2 3.4Å; L908-V912 PolarHBondContact O-N 3.46Å |
| 909 | I | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.2 | -48.7 | 174.8 | -73.1 | 166.1 | 0 | 0 | 0 | 110.1 | I769 I770 N773 M808 V810 V837 L905 D906 R911 V912 F913 | I769-I909 HydrophobicContact CG2-CD1 3.89Å; I770-I909 HydrophobicContact CG1-CD1 4.4Å; N773-I909 HydrophobicContact CB-CG2 4.18Å; M808-I909 HydrophobicContact CE-CG2 4.41Å; V810-I909 HydrophobicContact CG1-CD1 4.21Å; V810-I909 HydrophobicContact CG2-CD1 4.12Å; V810-I909 HydrophobicContact CG2-CG1 4.15Å; V837-I909 HydrophobicContact CB-CG1 4.47Å; V837-I909 HydrophobicContact CG1-CG1 4.09Å; L905-I909 HydrophobicContact CD1-CD1 4.22Å; L905-I909 HydrophobicContact CD1-CG1 4.47Å; L905-I909 HydrophobicContact CG-CD1 3.98Å; L905-I909 VanDerWaalsContact O-CG1 3.24Å; L905-I909 WeakPolarHBondContact O-CG1 3.48Å; L905-I909 PolarHBondContact O-N 2.86Å; D906-I909 PolarHBondContact O-N 3Å; I909-R911 PolarHBondContact O-N 2.98Å; I909-V912 PolarHBondContact O-N 3.46Å; I909-F913 WeakPolarHBondContact O-CB 3.38Å; I909-F913 PolarHBondContact O-N 2.97Å |
| 910 | R | 97.6 | Very high | 94.7 | Very high | 135 Ų | 135 | 60 Ų | 60 | 51% | 0.509 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.5 | -47.4 | 178.8 | -175.4 | 172.1 | 179.2 | 165.3 | 2.4 | 112.2 | N773 D906 L907 L908 V912 F913 D914 | N773-R910 HydrophobicContact CB-CB 4Å; N773-R910 WeakPolarHBondContact O-CA 3.3Å; D906-R910 PolarHBondContact O-N 3Å; L907-R910 PolarHBondContact O-N 2.64Å; L908-R910 VanDerWaalsContact C-N 3.33Å; L908-R910 PolarHBondContact O-N 3.38Å; R910-V912 PolarHBondContact O-N 2.78Å; R910-F913 PolarHBondContact O-N 3.43Å; R910-D914 IonicContact NE-OD2 2.8Å; R910-D914 WeakPolarHBondContact O-CB 3.48Å; R910-D914 VanDerWaalsContact O-CG 3.3Å; R910-D914 PolarHBondContact O-N 2.79Å |
| 911 | R | 97.9 | Very high | 94.6 | Very high | 134 Ų | 134 | 59.5 Ų | 59.5 | 51% | 0.506 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.5 | -50.4 | 179.8 | -177.8 | 178.5 | 68.3 | -171.8 | 4.7 | 111.4 | L907 L908 I909 D914 E915 | L907-R911 WeakPolarHBondContact O-CB 3.22Å; L907-R911 PolarHBondContact O-N 3.24Å; L908-R911 PolarHBondContact O-N 3.08Å; I909-R911 PolarHBondContact O-N 2.98Å; R911-D914 PolarHBondContact O-N 2.87Å; R911-E915 WeakPolarHBondContact CG-OE1 3.09Å; R911-E915 VanDerWaalsContact O-CG 3.27Å; R911-E915 WeakPolarHBondContact O-CG 3.28Å; R911-E915 PolarHBondContact O-N 2.86Å |
| 912 | V | 97.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.1 | -43.6 | -179.8 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | M808 P835 V837 H897 L908 I909 R910 E915 L916 | M808-V912 HydrophobicContact CE-CB 4.05Å; M808-V912 HydrophobicContact CE-CG1 3.77Å; M808-V912 HydrophobicContact SD-CG1 4.36Å; P835-V912 HydrophobicContact CB-CG1 3.99Å; V837-V912 HydrophobicContact CG2-CB 4.21Å; V837-V912 HydrophobicContact CG2-CG1 4.36Å; V837-V912 HydrophobicContact CG2-CG2 3.94Å; H897-V912 HydrophobicContact CB-CG2 4.24Å; L908-V912 HydrophobicContact CD1-CG2 4.29Å; L908-V912 WeakPolarHBondContact O-CG2 3.4Å; L908-V912 PolarHBondContact O-N 3.46Å; I909-V912 PolarHBondContact O-N 3.46Å; R910-V912 PolarHBondContact O-N 2.78Å; V912-E915 PolarHBondContact O-N 2.8Å; V912-L916 HydrophobicContact CG1-CD1 4.18Å; V912-L916 WeakPolarHBondContact O-CG 3.41Å; V912-L916 PolarHBondContact O-N 3.23Å |
| 913 | F | 97.8 | Very high | 94.7 | Very high | 13 Ų | 13 | 66.4 Ų | 66.4 | 6% | 0.057 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.2 | -49.8 | 176.2 | -176.8 | -95.9 | 0 | 0 | 0 | 112 | V753 D775 M808 I909 R910 E915 L916 V917 L922 P924 | V753-F913 HydrophobicContact CG2-CD2 4.37Å; D775-F913 HydrophobicContact CB-CE2 4.26Å; D775-F913 HydrophobicContact CB-CZ 3.78Å; D775-F913 WeakPolarHBondContact OD1-CE2 3.45Å; M808-F913 HydrophobicContact SD-CB 3.94Å; M808-F913 HydrophobicContact SD-CD2 4.1Å; I909-F913 WeakPolarHBondContact O-CB 3.38Å; I909-F913 PolarHBondContact O-N 2.97Å; R910-F913 PolarHBondContact O-N 3.43Å; F913-E915 VanDerWaalsContact C-N 3.25Å; F913-E915 PolarHBondContact O-N 3.29Å; F913-L916 PolarHBondContact O-N 3.45Å; F913-L916 VanDerWaalsContact O-N 3.11Å; F913-V917 HydrophobicContact CD1-CG2 4.08Å; F913-V917 HydrophobicContact CE1-CG2 3.7Å; F913-V917 HydrophobicContact CZ-CG2 3.96Å; F913-V917 WeakPolarHBondContact O-CG2 3.24Å; F913-V917 PolarHBondContact O-N 3.11Å; F913-L922 HydrophobicContact CD2-CD1 3.97Å; F913-L922 HydrophobicContact CD2-CD2 4.34Å; F913-L922 HydrophobicContact CE2-CD1 3.79Å; F913-L922 HydrophobicContact CE2-CD2 3.5Å; F913-L922 HydrophobicContact CE2-CG 4.35Å; F913-L922 HydrophobicContact CZ-CD2 3.78Å; F913-P924 HydrophobicContact CE1-CG 4.5Å; F913-P924 HydrophobicContact CZ-CB 4.43Å; F913-P924 HydrophobicContact CZ-CG 4.21Å |
| 914 | D | 97.7 | Very high | 94.9 | Very high | 66 Ų | 66 | 67.4 Ų | 67.4 | 35% | 0.353 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.3 | -31.3 | 179.1 | -73.4 | -18.7 | 0 | 0 | 0 | 112.2 | R910 R911 R918 | R910-D914 IonicContact NE-OD2 2.8Å; R910-D914 WeakPolarHBondContact O-CB 3.48Å; R910-D914 VanDerWaalsContact O-CG 3.3Å; R910-D914 PolarHBondContact O-N 2.79Å; R911-D914 PolarHBondContact O-N 2.87Å; D914-R918 WeakPolarHBondContact O-CB 3.36Å; D914-R918 VanDerWaalsContact O-CG 3.25Å; D914-R918 WeakPolarHBondContact O-CG 3.47Å; D914-R918 PolarHBondContact O-N 3.04Å; D914-R918 PolarHBondContact O-NE 2.85Å |
| 915 | E | 97 | Very high | 94.8 | Very high | 80 Ų | 80 | 66.4 Ų | 66.4 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.4 | -42.3 | 173.1 | -74.2 | 171.6 | -175.4 | 0 | 0 | 112.3 | R911 V912 F913 V917 R918 S919 | R911-E915 WeakPolarHBondContact CG-OE1 3.09Å; R911-E915 VanDerWaalsContact O-CG 3.27Å; R911-E915 WeakPolarHBondContact O-CG 3.28Å; R911-E915 PolarHBondContact O-N 2.86Å; V912-E915 PolarHBondContact O-N 2.8Å; F913-E915 VanDerWaalsContact C-N 3.25Å; F913-E915 PolarHBondContact O-N 3.29Å; E915-V917 VanDerWaalsContact C-N 3.34Å; E915-R918 PolarHBondContact O-N 3.27Å; E915-S919 WeakPolarHBondContact O-CB 3.45Å; E915-S919 PolarHBondContact O-N 3.07Å; E915-S919 PolarHBondContact O-OG 3.48Å |
| 916 | L | 96.5 | Very high | 94.4 | Very high | 10 Ų | 10 | 71.7 Ų | 71.7 | 5% | 0.052 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.2 | -37.2 | 176.5 | -66.2 | 167.9 | 0 | 0 | 0 | 112.4 | M808 P835 V912 F913 S919 C920 Q921 L922 | M808-L916 HydrophobicContact CB-CD1 3.82Å; M808-L916 HydrophobicContact CG-CD1 4.38Å; M808-L916 HydrophobicContact SD-CD1 4.29Å; P835-L916 HydrophobicContact CB-CD1 4.48Å; P835-L916 HydrophobicContact CG-CD1 3.96Å; P835-L916 HydrophobicContact CG-CD2 3.65Å; P835-L916 HydrophobicContact CG-CG 4.28Å; V912-L916 HydrophobicContact CG1-CD1 4.18Å; V912-L916 WeakPolarHBondContact O-CG 3.41Å; V912-L916 PolarHBondContact O-N 3.23Å; F913-L916 PolarHBondContact O-N 3.45Å; F913-L916 VanDerWaalsContact O-N 3.11Å; L916-S919 WeakPolarHBondContact CA-OG 3.28Å; L916-S919 PolarHBondContact O-OG 3.33Å; L916-C920 PolarHBondContact O-N 2.92Å; L916-Q921 HydrophobicContact CD2-CB 4Å; L916-Q921 PolarHBondContact O-N 3.12Å; L916-L922 HydrophobicContact CB-CB 3.76Å; L916-L922 HydrophobicContact CB-CD1 4.36Å; L916-L922 HydrophobicContact CD1-CD1 4.27Å; L916-L922 PolarHBondContact O-N 3.02Å; L916-L922 VanDerWaalsContact O-N 3.13Å |
| 917 | V | 96.4 | Very high | 94 | Very high | 47 Ų | 47 | 74.1 Ų | 74.1 | 29% | 0.285 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.1 | -47.5 | 174.1 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | F913 E915 S919 C920 L922 P924 | F913-V917 HydrophobicContact CD1-CG2 4.08Å; F913-V917 HydrophobicContact CE1-CG2 3.7Å; F913-V917 HydrophobicContact CZ-CG2 3.96Å; F913-V917 WeakPolarHBondContact O-CG2 3.24Å; F913-V917 PolarHBondContact O-N 3.11Å; E915-V917 VanDerWaalsContact C-N 3.34Å; V917-S919 VanDerWaalsContact C-N 3.28Å; V917-S919 PolarHBondContact O-N 3.43Å; V917-C920 PolarHBondContact O-N 3.22Å; V917-C920 VanDerWaalsContact O-N 3.1Å; V917-L922 HydrophobicContact CG2-CD2 3.93Å; V917-P924 HydrophobicContact CB-CG 4.49Å; V917-P924 HydrophobicContact CG1-CG 3.99Å; V917-P924 HydrophobicContact CG2-CG 3.6Å |
| 918 | R | 96.5 | Very high | 93.7 | Very high | 174 Ų | 174 | 73.5 Ų | 73.5 | 66% | 0.657 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.7 | -32.2 | 179 | -79.6 | 179.6 | -73.4 | 143.7 | -9.4 | 113.3 | D914 E915 C920 | D914-R918 WeakPolarHBondContact O-CB 3.36Å; D914-R918 VanDerWaalsContact O-CG 3.25Å; D914-R918 WeakPolarHBondContact O-CG 3.47Å; D914-R918 PolarHBondContact O-N 3.04Å; D914-R918 PolarHBondContact O-NE 2.85Å; E915-R918 PolarHBondContact O-N 3.27Å; R918-C920 VanDerWaalsContact C-N 3.28Å |
| 919 | S | 95.3 | Very high | 93.4 | Very high | 61 Ų | 61 | 78 Ų | 78 | 43% | 0.427 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 2.8 | 177 | 57.9 | 0 | 0 | 0 | 0 | 113.8 | E915 L916 V917 Q921 | E915-S919 WeakPolarHBondContact O-CB 3.45Å; E915-S919 PolarHBondContact O-N 3.07Å; E915-S919 PolarHBondContact O-OG 3.48Å; L916-S919 WeakPolarHBondContact CA-OG 3.28Å; L916-S919 PolarHBondContact O-OG 3.33Å; V917-S919 VanDerWaalsContact C-N 3.28Å; V917-S919 PolarHBondContact O-N 3.43Å; S919-Q921 PolarHBondContact O-N 2.6Å; S919-Q921 VanDerWaalsContact O-N 3.15Å; S919-Q921 WeakPolarHBondContact OG-CG 3.32Å |
| 920 | C | 92 | Very high | 93.2 | Very high | 109 Ų | 109 | 79.5 Ų | 79.5 | 74% | 0.736 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 20.2 | -175.3 | -58.6 | 0 | 0 | 0 | 0 | 114 | L916 V917 R918 L922 | L916-C920 PolarHBondContact O-N 2.92Å; V917-C920 PolarHBondContact O-N 3.22Å; V917-C920 VanDerWaalsContact O-N 3.1Å; R918-C920 VanDerWaalsContact C-N 3.28Å; C920-L922 VanDerWaalsContact C-N 3.33Å |
| 921 | Q | 89.7 | Confident | 93 | Very high | 142 Ų | 142 | 77.7 Ų | 77.7 | 66% | 0.664 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -79.7 | -20.7 | 173.8 | -67.5 | -176.7 | -2.1 | 0 | 0 | 111.8 | L916 S919 | L916-Q921 HydrophobicContact CD2-CB 4Å; L916-Q921 PolarHBondContact O-N 3.12Å; S919-Q921 PolarHBondContact O-N 2.6Å; S919-Q921 VanDerWaalsContact O-N 3.15Å; S919-Q921 WeakPolarHBondContact OG-CG 3.32Å |
| 922 | L | 91.2 | Very high | 92.6 | Very high | 10 Ų | 10 | 77.8 Ų | 77.8 | 5% | 0.052 | 41% | 0.411 | C | S | . | . | trans | -135.2 | 129.5 | 177.7 | -171.4 | 159.1 | 0 | 0 | 0 | 109.3 | F913 L916 V917 C920 P924 | F913-L922 HydrophobicContact CD2-CD1 3.97Å; F913-L922 HydrophobicContact CD2-CD2 4.34Å; F913-L922 HydrophobicContact CE2-CD1 3.79Å; F913-L922 HydrophobicContact CE2-CD2 3.5Å; F913-L922 HydrophobicContact CE2-CG 4.35Å; F913-L922 HydrophobicContact CZ-CD2 3.78Å; L916-L922 HydrophobicContact CB-CB 3.76Å; L916-L922 HydrophobicContact CB-CD1 4.36Å; L916-L922 HydrophobicContact CD1-CD1 4.27Å; L916-L922 PolarHBondContact O-N 3.02Å; L916-L922 VanDerWaalsContact O-N 3.13Å; V917-L922 HydrophobicContact CG2-CD2 3.93Å; C920-L922 VanDerWaalsContact C-N 3.33Å; L922-P924 HydrophobicContact CD2-CG 4.32Å | ||
| 923 | I | 91.5 | Very high | 92.2 | Very high | 146 Ų | 146 | 79.4 Ų | 79.4 | 75% | 0.749 | 42% | 0.421 | S | S | * | . | trans | -104.3 | 113.7 | 172.5 | -59.2 | 175.5 | 0 | 0 | 0 | 107.6 | K925 | I923-K925 PolarHBondContact O-N 3.31Š| ||
| 924 | P | 91.7 | Very high | 91.7 | Very high | 61 Ų | 61 | 82.2 Ų | 82.2 | 40% | 0.396 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 133.7 | -179.8 | -27.8 | 36.1 | 0 | 0 | 0 | 112.1 | D775 F913 V917 L922 | D775-P924 HydrophobicContact CB-CB 4.37Å; F913-P924 HydrophobicContact CE1-CG 4.5Å; F913-P924 HydrophobicContact CZ-CB 4.43Å; F913-P924 HydrophobicContact CZ-CG 4.21Å; V917-P924 HydrophobicContact CB-CG 4.49Å; V917-P924 HydrophobicContact CG1-CG 3.99Å; V917-P924 HydrophobicContact CG2-CG 3.6Å; L922-P924 HydrophobicContact CD2-CG 4.32Å |
| 925 | K | 88.6 | Confident | 91 | Very high | 52 Ų | 52 | 81.9 Ų | 81.9 | 23% | 0.226 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 140.5 | -179.6 | -63.4 | -176.3 | -169.9 | 179.5 | 0 | 111 | G751 S752 D775 E805 I923 | G751-K925 WeakPolarHBondContact O-CD 3.2Å; G751-K925 WeakPolarHBondContact O-CE 3.36Å; G751-K925 PolarHBondContact O-NZ 2.94Å; G751-K925 VanDerWaalsContact O-NZ 3.09Å; S752-K925 WeakPolarHBondContact OG-CE 3.38Å; D775-K925 PolarHBondContact OD2-N 3.11Å; E805-K925 PolarHBondContact O-NZ 2.78Å; E805-K925 VanDerWaalsContact O-NZ 3.1Å; E805-K925 WeakPolarHBondContact OE2-CE 3.4Å; E805-K925 IonicContact OE2-NZ 3.68Å; E805-K925 PolarHBondContact OE2-NZ 3.42Å; I923-K925 PolarHBondContact O-N 3.31Å |
| 926 | P | 84.9 | Confident | 90.5 | Very high | 113 Ų | 113 | 82.2 Ų | 82.2 | 73% | 0.734 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 139.6 | -179.5 | 27.7 | -33.9 | 0 | 0 | 0 | 111.5 | ||
| 927 | D | 85.6 | Confident | 89.9 | Confident | 80 Ų | 80 | 86.7 Ų | 86.7 | 43% | 0.428 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 148.3 | 173.6 | -143 | -15.5 | 0 | 0 | 0 | 110.5 | K746 Y748 R749 | K746-D927 IonicContact NZ-OD2 3.98Å; K746-D927 PolarHBondContact NZ-OD2 3.44Å; Y748-D927 PolarHBondContact OH-OD1 2.85Å; R749-D927 IonicContact CZ-OD1 3.31Å; R749-D927 IonicContact NE-OD1 2.75Å; R749-D927 PolarHBondContact NE-OD1 3.14Å; R749-D927 IonicContact NH2-OD1 2.86Å; R749-D927 PolarHBondContact NH2-OD1 2.82Å; R749-D927 IonicContact NH2-OD2 3.91Å; R749-D927 PolarHBondContact NH2-OD2 3.47Å |
| 928 | H | 88 | Confident | 89.3 | Confident | 98 Ų | 98 | 87.8 Ų | 87.8 | 45% | 0.454 | 47% | 0.472 | S | S | . | . | trans | -143.5 | 155.9 | 173.7 | 59.5 | -75.7 | 0 | 0 | 0 | 109.5 | Y748 R749 | Y748-H928 WeakPolarHBondContact CE2-O 3.29Å; Y748-H928 PolarHBondContact OH-O 3.12Å; R749-H928 WeakPolarHBondContact CB-CE1 3.47Å | ||
| 929 | P | 91 | Very high | 88.4 | Confident | 106 Ų | 106 | 80.3 Ų | 80.3 | 69% | 0.688 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 145.1 | 176.7 | 28 | -33.7 | 0 | 0 | 0 | 111.2 | ||
| 930 | P | 92.3 | Very high | 87.8 | Confident | 30 Ų | 30 | 77.8 Ų | 77.8 | 20% | 0.195 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 166.3 | 173.4 | 23 | -20.9 | 0 | 0 | 0 | 111.6 | A582 L743 Y748 | A582-P930 HydrophobicContact CB-CB 4.41Å; A582-P930 WeakPolarHBondContact O-CB 3.22Å; L743-P930 HydrophobicContact CD2-CB 3.93Å; L743-P930 HydrophobicContact CD2-CG 3.31Å; Y748-P930 HydrophobicContact CD1-CB 4.1Å; Y748-P930 HydrophobicContact CD1-CG 4.15Å; Y748-P930 HydrophobicContact CD2-CB 3.57Å; Y748-P930 HydrophobicContact CD2-CG 4.18Å; Y748-P930 HydrophobicContact CE1-CB 4.32Å; Y748-P930 HydrophobicContact CE1-CG 3.96Å; Y748-P930 HydrophobicContact CE2-CB 3.79Å; Y748-P930 HydrophobicContact CE2-CG 3.96Å; Y748-P930 HydrophobicContact CG-CB 3.72Å; Y748-P930 HydrophobicContact CG-CG 4.26Å |
| 931 | R | 93.3 | Very high | 87.3 | Confident | 98 Ų | 98 | 78.6 Ų | 78.6 | 37% | 0.37 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 135.2 | 163.1 | -63.7 | -171.6 | -177.2 | 155.8 | 3.1 | 109.3 | Y581 A582 G584 R585 D586 V933 | Y581-R931 HydrophobicContact CD1-CB 3.97Å; Y581-R931 HydrophobicContact CE1-CB 3.8Å; Y581-R931 WeakPolarHBondContact O-CB 3.46Å; Y581-R931 WeakPolarHBondContact O-CD 3.41Å; A582-R931 PolarHBondContact O-N 3.41Å; G584-R931 PolarHBondContact O-NH2 3.28Å; R585-R931 PolarHBondContact O-NH1 3Å; D586-R931 IonicContact OD1-NH2 2.81Å; R931-V933 PolarHBondContact O-N 2.93Å |
| 932 | N | 90.1 | Very high | 86.5 | Confident | 136 Ų | 136 | 75.9 Ų | 75.9 | 73% | 0.727 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 118.7 | -178.5 | -73.4 | -12.2 | 0 | 0 | 0 | 111.6 | Y581 | Y581-N932 WeakPolarHBondContact CE1-O 3.43Š|
| 933 | V | 88.7 | Confident | 85.7 | Confident | 36 Ų | 36 | 77.8 Ų | 77.8 | 22% | 0.218 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -92.8 | 124.5 | 170.7 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | D578 Y581 A582 T739 R931 | D578-V933 HydrophobicContact CB-CG1 4.28Å; Y581-V933 HydrophobicContact CD1-CG2 3.94Å; A582-V933 HydrophobicContact CB-CG2 3.95Å; T739-V933 HydrophobicContact CG2-CB 4.17Å; T739-V933 HydrophobicContact CG2-CG1 4.49Å; T739-V933 HydrophobicContact CG2-CG2 4.29Å; R931-V933 PolarHBondContact O-N 2.93Å |
| 934 | P | 87.6 | Confident | 85.2 | Confident | 71 Ų | 71 | 72.9 Ų | 72.9 | 46% | 0.461 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 144.8 | 175 | -22.1 | 32.9 | 0 | 0 | 0 | 111.7 | A609 | A609-P934 HydrophobicContact CB-CG 4Š|
| 935 | M | 84.5 | Confident | 84.8 | Confident | 59 Ų | 59 | 71.3 Ų | 71.3 | 29% | 0.291 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -72 | 135.2 | 175 | -171.1 | 177.9 | -64.9 | 0 | 0 | 110.8 | Y502 Y937 A940 L945 | Y502-M935 HydrophobicContact CD1-CE 4.22Å; Y502-M935 HydrophobicContact CD2-CE 3.34Å; Y502-M935 HydrophobicContact CE1-CE 4.24Å; Y502-M935 HydrophobicContact CE2-CE 3.37Å; Y502-M935 HydrophobicContact CG-CE 3.8Å; M935-Y937 PolarHBondContact O-N 3.48Å; M935-A940 HydrophobicContact CG-CB 4.22Å; M935-A940 HydrophobicContact SD-CB 3.82Å; M935-L945 HydrophobicContact CE-CD1 3.97Å; M935-L945 HydrophobicContact SD-CD1 3.59Å; M935-L945 VanDerWaalsContact SD-CD1 3.59Å |
| 936 | D | 85.4 | Confident | 84.7 | Confident | 88 Ų | 88 | 71.9 Ų | 71.9 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 134.6 | 173.7 | -88.6 | -49.9 | 0 | 0 | 0 | 111.9 | A938 W939 A940 | D936-A938 VanDerWaalsContact C-N 3.27Å; D936-A938 PolarHBondContact O-N 2.87Å; D936-W939 HydrophobicContact CB-CB 4.05Å; D936-W939 PolarHBondContact O-N 3.34Å; D936-W939 VanDerWaalsContact O-N 3.12Å; D936-A940 WeakPolarHBondContact O-CB 2.98Å; D936-A940 PolarHBondContact O-N 2.9Å |
| 937 | Y | 84.3 | Confident | 84.7 | Confident | 104 Ų | 104 | 77.9 Ų | 77.9 | 41% | 0.408 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.2 | -42 | 177.5 | 168.9 | -93.9 | 0 | 0 | 0 | 112.2 | M935 W939 A940 K941 I946 R948 | M935-Y937 PolarHBondContact O-N 3.48Å; Y937-W939 VanDerWaalsContact C-N 3.32Å; Y937-W939 PolarHBondContact O-N 3.09Å; Y937-A940 PolarHBondContact O-N 3.45Å; Y937-K941 HydrophobicContact CE1-CD 4.25Å; Y937-K941 VanDerWaalsContact O-CB 3.28Å; Y937-K941 WeakPolarHBondContact O-CB 3.33Å; Y937-K941 PolarHBondContact O-N 2.81Å; Y937-I946 HydrophobicContact CD2-CD1 3.24Å; Y937-I946 HydrophobicContact CE2-CD1 3.5Å; Y937-I946 VanDerWaalsContact CE2-CD1 3.5Å; Y937-I946 HydrophobicContact CG-CD1 4.11Å; Y937-R948 HydrophobicContact CE2-CB 4.21Å; Y937-R948 VanDerWaalsContact OH-CB 3.24Å; Y937-R948 WeakPolarHBondContact OH-CB 3.28Å; Y937-R948 VanDerWaalsContact OH-CD 3.27Å; Y937-R948 WeakPolarHBondContact OH-CD 3.13Å |
| 938 | A | 82.8 | Confident | 84.5 | Confident | 69 Ų | 69 | 81.7 Ų | 81.7 | 57% | 0.57 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.1 | -44.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | D936 K941 E942 | D936-A938 VanDerWaalsContact C-N 3.27Å; D936-A938 PolarHBondContact O-N 2.87Å; A938-K941 PolarHBondContact O-N 3.48Å; A938-E942 WeakPolarHBondContact O-CB 3.43Å; A938-E942 PolarHBondContact O-N 3.3Å |
| 939 | W | 78.3 | Confident | 84.4 | Confident | 17 Ų | 17 | 82.2 Ų | 82.2 | 6% | 0.064 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -68.7 | -45.5 | 179.3 | -173 | -125.3 | 0 | 0 | 0 | 112.3 | N443 D936 Y937 K941 E942 L943 | N443-W939 HydrophobicContact CB-CH2 4Å; N443-W939 HydrophobicContact CB-CZ3 3.74Å; N443-W939 VanDerWaalsContact CG-CZ3 3.46Å; N443-W939 WeakPolarHBondContact OD1-CZ3 3.03Å; D936-W939 HydrophobicContact CB-CB 4.05Å; D936-W939 PolarHBondContact O-N 3.34Å; D936-W939 VanDerWaalsContact O-N 3.12Å; Y937-W939 VanDerWaalsContact C-N 3.32Å; Y937-W939 PolarHBondContact O-N 3.09Å; W939-K941 VanDerWaalsContact C-N 3.25Å; W939-K941 PolarHBondContact O-N 2.76Å; W939-E942 HydrophobicContact CE3-CB 4.35Å; W939-E942 HydrophobicContact CZ3-CG 4.39Å; W939-E942 PolarHBondContact O-N 2.7Å; W939-L943 HydrophobicContact CD2-CD1 4.2Å; W939-L943 HydrophobicContact CD2-CG 4.17Å; W939-L943 HydrophobicContact CG-CD1 4.4Å; W939-L943 HydrophobicContact CH2-CD2 3.95Å; W939-L943 HydrophobicContact CH2-CG 4.33Å; W939-L943 HydrophobicContact CZ2-CD1 3.9Å; W939-L943 HydrophobicContact CZ2-CD2 3.81Å; W939-L943 HydrophobicContact CZ2-CG 3.96Å; W939-L943 WeakPolarHBondContact O-CB 3.49Å; W939-L943 WeakPolarHBondContact O-CG 3.49Å; W939-L943 PolarHBondContact O-N 3.04Å |
| 940 | A | 83.1 | Confident | 84 | Confident | 8 Ų | 8 | 82.7 Ų | 82.7 | 7% | 0.066 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61 | -35.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | M935 D936 Y937 G944 L945 I946 | M935-A940 HydrophobicContact CG-CB 4.22Å; M935-A940 HydrophobicContact SD-CB 3.82Å; D936-A940 WeakPolarHBondContact O-CB 2.98Å; D936-A940 PolarHBondContact O-N 2.9Å; Y937-A940 PolarHBondContact O-N 3.45Å; A940-G944 PolarHBondContact O-N 3.08Å; A940-L945 HydrophobicContact CB-CB 4.44Å; A940-L945 WeakPolarHBondContact O-CB 3.5Å; A940-L945 PolarHBondContact O-N 3.34Å; A940-I946 HydrophobicContact CB-CD1 3.67Å; A940-I946 HydrophobicContact CB-CG1 3.74Å; A940-I946 HydrophobicContact CB-CG2 4.21Å; A940-I946 PolarHBondContact O-N 2.88Å |
| 941 | K | 80.5 | Confident | 84 | Confident | 126 Ų | 126 | 85.5 Ų | 85.5 | 55% | 0.548 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -70.4 | -42.5 | 174.9 | -175.4 | -175.7 | 176.5 | -170.5 | 0 | 111.5 | Y937 A938 W939 G944 I946 | Y937-K941 HydrophobicContact CE1-CD 4.25Å; Y937-K941 VanDerWaalsContact O-CB 3.28Å; Y937-K941 WeakPolarHBondContact O-CB 3.33Å; Y937-K941 PolarHBondContact O-N 2.81Å; A938-K941 PolarHBondContact O-N 3.48Å; W939-K941 VanDerWaalsContact C-N 3.25Å; W939-K941 PolarHBondContact O-N 2.76Å; K941-G944 PolarHBondContact O-N 3.21Å; K941-I946 HydrophobicContact CB-CD1 4.48Å; K941-I946 HydrophobicContact CB-CG1 4.25Å |
| 942 | E | 73.5 | Confident | 83.9 | Confident | 85 Ų | 85 | 89.8 Ų | 89.8 | 40% | 0.397 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 178.6 | -171.5 | 167.7 | -166.7 | 0 | 0 | 111.7 | A938 W939 G944 | A938-E942 WeakPolarHBondContact O-CB 3.43Å; A938-E942 PolarHBondContact O-N 3.3Å; W939-E942 HydrophobicContact CE3-CB 4.35Å; W939-E942 HydrophobicContact CZ3-CG 4.39Å; W939-E942 PolarHBondContact O-N 2.7Å; E942-G944 PolarHBondContact O-N 3.37Å |
| 943 | L | 75.3 | Confident | 83.8 | Confident | 51 Ų | 51 | 89.1 Ų | 89.1 | 27% | 0.267 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -4.7 | 172.2 | -67.5 | -179.2 | 0 | 0 | 0 | 114 | W939 L945 | W939-L943 HydrophobicContact CD2-CD1 4.2Å; W939-L943 HydrophobicContact CD2-CG 4.17Å; W939-L943 HydrophobicContact CG-CD1 4.4Å; W939-L943 HydrophobicContact CH2-CD2 3.95Å; W939-L943 HydrophobicContact CH2-CG 4.33Å; W939-L943 HydrophobicContact CZ2-CD1 3.9Å; W939-L943 HydrophobicContact CZ2-CD2 3.81Å; W939-L943 HydrophobicContact CZ2-CG 3.96Å; W939-L943 WeakPolarHBondContact O-CB 3.49Å; W939-L943 WeakPolarHBondContact O-CG 3.49Å; W939-L943 PolarHBondContact O-N 3.04Å; L943-L945 VanDerWaalsContact C-N 3.26Å; L943-L945 HydrophobicContact CB-CD1 4.19Å; L943-L945 HydrophobicContact CB-CD2 4.35Å; L943-L945 HydrophobicContact CB-CG 3.79Å; L943-L945 HydrophobicContact CD1-CD1 4.08Å; L943-L945 PolarHBondContact O-N 3.32Å |
| 944 | G | 79.6 | Confident | 84 | Confident | 42 Ų | 42 | 91.5 Ų | 91.5 | 43% | 0.433 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 17.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A940 K941 E942 | A940-G944 PolarHBondContact O-N 3.08Å; K941-G944 PolarHBondContact O-N 3.21Å; E942-G944 PolarHBondContact O-N 3.37Å |
| 945 | L | 83.9 | Confident | 84.3 | Confident | 28 Ų | 28 | 92 Ų | 92 | 15% | 0.147 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -73.3 | -30.8 | -179.8 | -53.9 | -177.2 | 0 | 0 | 0 | 112.6 | S495 S498 M935 A940 L943 | S495-L945 VanDerWaalsContact CB-CD2 3.47Å; S495-L945 VanDerWaalsContact O-CD2 3.26Å; S495-L945 WeakPolarHBondContact O-CD2 3.28Å; S498-L945 WeakPolarHBondContact OG-CD2 3.5Å; M935-L945 HydrophobicContact CE-CD1 3.97Å; M935-L945 HydrophobicContact SD-CD1 3.59Å; M935-L945 VanDerWaalsContact SD-CD1 3.59Å; A940-L945 HydrophobicContact CB-CB 4.44Å; A940-L945 WeakPolarHBondContact O-CB 3.5Å; A940-L945 PolarHBondContact O-N 3.34Å; L943-L945 VanDerWaalsContact C-N 3.26Å; L943-L945 HydrophobicContact CB-CD1 4.19Å; L943-L945 HydrophobicContact CB-CD2 4.35Å; L943-L945 HydrophobicContact CB-CG 3.79Å; L943-L945 HydrophobicContact CD1-CD1 4.08Å; L943-L945 PolarHBondContact O-N 3.32Å |
| 946 | I | 86.7 | Confident | 84.8 | Confident | 64 Ų | 64 | 92.8 Ų | 92.8 | 33% | 0.328 | 49% | 0.49 | S | S | . | . | trans | -124.8 | 152.2 | 180 | 62.1 | 172.6 | 0 | 0 | 0 | 110.4 | Y937 A940 K941 | Y937-I946 HydrophobicContact CD2-CD1 3.24Å; Y937-I946 HydrophobicContact CE2-CD1 3.5Å; Y937-I946 VanDerWaalsContact CE2-CD1 3.5Å; Y937-I946 HydrophobicContact CG-CD1 4.11Å; A940-I946 HydrophobicContact CB-CD1 3.67Å; A940-I946 HydrophobicContact CB-CG1 3.74Å; A940-I946 HydrophobicContact CB-CG2 4.21Å; A940-I946 PolarHBondContact O-N 2.88Å; K941-I946 HydrophobicContact CB-CD1 4.48Å; K941-I946 HydrophobicContact CB-CG1 4.25Å | ||
| 947 | R | 84.7 | Confident | 85.3 | Confident | 240 Ų | 240 | 91 Ų | 91 | 91% | 0.906 | 48% | 0.484 | S | S | * | . | trans | -126.6 | 129.3 | 172.2 | -61.1 | -179.6 | -175.7 | 179.3 | 0.6 | 107.8 | ||||
| 948 | R | 81.5 | Confident | 85.6 | Confident | 159 Ų | 159 | 88.3 Ų | 88.3 | 60% | 0.6 | 48% | 0.477 | S | S | * | . | trans | -116.4 | 127.9 | 169.4 | -172.8 | 179.7 | 174.1 | 174.2 | -2.9 | 107.9 | Y937 V950 | Y937-R948 HydrophobicContact CE2-CB 4.21Å; Y937-R948 VanDerWaalsContact OH-CB 3.24Å; Y937-R948 WeakPolarHBondContact OH-CB 3.28Å; Y937-R948 VanDerWaalsContact OH-CD 3.27Å; Y937-R948 WeakPolarHBondContact OH-CD 3.13Å; R948-V950 PolarHBondContact O-N 3.03Å | ||
| 949 | P | 85.4 | Confident | 86 | Confident | 110 Ų | 110 | 91 Ų | 91 | 71% | 0.714 | 48% | 0.482 | S | S | * | . | trans | -59.3 | 138.3 | 173.2 | 25.6 | -32.8 | 0 | 0 | 0 | 109.3 | S951 | P949-S951 PolarHBondContact O-N 3.38Š| ||
| 950 | V | 83.4 | Confident | 86.3 | Confident | 116 Ų | 116 | 99.8 Ų | 99.8 | 70% | 0.703 | 52% | 0.515 | S | S | * | . | trans | -64.5 | 129 | 173.3 | -69.5 | 0 | 0 | 0 | 0 | 108.8 | R948 F952 | R948-V950 PolarHBondContact O-N 3.03Å; V950-F952 VanDerWaalsContact C-N 3.31Å | ||
| 951 | S | 91 | Very high | 86 | Confident | 88 Ų | 88 | 101.9 Ų | 101.9 | 62% | 0.615 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -78.8 | -19.2 | 179.5 | -57.4 | 0 | 0 | 0 | 0 | 112.7 | P949 | P949-S951 PolarHBondContact O-N 3.38Š|
| 952 | F | 90.9 | Very high | 85.9 | Confident | 189 Ų | 189 | 104 Ų | 104 | 83% | 0.829 | 55% | 0.549 | S | S | * | . | trans | -137.3 | 142.8 | -178 | -61.7 | -82.8 | 0 | 0 | 0 | 109.7 | V950 | V950-F952 VanDerWaalsContact C-N 3.31Š| ||
| 953 | T | 89.4 | Confident | 86.6 | Confident | 121 Ų | 121 | 103.2 Ų | 103.2 | 74% | 0.742 | 55% | 0.546 | S | S | * | . | trans | -123.3 | 120.4 | 172 | -58 | 0 | 0 | 0 | 0 | 107.9 | T955 | T953-T955 HydrophobicContact CG2-CG2 4.16Š| ||
| 954 | S | 92.5 | Very high | 87.5 | Confident | 87 Ų | 87 | 103.4 Ų | 103.4 | 61% | 0.608 | 55% | 0.547 | S | S | * | . | trans | -115.2 | 139.6 | 169.8 | -179 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 955 | T | 93 | Very high | 88.2 | Confident | 82 Ų | 82 | 103.9 Ų | 103.9 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | trans | -127.2 | 4.1 | -177.7 | 60.2 | 0 | 0 | 0 | 0 | 113.7 | T953 | T953-T955 HydrophobicContact CG2-CG2 4.16Š| ||
| 956 | I | 95.8 | Very high | 88.8 | Confident | 74 Ų | 74 | 105 Ų | 105 | 38% | 0.379 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -100.4 | -27.2 | -173.8 | 64.7 | 172.6 | 0 | 0 | 0 | 112.9 | A967 L988 K991 | I956-A967 PolarHBondContact O-N 2.88Å; I956-L988 HydrophobicContact CB-CD2 4.45Å; I956-L988 WeakPolarHBondContact CG2-O 3.36Å; I956-L988 WeakPolarHBondContact O-CD2 3.45Å; I956-K991 HydrophobicContact CG2-CG 4.46Å |
| 957 | C | 94.9 | Very high | 89.2 | Confident | 50 Ų | 50 | 103.7 Ų | 103.7 | 34% | 0.338 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 142.8 | -172.2 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | L964 L965 | C957-L964 WeakPolarHBondContact SG-CD1 3.48Å; C957-L965 CarbonylContact C-O 3.5Å; C957-L965 VanDerWaalsContact CA-O 3.24Å; C957-L965 WeakPolarHBondContact CA-O 3.38Å |
| 958 | D | 91.4 | Very high | 89.6 | Confident | 48 Ų | 48 | 95 Ų | 95 | 26% | 0.257 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 115.2 | 170.2 | -165.1 | -11.4 | 0 | 0 | 0 | 109.9 | R960 L965 | D958-R960 WeakPolarHBondContact OD1-CB 3.49Å; D958-R960 WeakPolarHBondContact OD1-CG 3.1Å; D958-R960 IonicContact OD1-CZ 3.69Å; D958-R960 PolarHBondContact OD1-N 3.21Å; D958-R960 VanDerWaalsContact OD1-N 3.12Å; D958-R960 IonicContact OD1-NE 3.43Å; D958-R960 PolarHBondContact OD1-NE 3.42Å; D958-R960 IonicContact OD1-NH2 2.79Å; D958-R960 PolarHBondContact OD1-NH2 2.85Å; D958-R960 IonicContact OD2-CZ 3.59Å; D958-R960 IonicContact OD2-NE 3.97Å; D958-R960 IonicContact OD2-NH2 3.15Å; D958-R960 PolarHBondContact OD2-NH2 3.08Å; D958-L965 HydrophobicContact CB-CB 4.25Å; D958-L965 HydrophobicContact CB-CD1 4.39Å; D958-L965 PolarHBondContact N-O 3.48Å; D958-L965 PolarHBondContact O-N 3.45Å |
| 959 | D | 92.3 | Very high | 90.2 | Very high | 126 Ų | 126 | 88.4 Ų | 88.4 | 67% | 0.674 | 50% | 0.502 | S | S | * | . | trans | -106.1 | 6 | -178.4 | 67.9 | -31.2 | 0 | 0 | 0 | 113 | L964 | D959-L964 HydrophobicContact CB-CD1 3.81Š| ||
| 960 | R | 83 | Confident | 90.6 | Very high | 201 Ų | 201 | 84.8 Ų | 84.8 | 76% | 0.758 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -86.3 | -15.6 | -174.4 | -56.7 | 169.9 | -63.9 | 171 | 4.5 | 113.4 | D958 | D958-R960 WeakPolarHBondContact OD1-CB 3.49Å; D958-R960 WeakPolarHBondContact OD1-CG 3.1Å; D958-R960 IonicContact OD1-CZ 3.69Å; D958-R960 PolarHBondContact OD1-N 3.21Å; D958-R960 VanDerWaalsContact OD1-N 3.12Å; D958-R960 IonicContact OD1-NE 3.43Å; D958-R960 PolarHBondContact OD1-NE 3.42Å; D958-R960 IonicContact OD1-NH2 2.79Å; D958-R960 PolarHBondContact OD1-NH2 2.85Å; D958-R960 IonicContact OD2-CZ 3.59Å; D958-R960 IonicContact OD2-NE 3.97Å; D958-R960 IonicContact OD2-NH2 3.15Å; D958-R960 PolarHBondContact OD2-NH2 3.08Å |
| 961 | G | 77.8 | Confident | 91.2 | Very high | 52 Ų | 52 | 81.3 Ų | 81.3 | 54% | 0.536 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -80.4 | -176.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E963 | G961-E963 PolarHBondContact O-N 2.9Š|
| 962 | E | 77.9 | Confident | 91.4 | Very high | 172 Ų | 172 | 79 Ų | 79 | 80% | 0.804 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -63 | -28.4 | 170.2 | -66.4 | -175.3 | 166.9 | 0 | 0 | 111.7 | R419 | R419-E962 IonicContact NH1-OE1 3.76Å; R419-E962 PolarHBondContact NH1-OE1 2.88Å |
| 963 | E | 88.8 | Confident | 91.7 | Very high | 68 Ų | 68 | 73 Ų | 73 | 32% | 0.318 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -131.7 | 145.2 | -179.3 | -174.5 | 163.4 | -148.6 | 0 | 0 | 111.2 | G961 P970 I971 S972 | G961-E963 PolarHBondContact O-N 2.9Å; E963-P970 HydrophobicContact CG-CB 4.2Å; E963-P970 WeakPolarHBondContact OE2-CB 3.26Å; E963-I971 HydrophobicContact CG-CG2 3.63Å; E963-I971 WeakPolarHBondContact OE1-CG2 3.49Å; E963-S972 VanDerWaalsContact OE1-CA 3.31Å; E963-S972 WeakPolarHBondContact OE1-CA 3.46Å; E963-S972 WeakPolarHBondContact OE1-CB 3.49Å; E963-S972 PolarHBondContact OE1-N 3.18Å; E963-S972 PolarHBondContact OE1-OG 2.99Å; E963-S972 PolarHBondContact OE2-OG 3.19Å |
| 964 | L | 93 | Very high | 91.9 | Very high | 55 Ų | 55 | 67.6 Ų | 67.6 | 29% | 0.288 | 38% | 0.38 | S | S | . | . | trans | -66.2 | 128 | 174.4 | -177.6 | 66.4 | 0 | 0 | 0 | 110.5 | C957 D959 Y966 I971 | C957-L964 WeakPolarHBondContact SG-CD1 3.48Å; D959-L964 HydrophobicContact CB-CD1 3.81Å; L964-Y966 HydrophobicContact CD1-CE1 4.34Å; L964-Y966 HydrophobicContact CD2-CD1 4.41Å; L964-Y966 HydrophobicContact CD2-CE1 3.56Å; L964-Y966 HydrophobicContact CG-CD1 4.27Å; L964-Y966 HydrophobicContact CG-CE1 3.85Å; L964-I971 HydrophobicContact CB-CB 4.25Å; L964-I971 HydrophobicContact CB-CG2 4.07Å; L964-I971 PolarHBondContact O-N 3.35Å | ||
| 965 | L | 95.1 | Very high | 92.1 | Very high | 51 Ų | 51 | 69.4 Ų | 69.4 | 27% | 0.267 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.1 | 177.2 | -52.1 | -177.8 | 0 | 0 | 0 | 111.1 | C957 D958 M969 P970 | C957-L965 CarbonylContact C-O 3.5Å; C957-L965 VanDerWaalsContact CA-O 3.24Å; C957-L965 WeakPolarHBondContact CA-O 3.38Å; D958-L965 HydrophobicContact CB-CB 4.25Å; D958-L965 HydrophobicContact CB-CD1 4.39Å; D958-L965 PolarHBondContact N-O 3.48Å; D958-L965 PolarHBondContact O-N 3.45Å; L965-M969 CarbonylContact C-O 3.57Å; L965-M969 WeakPolarHBondContact CA-O 3.4Å; L965-P970 HydrophobicContact CD2-CB 3.87Å; L965-P970 HydrophobicContact CD2-CG 3.82Å |
| 966 | Y | 97.1 | Very high | 92.2 | Very high | 52 Ų | 52 | 73 Ų | 73 | 20% | 0.204 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 110.1 | 169.1 | -70.9 | -14 | 0 | 0 | 0 | 110.3 | L964 G968 M969 I971 V974 V984 L988 | L964-Y966 HydrophobicContact CD1-CE1 4.34Å; L964-Y966 HydrophobicContact CD2-CD1 4.41Å; L964-Y966 HydrophobicContact CD2-CE1 3.56Å; L964-Y966 HydrophobicContact CG-CD1 4.27Å; L964-Y966 HydrophobicContact CG-CE1 3.85Å; Y966-G968 PolarHBondContact O-N 3.31Å; Y966-G968 VanDerWaalsContact O-N 3.12Å; Y966-M969 PolarHBondContact N-O 3.45Å; Y966-M969 WeakPolarHBondContact O-CB 3.34Å; Y966-M969 PolarHBondContact O-N 3.41Å; Y966-I971 HydrophobicContact CD2-CD1 4Å; Y966-I971 HydrophobicContact CE2-CD1 3.6Å; Y966-V974 HydrophobicContact CD2-CG2 4.49Å; Y966-V984 HydrophobicContact CD2-CG1 4.03Å; Y966-V984 HydrophobicContact CD2-CG2 4.39Å; Y966-V984 HydrophobicContact CE2-CG1 3.87Å; Y966-V984 HydrophobicContact CE2-CG2 4.42Å; Y966-L988 HydrophobicContact CD1-CD2 3.72Å; Y966-L988 HydrophobicContact CD2-CD2 4.49Å; Y966-L988 HydrophobicContact CE1-CD2 4.23Å; Y966-L988 HydrophobicContact CG-CD2 3.86Å; Y966-L988 HydrophobicContact CG-CG 4.42Å |
| 967 | A | 94.4 | Very high | 92.1 | Very high | 37 Ų | 37 | 72.9 Ų | 72.9 | 31% | 0.306 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.6 | 39.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I956 L987 K991 | I956-A967 PolarHBondContact O-N 2.88Å; A967-L987 HydrophobicContact CB-CB 4.19Å; A967-L987 HydrophobicContact CB-CD2 4.44Å; A967-L987 VanDerWaalsContact CB-O 3.28Å; A967-L987 WeakPolarHBondContact CB-O 3.42Å; A967-K991 HydrophobicContact CB-CB 4.17Å; A967-K991 HydrophobicContact CB-CG 4.3Å |
| 968 | G | 92.3 | Very high | 92.1 | Very high | 57 Ų | 57 | 77.4 Ų | 77.4 | 59% | 0.588 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | -8.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y966 | Y966-G968 PolarHBondContact O-N 3.31Å; Y966-G968 VanDerWaalsContact O-N 3.12Å |
| 969 | M | 94.4 | Very high | 92.2 | Very high | 21 Ų | 21 | 76.2 Ų | 76.2 | 10% | 0.103 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 124.8 | 173.6 | -174.4 | 173.1 | -78.5 | 0 | 0 | 110.5 | L965 Y966 Q973 V974 L979 L987 | L965-M969 CarbonylContact C-O 3.57Å; L965-M969 WeakPolarHBondContact CA-O 3.4Å; Y966-M969 PolarHBondContact N-O 3.45Å; Y966-M969 WeakPolarHBondContact O-CB 3.34Å; Y966-M969 PolarHBondContact O-N 3.41Å; M969-Q973 HydrophobicContact CE-CG 4.48Å; M969-Q973 HydrophobicContact CG-CB 3.95Å; M969-Q973 HydrophobicContact CG-CG 4.06Å; M969-Q973 HydrophobicContact SD-CB 4.49Å; M969-Q973 HydrophobicContact SD-CG 4.17Å; M969-V974 HydrophobicContact CB-CG2 4.33Å; M969-V974 HydrophobicContact CG-CG2 3.83Å; M969-V974 HydrophobicContact SD-CG2 3.77Å; M969-L979 HydrophobicContact CE-CD1 4.31Å; M969-L979 HydrophobicContact SD-CD1 3.48Å; M969-L979 WeakPolarHBondContact SD-CD1 3.34Å; M969-L987 HydrophobicContact CB-CD1 4.18Å; M969-L987 HydrophobicContact SD-CD1 4.09Å |
| 970 | P | 95.3 | Very high | 92.3 | Very high | 34 Ų | 34 | 71.7 Ų | 71.7 | 22% | 0.221 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 144.8 | 175 | -17.1 | 29.1 | 0 | 0 | 0 | 112.6 | E963 L965 S972 Q973 V974 | E963-P970 HydrophobicContact CG-CB 4.2Å; E963-P970 WeakPolarHBondContact OE2-CB 3.26Å; L965-P970 HydrophobicContact CD2-CB 3.87Å; L965-P970 HydrophobicContact CD2-CG 3.82Å; P970-S972 VanDerWaalsContact C-N 3.25Å; P970-S972 PolarHBondContact O-N 3Å; P970-Q973 WeakPolarHBondContact O-CB 3.28Å; P970-Q973 PolarHBondContact O-N 3.01Å; P970-V974 PolarHBondContact O-N 3.49Å |
| 971 | I | 95.8 | Very high | 92.9 | Very high | 43 Ų | 43 | 67.4 Ų | 67.4 | 22% | 0.221 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.6 | -33.1 | -176.7 | -168.4 | 66.9 | 0 | 0 | 0 | 112.4 | E963 L964 Y966 Q973 V974 I975 | E963-I971 HydrophobicContact CG-CG2 3.63Å; E963-I971 WeakPolarHBondContact OE1-CG2 3.49Å; L964-I971 HydrophobicContact CB-CB 4.25Å; L964-I971 HydrophobicContact CB-CG2 4.07Å; L964-I971 PolarHBondContact O-N 3.35Å; Y966-I971 HydrophobicContact CD2-CD1 4Å; Y966-I971 HydrophobicContact CE2-CD1 3.6Å; I971-Q973 VanDerWaalsContact C-N 3.34Å; I971-Q973 PolarHBondContact O-N 2.73Å; I971-V974 HydrophobicContact CD1-CB 4.24Å; I971-V974 HydrophobicContact CD1-CG1 4.43Å; I971-V974 WeakPolarHBondContact O-CB 3.32Å; I971-V974 PolarHBondContact O-N 3.26Å; I971-I975 HydrophobicContact CG1-CD1 4.32Å; I971-I975 WeakPolarHBondContact O-CG1 3.33Å; I971-I975 PolarHBondContact O-N 3.45Å |
| 972 | S | 95.4 | Very high | 93.8 | Very high | 39 Ų | 39 | 64.9 Ų | 64.9 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -53 | -51.9 | 169.6 | 50.9 | 0 | 0 | 0 | 0 | 110.7 | E963 P970 V974 I975 E976 | E963-S972 VanDerWaalsContact OE1-CA 3.31Å; E963-S972 WeakPolarHBondContact OE1-CA 3.46Å; E963-S972 WeakPolarHBondContact OE1-CB 3.49Å; E963-S972 PolarHBondContact OE1-N 3.18Å; E963-S972 PolarHBondContact OE1-OG 2.99Å; E963-S972 PolarHBondContact OE2-OG 3.19Å; P970-S972 VanDerWaalsContact C-N 3.25Å; P970-S972 PolarHBondContact O-N 3Å; S972-V974 VanDerWaalsContact C-N 3.34Å; S972-V974 PolarHBondContact O-N 3.3Å; S972-I975 PolarHBondContact O-N 2.95Å; S972-E976 WeakPolarHBondContact O-CB 3.12Å; S972-E976 VanDerWaalsContact O-CG 3.27Å; S972-E976 WeakPolarHBondContact O-CG 3.49Å; S972-E976 PolarHBondContact O-N 3.43Å |
| 973 | Q | 95.7 | Very high | 94.7 | Very high | 62 Ų | 62 | 56.9 Ų | 56.9 | 29% | 0.29 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64 | -36.3 | 178.1 | -169.7 | -180 | 0.5 | 0 | 0 | 112.4 | M969 P970 I971 I975 Q977 | M969-Q973 HydrophobicContact CE-CG 4.48Å; M969-Q973 HydrophobicContact CG-CB 3.95Å; M969-Q973 HydrophobicContact CG-CG 4.06Å; M969-Q973 HydrophobicContact SD-CB 4.49Å; M969-Q973 HydrophobicContact SD-CG 4.17Å; P970-Q973 WeakPolarHBondContact O-CB 3.28Å; P970-Q973 PolarHBondContact O-N 3.01Å; I971-Q973 VanDerWaalsContact C-N 3.34Å; I971-Q973 PolarHBondContact O-N 2.73Å; Q973-I975 VanDerWaalsContact C-N 3.3Å; Q973-I975 PolarHBondContact O-N 3.29Å; Q973-Q977 HydrophobicContact CG-CG 4.16Å; Q973-Q977 VanDerWaalsContact O-CB 3.28Å; Q973-Q977 WeakPolarHBondContact O-CB 3.2Å; Q973-Q977 VanDerWaalsContact O-CG 3.25Å; Q973-Q977 WeakPolarHBondContact O-CG 3.39Å; Q973-Q977 PolarHBondContact O-N 2.94Å |
| 974 | V | 95 | Very high | 95.1 | Very high | 8 Ų | 8 | 55.3 Ų | 55.3 | 5% | 0.048 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 174.9 | 175.5 | 0 | 0 | 0 | 0 | 111 | Y966 M969 P970 I971 S972 D978 L979 V984 L987 | Y966-V974 HydrophobicContact CD2-CG2 4.49Å; M969-V974 HydrophobicContact CB-CG2 4.33Å; M969-V974 HydrophobicContact CG-CG2 3.83Å; M969-V974 HydrophobicContact SD-CG2 3.77Å; P970-V974 PolarHBondContact O-N 3.49Å; I971-V974 HydrophobicContact CD1-CB 4.24Å; I971-V974 HydrophobicContact CD1-CG1 4.43Å; I971-V974 WeakPolarHBondContact O-CB 3.32Å; I971-V974 PolarHBondContact O-N 3.26Å; S972-V974 VanDerWaalsContact C-N 3.34Å; S972-V974 PolarHBondContact O-N 3.3Å; V974-D978 PolarHBondContact O-N 3.43Å; V974-L979 HydrophobicContact CG1-CB 4.31Å; V974-L979 HydrophobicContact CG1-CD1 4.38Å; V974-L979 HydrophobicContact CG2-CD1 4.45Å; V974-L979 PolarHBondContact O-N 3.01Å; V974-V984 HydrophobicContact CG1-CG2 3.74Å; V974-L987 HydrophobicContact CG2-CD1 3.86Å |
| 975 | I | 95.5 | Very high | 95.2 | Very high | 125 Ų | 125 | 53.2 Ų | 53.2 | 64% | 0.641 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -74.7 | -48.1 | 178.9 | -64.8 | 169.9 | 0 | 0 | 0 | 111 | I971 S972 Q973 Q977 D978 | I971-I975 HydrophobicContact CG1-CD1 4.32Å; I971-I975 WeakPolarHBondContact O-CG1 3.33Å; I971-I975 PolarHBondContact O-N 3.45Å; S972-I975 PolarHBondContact O-N 2.95Å; Q973-I975 VanDerWaalsContact C-N 3.3Å; Q973-I975 PolarHBondContact O-N 3.29Å; I975-Q977 PolarHBondContact O-N 3.08Å; I975-D978 PolarHBondContact O-N 3.32Å |
| 976 | E | 95.8 | Very high | 95.3 | Very high | 157 Ų | 157 | 50.8 Ų | 50.8 | 73% | 0.734 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.2 | -30.7 | -179.8 | -76.2 | 174.8 | -178 | 0 | 0 | 112.6 | S972 | S972-E976 WeakPolarHBondContact O-CB 3.12Å; S972-E976 VanDerWaalsContact O-CG 3.27Å; S972-E976 WeakPolarHBondContact O-CG 3.49Å; S972-E976 PolarHBondContact O-N 3.43Å |
| 977 | Q | 94.1 | Very high | 95.3 | Very high | 73 Ų | 73 | 48.7 Ų | 48.7 | 34% | 0.341 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 9.4 | -179.9 | -58.2 | -169.9 | 10.1 | 0 | 0 | 113.6 | Q973 I975 L979 | Q973-Q977 HydrophobicContact CG-CG 4.16Å; Q973-Q977 VanDerWaalsContact O-CB 3.28Å; Q973-Q977 WeakPolarHBondContact O-CB 3.2Å; Q973-Q977 VanDerWaalsContact O-CG 3.25Å; Q973-Q977 WeakPolarHBondContact O-CG 3.39Å; Q973-Q977 PolarHBondContact O-N 2.94Å; I975-Q977 PolarHBondContact O-N 3.08Å; Q977-L979 VanDerWaalsContact C-N 3.25Å; Q977-L979 HydrophobicContact CB-CD2 4.18Å; Q977-L979 HydrophobicContact CB-CG 4.24Å; Q977-L979 PolarHBondContact O-N 3.19Å; Q977-L979 VanDerWaalsContact O-N 3.15Å |
| 978 | D | 93.9 | Very high | 95.4 | Very high | 144 Ų | 144 | 48.8 Ų | 48.8 | 77% | 0.77 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.8 | 45.9 | 176.8 | -162.2 | 27.4 | 0 | 0 | 0 | 113.6 | V974 I975 G980 | V974-D978 PolarHBondContact O-N 3.43Å; I975-D978 PolarHBondContact O-N 3.32Å; D978-G980 PolarHBondContact O-N 2.99Å; D978-G980 VanDerWaalsContact O-N 3.12Å |
| 979 | L | 93.4 | Very high | 95.6 | Very high | 23 Ų | 23 | 50 Ų | 50 | 12% | 0.12 | 26% | 0.262 | C | S | . | . | trans | -66.9 | -15.7 | -173.6 | -66.4 | -172.3 | 0 | 0 | 0 | 113.7 | M969 V974 Q977 G983 L987 | M969-L979 HydrophobicContact CE-CD1 4.31Å; M969-L979 HydrophobicContact SD-CD1 3.48Å; M969-L979 WeakPolarHBondContact SD-CD1 3.34Å; V974-L979 HydrophobicContact CG1-CB 4.31Å; V974-L979 HydrophobicContact CG1-CD1 4.38Å; V974-L979 HydrophobicContact CG2-CD1 4.45Å; V974-L979 PolarHBondContact O-N 3.01Å; Q977-L979 VanDerWaalsContact C-N 3.25Å; Q977-L979 HydrophobicContact CB-CD2 4.18Å; Q977-L979 HydrophobicContact CB-CG 4.24Å; Q977-L979 PolarHBondContact O-N 3.19Å; Q977-L979 VanDerWaalsContact O-N 3.15Å; L979-G983 VanDerWaalsContact O-CA 3.24Å; L979-G983 WeakPolarHBondContact O-CA 3.23Å; L979-G983 PolarHBondContact O-N 2.77Å; L979-L987 HydrophobicContact CD1-CD1 4.14Å | ||
| 980 | G | 94.4 | Very high | 95.6 | Very high | 31 Ų | 31 | 49.1 Ų | 49.1 | 32% | 0.32 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | 64.5 | -174.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D978 G982 G983 V984 | D978-G980 PolarHBondContact O-N 2.99Å; D978-G980 VanDerWaalsContact O-N 3.12Å; G980-G982 VanDerWaalsContact C-N 3.3Å; G980-G983 PolarHBondContact O-N 2.91Å; G980-V984 WeakPolarHBondContact O-CG2 3.42Å; G980-V984 PolarHBondContact O-N 3.34Å; G980-V984 VanDerWaalsContact O-N 3.13Å |
| 981 | I | 96.5 | Very high | 95.5 | Very high | 111 Ų | 111 | 52.6 Ų | 52.6 | 57% | 0.569 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -69 | -36.1 | 178.4 | -66.8 | 172.6 | 0 | 0 | 0 | 109.7 | G983 V984 L985 E1003 L1006 | I981-G983 VanDerWaalsContact C-N 3.33Å; I981-G983 PolarHBondContact O-N 2.99Å; I981-V984 PolarHBondContact O-N 2.92Å; I981-L985 HydrophobicContact CG2-CD1 4.22Å; I981-L985 HydrophobicContact CG2-CG 4.42Å; I981-L985 WeakPolarHBondContact O-CG 3.3Å; I981-L985 PolarHBondContact O-N 3.18Å; I981-E1003 PolarHBondContact N-OE1 3.4Å; I981-L1006 HydrophobicContact CG2-CD1 3.88Å |
| 982 | G | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G980 L985 G986 T999 E1003 | G980-G982 VanDerWaalsContact C-N 3.3Å; G982-L985 PolarHBondContact O-N 2.89Å; G982-G986 PolarHBondContact O-N 3.28Å; G982-T999 WeakPolarHBondContact CA-O 3.44Å; G982-E1003 PolarHBondContact N-OE1 3.29Å |
| 983 | G | 96.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.7 | -38.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L979 G980 I981 L985 G986 L987 | L979-G983 VanDerWaalsContact O-CA 3.24Å; L979-G983 WeakPolarHBondContact O-CA 3.23Å; L979-G983 PolarHBondContact O-N 2.77Å; G980-G983 PolarHBondContact O-N 2.91Å; I981-G983 VanDerWaalsContact C-N 3.33Å; I981-G983 PolarHBondContact O-N 2.99Å; G983-L985 VanDerWaalsContact C-N 3.33Å; G983-L985 PolarHBondContact O-N 3.42Å; G983-G986 VanDerWaalsContact O-CA 3.3Å; G983-G986 WeakPolarHBondContact O-CA 3.48Å; G983-G986 PolarHBondContact O-N 2.9Å; G983-G986 VanDerWaalsContact O-N 3.12Å; G983-L987 WeakPolarHBondContact O-CG 3.48Å; G983-L987 PolarHBondContact O-N 2.98Å |
| 984 | V | 97.1 | Very high | 95.2 | Very high | 35 Ų | 35 | 57 Ų | 57 | 21% | 0.212 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 172.6 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | Y966 V974 G980 I981 G986 L987 L988 | Y966-V984 HydrophobicContact CD2-CG1 4.03Å; Y966-V984 HydrophobicContact CD2-CG2 4.39Å; Y966-V984 HydrophobicContact CE2-CG1 3.87Å; Y966-V984 HydrophobicContact CE2-CG2 4.42Å; V974-V984 HydrophobicContact CG1-CG2 3.74Å; G980-V984 WeakPolarHBondContact O-CG2 3.42Å; G980-V984 PolarHBondContact O-N 3.34Å; G980-V984 VanDerWaalsContact O-N 3.13Å; I981-V984 PolarHBondContact O-N 2.92Å; V984-G986 VanDerWaalsContact C-N 3.33Å; V984-L987 PolarHBondContact O-N 3.43Å; V984-L988 HydrophobicContact CG1-CD1 3.66Å; V984-L988 HydrophobicContact CG1-CG 4.14Å; V984-L988 WeakPolarHBondContact O-CB 3.48Å; V984-L988 WeakPolarHBondContact O-CG 3.3Å; V984-L988 PolarHBondContact O-N 3.33Å |
| 985 | L | 96.8 | Very high | 95.1 | Very high | 12 Ų | 12 | 57.6 Ų | 57.6 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 171.4 | -73.3 | 174.1 | 0 | 0 | 0 | 111.8 | I981 G982 G983 L987 L988 W989 L1002 L1006 L1175 | I981-L985 HydrophobicContact CG2-CD1 4.22Å; I981-L985 HydrophobicContact CG2-CG 4.42Å; I981-L985 WeakPolarHBondContact O-CG 3.3Å; I981-L985 PolarHBondContact O-N 3.18Å; G982-L985 PolarHBondContact O-N 2.89Å; G983-L985 VanDerWaalsContact C-N 3.33Å; G983-L985 PolarHBondContact O-N 3.42Å; L985-L987 VanDerWaalsContact C-N 3.35Å; L985-L987 PolarHBondContact O-N 3.4Å; L985-L988 PolarHBondContact O-N 2.97Å; L985-W989 HydrophobicContact CD2-CD2 3.82Å; L985-W989 HydrophobicContact CD2-CE3 4.37Å; L985-W989 HydrophobicContact CD2-CG 4.26Å; L985-W989 HydrophobicContact CD2-CH2 4.18Å; L985-W989 HydrophobicContact CD2-CZ2 3.62Å; L985-W989 VanDerWaalsContact O-CB 3.31Å; L985-W989 WeakPolarHBondContact O-CB 3.49Å; L985-W989 PolarHBondContact O-N 3.47Å; L985-L1002 HydrophobicContact CB-CD1 4.34Å; L985-L1006 HydrophobicContact CD1-CD1 3.84Å; L985-L1175 HydrophobicContact CD1-CD2 4.06Å; L985-L1175 HydrophobicContact CD2-CD2 3.68Å; L985-L1175 HydrophobicContact CG-CD2 4.44Å |
| 986 | G | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -44.5 | -57.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G982 G983 V984 F990 K991 R992 | G982-G986 PolarHBondContact O-N 3.28Å; G983-G986 VanDerWaalsContact O-CA 3.3Å; G983-G986 WeakPolarHBondContact O-CA 3.48Å; G983-G986 PolarHBondContact O-N 2.9Å; G983-G986 VanDerWaalsContact O-N 3.12Å; V984-G986 VanDerWaalsContact C-N 3.33Å; G986-F990 CarbonylContact O-C 3.6Å; G986-F990 WeakPolarHBondContact O-CA 3.21Å; G986-F990 VanDerWaalsContact O-CB 3.28Å; G986-F990 WeakPolarHBondContact O-CB 3.23Å; G986-F990 PolarHBondContact O-N 3.33Å; G986-F990 VanDerWaalsContact O-N 3.15Å; G986-K991 PolarHBondContact O-N 3.31Å; G986-K991 VanDerWaalsContact O-N 3.1Å; G986-R992 CarbonylContact C-O 3.5Å; G986-R992 WeakPolarHBondContact CA-O 3.44Å; G986-R992 PolarHBondContact O-N 3.05Å; G986-R992 VanDerWaalsContact O-O 3.06Å |
| 987 | L | 96.6 | Very high | 95 | Very high | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -68 | -48.5 | -177.9 | -63.6 | 173.3 | 0 | 0 | 0 | 112 | A967 M969 V974 L979 G983 V984 L985 K991 R992 | A967-L987 HydrophobicContact CB-CB 4.19Å; A967-L987 HydrophobicContact CB-CD2 4.44Å; A967-L987 VanDerWaalsContact CB-O 3.28Å; A967-L987 WeakPolarHBondContact CB-O 3.42Å; M969-L987 HydrophobicContact CB-CD1 4.18Å; M969-L987 HydrophobicContact SD-CD1 4.09Å; V974-L987 HydrophobicContact CG2-CD1 3.86Å; L979-L987 HydrophobicContact CD1-CD1 4.14Å; G983-L987 WeakPolarHBondContact O-CG 3.48Å; G983-L987 PolarHBondContact O-N 2.98Å; V984-L987 PolarHBondContact O-N 3.43Å; L985-L987 VanDerWaalsContact C-N 3.35Å; L985-L987 PolarHBondContact O-N 3.4Å; L987-K991 WeakPolarHBondContact O-CA 3.35Å; L987-K991 PolarHBondContact O-N 3.18Å; L987-R992 PolarHBondContact N-O 2.8Å |
| 988 | L | 97 | Very high | 95.1 | Very high | 39 Ų | 39 | 50.5 Ų | 50.5 | 20% | 0.204 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -77.7 | -38.4 | -171.6 | -65.6 | -179.7 | 0 | 0 | 0 | 113.6 | I956 Y966 V984 L985 | I956-L988 HydrophobicContact CB-CD2 4.45Å; I956-L988 WeakPolarHBondContact CG2-O 3.36Å; I956-L988 WeakPolarHBondContact O-CD2 3.45Å; Y966-L988 HydrophobicContact CD1-CD2 3.72Å; Y966-L988 HydrophobicContact CD2-CD2 4.49Å; Y966-L988 HydrophobicContact CE1-CD2 4.23Å; Y966-L988 HydrophobicContact CG-CD2 3.86Å; Y966-L988 HydrophobicContact CG-CG 4.42Å; V984-L988 HydrophobicContact CG1-CD1 3.66Å; V984-L988 HydrophobicContact CG1-CG 4.14Å; V984-L988 WeakPolarHBondContact O-CB 3.48Å; V984-L988 WeakPolarHBondContact O-CG 3.3Å; V984-L988 PolarHBondContact O-N 3.33Å; L985-L988 PolarHBondContact O-N 2.97Å |
| 989 | W | 96 | Very high | 95.1 | Very high | 83 Ų | 83 | 44.3 Ų | 44.3 | 31% | 0.314 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -90.7 | -40.5 | -176.2 | -66.8 | 12.2 | 0 | 0 | 0 | 111.4 | L985 Y1163 T1168 L1172 L1175 | L985-W989 HydrophobicContact CD2-CD2 3.82Å; L985-W989 HydrophobicContact CD2-CE3 4.37Å; L985-W989 HydrophobicContact CD2-CG 4.26Å; L985-W989 HydrophobicContact CD2-CH2 4.18Å; L985-W989 HydrophobicContact CD2-CZ2 3.62Å; L985-W989 VanDerWaalsContact O-CB 3.31Å; L985-W989 WeakPolarHBondContact O-CB 3.49Å; L985-W989 PolarHBondContact O-N 3.47Å; W989-Y1163 WeakPolarHBondContact O-CE1 3.21Å; W989-T1168 HydrophobicContact CE3-CG2 3.93Å; W989-T1168 HydrophobicContact CZ3-CG2 4.27Å; W989-L1172 HydrophobicContact CZ3-CB 4.18Å; W989-L1172 HydrophobicContact CZ3-CD1 4.39Å; W989-L1175 HydrophobicContact CH2-CB 4.36Å; W989-L1175 HydrophobicContact CH2-CD2 4.13Å; W989-L1175 HydrophobicContact CZ2-CD2 3.89Å |
| 990 | F | 94.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -103.8 | -14.7 | -173.8 | -53.6 | -68.5 | 0 | 0 | 0 | 113.3 | G986 R992 L994 L1002 M1145 L1149 F1155 Y1163 T1168 | G986-F990 CarbonylContact O-C 3.6Å; G986-F990 WeakPolarHBondContact O-CA 3.21Å; G986-F990 VanDerWaalsContact O-CB 3.28Å; G986-F990 WeakPolarHBondContact O-CB 3.23Å; G986-F990 PolarHBondContact O-N 3.33Å; G986-F990 VanDerWaalsContact O-N 3.15Å; F990-R992 HydrophobicContact CB-CB 4.33Å; F990-R992 HydrophobicContact CB-CG 4.4Å; F990-R992 WeakPolarHBondContact O-CG 3.36Å; F990-R992 PolarHBondContact O-N 3.34Å; F990-L994 HydrophobicContact CD2-CD1 3.94Å; F990-L994 HydrophobicContact CE2-CD1 4.32Å; F990-L1002 HydrophobicContact CE2-CD1 4.06Å; F990-M1145 HydrophobicContact CE1-CE 3.98Å; F990-M1145 HydrophobicContact CE2-CE 4.29Å; F990-M1145 HydrophobicContact CZ-CE 3.42Å; F990-M1145 VanDerWaalsContact CZ-CE 3.42Å; F990-L1149 HydrophobicContact CD1-CD2 4.38Å; F990-L1149 HydrophobicContact CE1-CD2 4.05Å; F990-F1155 HydrophobicContact CB-CE1 3.76Å; F990-F1155 HydrophobicContact CB-CZ 3.8Å; F990-F1155 AromaticContact CD1-CE1 3.76Å; F990-F1155 HydrophobicContact CD1-CE1 3.76Å; F990-F1155 AromaticContact CD1-CZ 3.83Å; F990-F1155 HydrophobicContact CD1-CZ 3.83Å; F990-F1155 AromaticContact CG-CE1 3.97Å; F990-F1155 HydrophobicContact CG-CE1 3.97Å; F990-F1155 AromaticContact CG-CZ 3.8Å; F990-F1155 HydrophobicContact CG-CZ 3.8Å; F990-Y1163 WeakPolarHBondContact CA-OH 3.18Å; F990-Y1163 AromaticContact CD1-CD1 3.81Å; F990-Y1163 HydrophobicContact CD1-CD1 3.81Å; F990-Y1163 AromaticContact CD1-CD2 3.99Å; F990-Y1163 HydrophobicContact CD1-CD2 3.99Å; F990-Y1163 AromaticContact CD1-CE1 3.72Å; F990-Y1163 HydrophobicContact CD1-CE1 3.72Å; F990-Y1163 AromaticContact CD1-CE2 3.91Å; F990-Y1163 HydrophobicContact CD1-CE2 3.91Å; F990-Y1163 AromaticContact CD1-CG 3.97Å; F990-Y1163 HydrophobicContact CD1-CG 3.97Å; F990-Y1163 AromaticContact CD1-CZ 3.79Å; F990-Y1163 AromaticContact CE1-CD1 3.9Å; F990-Y1163 HydrophobicContact CE1-CD1 3.9Å; F990-Y1163 HydrophobicContact CE1-CD2 4.4Å; F990-Y1163 HydrophobicContact CE1-CE1 4.25Å; F990-Y1163 HydrophobicContact CE1-CG 4.01Å; F990-Y1163 PolarHBondContact O-OH 2.98Å; F990-T1168 HydrophobicContact CE1-CG2 3.74Å; F990-T1168 HydrophobicContact CZ-CG2 3.62Å |
| 991 | K | 94.5 | Very high | 95.4 | Very high | 106 Ų | 106 | 46 Ų | 46 | 46% | 0.461 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 54.6 | 31.6 | -170.6 | -56.4 | 175.2 | -68 | -179.4 | 0 | 112.2 | I956 A967 G986 L987 | I956-K991 HydrophobicContact CG2-CG 4.46Å; A967-K991 HydrophobicContact CB-CB 4.17Å; A967-K991 HydrophobicContact CB-CG 4.3Å; G986-K991 PolarHBondContact O-N 3.31Å; G986-K991 VanDerWaalsContact O-N 3.1Å; L987-K991 WeakPolarHBondContact O-CA 3.35Å; L987-K991 PolarHBondContact O-N 3.18Å |
| 992 | R | 93.1 | Very high | 95.4 | Very high | 100 Ų | 100 | 40.8 Ų | 40.8 | 38% | 0.377 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -129.4 | 139.6 | -179.5 | -61.8 | -61.7 | -175.7 | 168.5 | 1.7 | 109.7 | G986 L987 F990 L994 F1155 E1159 | G986-R992 CarbonylContact C-O 3.5Å; G986-R992 WeakPolarHBondContact CA-O 3.44Å; G986-R992 PolarHBondContact O-N 3.05Å; G986-R992 VanDerWaalsContact O-O 3.06Å; L987-R992 PolarHBondContact N-O 2.8Å; F990-R992 HydrophobicContact CB-CB 4.33Å; F990-R992 HydrophobicContact CB-CG 4.4Å; F990-R992 WeakPolarHBondContact O-CG 3.36Å; F990-R992 PolarHBondContact O-N 3.34Å; R992-L994 HydrophobicContact CB-CD2 4.17Å; R992-L994 PolarHBondContact O-N 3.16Å; R992-L994 VanDerWaalsContact O-N 3.12Å; R992-F1155 HydrophobicContact CG-CE1 4.22Å; R992-F1155 HydrophobicContact CG-CZ 4.47Å; R992-E1159 IonicContact CZ-OE1 2.78Å; R992-E1159 IonicContact NH2-OE1 3.78Å; R992-E1159 PolarHBondContact NH2-OE1 2.88Å; R992-E1159 IonicContact NH2-OE2 3.67Å; R992-E1159 PolarHBondContact NH2-OE2 3.47Å |
| 993 | R | 93.1 | Very high | 95.5 | Very high | 126 Ų | 126 | 42.9 Ų | 42.9 | 48% | 0.475 | 19% | 0.191 | S | C | . | . | trans | -77.2 | 95.4 | 162.5 | -175.2 | -176 | 178.5 | 156.7 | 7.9 | 108.2 | Y1154 | R993-Y1154 WeakPolarHBondContact O-CE1 3.14Š| ||
| 994 | L | 93.2 | Very high | 95.5 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | trans | -67.8 | 152.7 | 178.1 | -65.5 | -178.7 | 0 | 0 | 0 | 111.3 | F990 R992 A998 T999 L1002 F1155 | F990-L994 HydrophobicContact CD2-CD1 3.94Å; F990-L994 HydrophobicContact CE2-CD1 4.32Å; R992-L994 HydrophobicContact CB-CD2 4.17Å; R992-L994 PolarHBondContact O-N 3.16Å; R992-L994 VanDerWaalsContact O-N 3.12Å; L994-A998 HydrophobicContact CB-CB 4.04Å; L994-A998 HydrophobicContact CD1-CB 4.49Å; L994-T999 HydrophobicContact CB-CG2 3.93Å; L994-L1002 HydrophobicContact CD1-CD1 3.67Å; L994-F1155 HydrophobicContact CD2-CE2 3.74Å; L994-F1155 HydrophobicContact CD2-CZ 3.76Å | ||
| 995 | P | 93.4 | Very high | 95.4 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 14% | 0.143 | 19% | 0.19 | C | C | . | . | trans | -68.5 | 156.7 | 175.1 | 29.5 | -33.5 | 0 | 0 | 0 | 110.4 | Y997 A998 T999 Y1154 | P995-Y997 HydrophobicContact CB-CD1 3.75Å; P995-Y997 HydrophobicContact CB-CE1 3.59Å; P995-Y997 HydrophobicContact CG-CD1 3.73Å; P995-Y997 HydrophobicContact CG-CE1 3.19Å; P995-Y997 PolarHBondContact O-N 2.85Å; P995-Y997 VanDerWaalsContact O-N 3.15Å; P995-A998 HydrophobicContact CG-CB 3.74Å; P995-A998 WeakPolarHBondContact O-CA 3.31Å; P995-A998 VanDerWaalsContact O-CB 3.32Å; P995-A998 WeakPolarHBondContact O-CB 3.42Å; P995-A998 PolarHBondContact O-N 3.41Å; P995-T999 PolarHBondContact O-N 3.03Å; P995-Y1154 HydrophobicContact CB-CE2 4.09Å; P995-Y1154 VanDerWaalsContact CD-CE2 3.43Å; P995-Y1154 HydrophobicContact CG-CD2 4.13Å; P995-Y1154 HydrophobicContact CG-CE2 3.6Å | ||
| 996 | E | 94 | Very high | 95.4 | Very high | 168 Ų | 168 | 43.2 Ų | 43.2 | 79% | 0.785 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -54.9 | -38.2 | -174.7 | -171.3 | -178.1 | 171.6 | 0 | 0 | 113 | A998 T999 K1000 | E996-A998 PolarHBondContact O-N 3.49Å; E996-T999 WeakPolarHBondContact CA-OG1 3.39Å; E996-T999 PolarHBondContact O-N 3.23Å; E996-T999 PolarHBondContact O-OG1 2.85Å; E996-K1000 VanDerWaalsContact O-CB 3.26Å; E996-K1000 WeakPolarHBondContact O-CB 3.4Å; E996-K1000 PolarHBondContact O-N 2.74Å |
| 997 | Y | 95.1 | Very high | 95.5 | Very high | 38 Ų | 38 | 48.5 Ų | 48.5 | 15% | 0.149 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.2 | -32.2 | 178.4 | 77 | -93.7 | 0 | 0 | 0 | 112.7 | P995 F1001 Y1105 H1109 F1110 L1148 S1152 | P995-Y997 HydrophobicContact CB-CD1 3.75Å; P995-Y997 HydrophobicContact CB-CE1 3.59Å; P995-Y997 HydrophobicContact CG-CD1 3.73Å; P995-Y997 HydrophobicContact CG-CE1 3.19Å; P995-Y997 PolarHBondContact O-N 2.85Å; P995-Y997 VanDerWaalsContact O-N 3.15Å; Y997-F1001 WeakPolarHBondContact O-CB 3.38Å; Y997-F1001 PolarHBondContact O-N 3.21Å; Y997-Y1105 WeakPolarHBondContact CA-OH 3.21Å; Y997-Y1105 WeakPolarHBondContact O-CE1 3.36Å; Y997-Y1105 PolarHBondContact O-OH 3.09Å; Y997-H1109 HydrophobicContact CD2-CB 4.41Å; Y997-H1109 HydrophobicContact CG-CB 4.31Å; Y997-F1110 AromaticContact CD2-CD1 3.54Å; Y997-F1110 HydrophobicContact CD2-CD1 3.54Å; Y997-F1110 AromaticContact CD2-CE1 3.71Å; Y997-F1110 HydrophobicContact CD2-CE1 3.71Å; Y997-F1110 AromaticContact CE2-CD1 3.56Å; Y997-F1110 HydrophobicContact CE2-CD1 3.56Å; Y997-F1110 AromaticContact CE2-CE1 3.84Å; Y997-F1110 HydrophobicContact CE2-CE1 3.84Å; Y997-F1110 HydrophobicContact CE2-CG 4.17Å; Y997-L1148 HydrophobicContact CE2-CD1 3.78Å; Y997-S1152 WeakPolarHBondContact OH-CA 3.43Å; Y997-S1152 WeakPolarHBondContact OH-CB 3.42Å |
| 998 | A | 95.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -78.2 | -42.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L994 P995 E996 K1000 F1001 L1002 L1148 | L994-A998 HydrophobicContact CB-CB 4.04Å; L994-A998 HydrophobicContact CD1-CB 4.49Å; P995-A998 HydrophobicContact CG-CB 3.74Å; P995-A998 WeakPolarHBondContact O-CA 3.31Å; P995-A998 VanDerWaalsContact O-CB 3.32Å; P995-A998 WeakPolarHBondContact O-CB 3.42Å; P995-A998 PolarHBondContact O-N 3.41Å; E996-A998 PolarHBondContact O-N 3.49Å; A998-K1000 VanDerWaalsContact C-N 3.28Å; A998-K1000 PolarHBondContact O-N 3.01Å; A998-F1001 WeakPolarHBondContact O-CB 3.27Å; A998-F1001 PolarHBondContact O-N 3.24Å; A998-L1002 WeakPolarHBondContact O-CG 3.3Å; A998-L1002 PolarHBondContact O-N 3.4Å; A998-L1148 HydrophobicContact CB-CD1 3.51Å; A998-L1148 HydrophobicContact CB-CD2 4.26Å; A998-L1148 HydrophobicContact CB-CG 4.45Å |
| 999 | T | 95.8 | Very high | 95.3 | Very high | 14 Ų | 14 | 48 Ų | 48 | 9% | 0.086 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.8 | -44.9 | 173.7 | 60.9 | 0 | 0 | 0 | 0 | 109.9 | G982 L994 P995 E996 F1001 L1002 E1003 | G982-T999 WeakPolarHBondContact CA-O 3.44Å; L994-T999 HydrophobicContact CB-CG2 3.93Å; P995-T999 PolarHBondContact O-N 3.03Å; E996-T999 WeakPolarHBondContact CA-OG1 3.39Å; E996-T999 PolarHBondContact O-N 3.23Å; E996-T999 PolarHBondContact O-OG1 2.85Å; T999-F1001 PolarHBondContact O-N 2.87Å; T999-L1002 PolarHBondContact O-N 3.38Å; T999-E1003 PolarHBondContact O-N 3.26Å; T999-E1003 VanDerWaalsContact O-N 3.07Å |
| 1000 | K | 96.4 | Very high | 95.3 | Very high | 88 Ų | 88 | 45 Ų | 45 | 38% | 0.383 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.8 | -36.9 | 177.6 | -175.2 | 61.1 | 170.8 | -173.2 | 0 | 113 | E996 A998 E1003 L1004 Y1105 | E996-K1000 VanDerWaalsContact O-CB 3.26Å; E996-K1000 WeakPolarHBondContact O-CB 3.4Å; E996-K1000 PolarHBondContact O-N 2.74Å; A998-K1000 VanDerWaalsContact C-N 3.28Å; A998-K1000 PolarHBondContact O-N 3.01Å; K1000-E1003 IonicContact NZ-OE2 2.78Å; K1000-E1003 PolarHBondContact O-N 3.41Å; K1000-L1004 VanDerWaalsContact O-CG 3.3Å; K1000-L1004 WeakPolarHBondContact O-CG 3.38Å; K1000-L1004 PolarHBondContact O-N 2.92Å; K1000-Y1105 VanDerWaalsContact CB-OH 3.29Å; K1000-Y1105 WeakPolarHBondContact CB-OH 3.42Å; K1000-Y1105 HydrophobicContact CG-CE2 4.13Å |
| 1001 | F | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.7 | -46.2 | 171.2 | 170.1 | -98.7 | 0 | 0 | 0 | 112 | Y997 A998 T999 E1003 L1004 C1005 L1102 Y1105 V1106 F1110 A1144 M1145 L1148 | Y997-F1001 WeakPolarHBondContact O-CB 3.38Å; Y997-F1001 PolarHBondContact O-N 3.21Å; A998-F1001 WeakPolarHBondContact O-CB 3.27Å; A998-F1001 PolarHBondContact O-N 3.24Å; T999-F1001 PolarHBondContact O-N 2.87Å; F1001-E1003 VanDerWaalsContact C-N 3.32Å; F1001-E1003 PolarHBondContact O-N 2.97Å; F1001-L1004 WeakPolarHBondContact O-CB 3.4Å; F1001-L1004 PolarHBondContact O-N 2.95Å; F1001-C1005 VanDerWaalsContact CZ-SG 3.52Å; F1001-C1005 PolarHBondContact O-N 3.01Å; F1001-C1005 PolarHBondContact O-SG 3.44Å; F1001-C1005 VanDerWaalsContact O-SG 3.34Å; F1001-L1102 HydrophobicContact CD2-CD1 3.77Å; F1001-L1102 HydrophobicContact CE2-CD1 3.68Å; F1001-L1102 HydrophobicContact CE2-CD2 4.31Å; F1001-L1102 HydrophobicContact CE2-CG 4.16Å; F1001-Y1105 HydrophobicContact CB-CE1 3.91Å; F1001-V1106 HydrophobicContact CD2-CG2 3.95Å; F1001-V1106 HydrophobicContact CE2-CG2 3.8Å; F1001-F1110 HydrophobicContact CB-CE1 4.11Å; F1001-F1110 HydrophobicContact CB-CZ 4.23Å; F1001-F1110 HydrophobicContact CD1-CZ 4.1Å; F1001-F1110 HydrophobicContact CD2-CE1 4.15Å; F1001-F1110 AromaticContact CD2-CZ 3.77Å; F1001-F1110 HydrophobicContact CD2-CZ 3.77Å; F1001-F1110 HydrophobicContact CE1-CZ 4.4Å; F1001-F1110 HydrophobicContact CE2-CZ 4.09Å; F1001-F1110 HydrophobicContact CG-CE1 4.11Å; F1001-F1110 AromaticContact CG-CZ 3.76Å; F1001-F1110 HydrophobicContact CG-CZ 3.76Å; F1001-F1110 HydrophobicContact CZ-CZ 4.4Å; F1001-A1144 HydrophobicContact CE2-CB 3.61Å; F1001-A1144 HydrophobicContact CZ-CB 3.57Å; F1001-M1145 HydrophobicContact CE1-SD 3.98Å; F1001-L1148 HydrophobicContact CD1-CD2 3.7Å; F1001-L1148 HydrophobicContact CE1-CD2 4.05Å |
| 1002 | L | 96.5 | Very high | 95.3 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.6 | -42.2 | 177.7 | -67.7 | 175.9 | 0 | 0 | 0 | 111.5 | L985 F990 L994 A998 T999 C1005 L1006 M1145 | L985-L1002 HydrophobicContact CB-CD1 4.34Å; F990-L1002 HydrophobicContact CE2-CD1 4.06Å; L994-L1002 HydrophobicContact CD1-CD1 3.67Å; A998-L1002 WeakPolarHBondContact O-CG 3.3Å; A998-L1002 PolarHBondContact O-N 3.4Å; T999-L1002 PolarHBondContact O-N 3.38Å; L1002-C1005 WeakPolarHBondContact O-CB 3.5Å; L1002-C1005 PolarHBondContact O-N 2.91Å; L1002-L1006 WeakPolarHBondContact O-CG 3.4Å; L1002-L1006 PolarHBondContact O-N 2.95Å; L1002-M1145 HydrophobicContact CD2-CE 4.2Å; L1002-M1145 HydrophobicContact CD2-SD 4.04Å |
| 1003 | E | 96.9 | Very high | 95.4 | Very high | 44 Ų | 44 | 43.9 Ų | 43.9 | 21% | 0.206 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63 | -42.4 | 174.3 | -69.4 | -177 | 177.1 | 0 | 0 | 112.6 | I981 G982 T999 K1000 F1001 C1005 L1006 I1007 | I981-E1003 PolarHBondContact N-OE1 3.4Å; G982-E1003 PolarHBondContact N-OE1 3.29Å; T999-E1003 PolarHBondContact O-N 3.26Å; T999-E1003 VanDerWaalsContact O-N 3.07Å; K1000-E1003 IonicContact NZ-OE2 2.78Å; K1000-E1003 PolarHBondContact O-N 3.41Å; F1001-E1003 VanDerWaalsContact C-N 3.32Å; F1001-E1003 PolarHBondContact O-N 2.97Å; E1003-C1005 VanDerWaalsContact C-N 3.3Å; E1003-C1005 PolarHBondContact O-N 3.31Å; E1003-L1006 WeakPolarHBondContact O-CB 3.27Å; E1003-L1006 PolarHBondContact O-N 3.5Å; E1003-I1007 VanDerWaalsContact O-CG1 3.3Å; E1003-I1007 WeakPolarHBondContact O-CG1 3.47Å; E1003-I1007 PolarHBondContact O-N 3.34Å |
| 1004 | L | 96.6 | Very high | 95.5 | Very high | 44 Ų | 44 | 41.3 Ų | 41.3 | 23% | 0.23 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.4 | -41.7 | 175.4 | -72.6 | 173.4 | 0 | 0 | 0 | 111.1 | K1000 F1001 L1006 I1007 I1008 L1102 Y1105 | K1000-L1004 VanDerWaalsContact O-CG 3.3Å; K1000-L1004 WeakPolarHBondContact O-CG 3.38Å; K1000-L1004 PolarHBondContact O-N 2.92Å; F1001-L1004 WeakPolarHBondContact O-CB 3.4Å; F1001-L1004 PolarHBondContact O-N 2.95Å; L1004-L1006 PolarHBondContact O-N 3.23Å; L1004-I1007 PolarHBondContact O-N 2.75Å; L1004-I1008 WeakPolarHBondContact O-CB 3.4Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.22Å; L1004-I1008 PolarHBondContact O-N 3.06Å; L1004-L1102 HydrophobicContact CB-CD1 4.35Å; L1004-Y1105 HydrophobicContact CD1-CD1 3.98Å; L1004-Y1105 HydrophobicContact CD1-CD2 3.82Å; L1004-Y1105 HydrophobicContact CD1-CE1 4.26Å; L1004-Y1105 HydrophobicContact CD1-CE2 4.09Å; L1004-Y1105 HydrophobicContact CD1-CG 3.76Å |
| 1005 | C | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 174.5 | -70.5 | 0 | 0 | 0 | 0 | 112.1 | F1001 L1002 E1003 I1008 T1009 I1141 L1172 | F1001-C1005 VanDerWaalsContact CZ-SG 3.52Å; F1001-C1005 PolarHBondContact O-N 3.01Å; F1001-C1005 PolarHBondContact O-SG 3.44Å; F1001-C1005 VanDerWaalsContact O-SG 3.34Å; L1002-C1005 WeakPolarHBondContact O-CB 3.5Å; L1002-C1005 PolarHBondContact O-N 2.91Å; E1003-C1005 VanDerWaalsContact C-N 3.3Å; E1003-C1005 PolarHBondContact O-N 3.31Å; C1005-I1008 PolarHBondContact O-N 3.17Å; C1005-T1009 WeakPolarHBondContact O-CB 3.22Å; C1005-T1009 VanDerWaalsContact O-CG2 3.3Å; C1005-T1009 WeakPolarHBondContact O-CG2 3.19Å; C1005-T1009 PolarHBondContact O-N 2.85Å; C1005-T1009 PolarHBondContact O-OG1 3.45Å; C1005-I1141 HydrophobicContact CB-CG2 4.47Å; C1005-L1172 HydrophobicContact CB-CD1 4.46Å; C1005-L1172 HydrophobicContact CB-CD2 3.67Å; C1005-L1172 HydrophobicContact CB-CG 4.25Å |
| 1006 | L | 96.6 | Very high | 95.6 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 7% | 0.068 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 174.6 | -68.5 | -179.9 | 0 | 0 | 0 | 112.3 | I981 L985 L1002 E1003 L1004 T1009 A1010 L1172 L1175 | I981-L1006 HydrophobicContact CG2-CD1 3.88Å; L985-L1006 HydrophobicContact CD1-CD1 3.84Å; L1002-L1006 WeakPolarHBondContact O-CG 3.4Å; L1002-L1006 PolarHBondContact O-N 2.95Å; E1003-L1006 WeakPolarHBondContact O-CB 3.27Å; E1003-L1006 PolarHBondContact O-N 3.5Å; L1004-L1006 PolarHBondContact O-N 3.23Å; L1006-T1009 PolarHBondContact O-N 2.7Å; L1006-T1009 PolarHBondContact O-OG1 3.16Å; L1006-A1010 PolarHBondContact O-N 3.36Å; L1006-L1172 HydrophobicContact CD2-CD1 3.76Å; L1006-L1172 HydrophobicContact CG-CD1 4.17Å; L1006-L1175 HydrophobicContact CD1-CD2 4.34Å; L1006-L1175 HydrophobicContact CD2-CB 4.04Å; L1006-L1175 HydrophobicContact CD2-CD2 3.92Å; L1006-L1175 HydrophobicContact CD2-CG 3.82Å |
| 1007 | I | 96.7 | Very high | 95.6 | Very high | 112 Ų | 112 | 41 Ų | 41 | 57% | 0.574 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -62.6 | -45.6 | 179.1 | -68.4 | 164 | 0 | 0 | 0 | 110.6 | E1003 L1004 T1009 A1010 | E1003-I1007 VanDerWaalsContact O-CG1 3.3Å; E1003-I1007 WeakPolarHBondContact O-CG1 3.47Å; E1003-I1007 PolarHBondContact O-N 3.34Å; L1004-I1007 PolarHBondContact O-N 2.75Å; I1007-T1009 VanDerWaalsContact C-N 3.32Å; I1007-T1009 PolarHBondContact O-N 2.98Å; I1007-A1010 WeakPolarHBondContact O-CB 3.36Å; I1007-A1010 PolarHBondContact O-N 3.47Å |
| 1008 | I | 95.1 | Very high | 95.6 | Very high | 29 Ų | 29 | 39.2 Ų | 39.2 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.2 | -33.8 | -178 | -73.1 | 170 | 0 | 0 | 0 | 111.8 | L1004 C1005 R1098 L1102 V1137 I1141 | L1004-I1008 WeakPolarHBondContact O-CB 3.4Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.22Å; L1004-I1008 PolarHBondContact O-N 3.06Å; C1005-I1008 PolarHBondContact O-N 3.17Å; I1008-R1098 HydrophobicContact CG2-CB 4.07Å; I1008-R1098 HydrophobicContact CG2-CG 4.29Å; I1008-L1102 HydrophobicContact CD1-CB 4.21Å; I1008-L1102 HydrophobicContact CD1-CD1 4.26Å; I1008-L1102 HydrophobicContact CD1-CD2 4.46Å; I1008-V1137 HydrophobicContact CG2-CG2 3.37Å; I1008-I1141 HydrophobicContact CG2-CD1 4.23Å |
| 1009 | T | 94.4 | Very high | 95.7 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -92.2 | -3.7 | -178.5 | 58.3 | 0 | 0 | 0 | 0 | 114 | C1005 L1006 I1007 D1011 I1141 F1173 R1177 | C1005-T1009 WeakPolarHBondContact O-CB 3.22Å; C1005-T1009 VanDerWaalsContact O-CG2 3.3Å; C1005-T1009 WeakPolarHBondContact O-CG2 3.19Å; C1005-T1009 PolarHBondContact O-N 2.85Å; C1005-T1009 PolarHBondContact O-OG1 3.45Å; L1006-T1009 PolarHBondContact O-N 2.7Å; L1006-T1009 PolarHBondContact O-OG1 3.16Å; I1007-T1009 VanDerWaalsContact C-N 3.32Å; I1007-T1009 PolarHBondContact O-N 2.98Å; T1009-D1011 PolarHBondContact O-N 2.96Å; T1009-I1141 HydrophobicContact CG2-CD1 3.78Å; T1009-F1173 HydrophobicContact CG2-CD2 4.2Å; T1009-R1177 VanDerWaalsContact O-CZ 3.23Å; T1009-R1177 PolarHBondContact O-NE 3.41Å; T1009-R1177 PolarHBondContact O-NH2 3Å |
| 1010 | A | 96 | Very high | 95.7 | Very high | 20 Ų | 20 | 42 Ų | 42 | 17% | 0.165 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -51.2 | -49.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1006 I1007 G1176 R1177 I1179 G1180 | L1006-A1010 PolarHBondContact O-N 3.36Å; I1007-A1010 WeakPolarHBondContact O-CB 3.36Å; I1007-A1010 PolarHBondContact O-N 3.47Å; A1010-G1176 VanDerWaalsContact CA-O 3.31Å; A1010-G1176 WeakPolarHBondContact CA-O 3.34Å; A1010-R1177 WeakPolarHBondContact O-CA 2.95Å; A1010-I1179 HydrophobicContact CB-CB 4.36Å; A1010-I1179 HydrophobicContact CB-CG2 4.42Å; A1010-G1180 WeakPolarHBondContact O-CA 3.36Å; A1010-G1180 PolarHBondContact O-N 2.8Å |
| 1011 | D | 96.4 | Very high | 95.8 | Very high | 60 Ų | 60 | 40.8 Ų | 40.8 | 32% | 0.321 | 24% | 0.24 | S | C | . | . | trans | -152 | 164.9 | 175.2 | -168.8 | 38 | 0 | 0 | 0 | 112.4 | T1009 G1013 R1177 H1184 | T1009-D1011 PolarHBondContact O-N 2.96Å; D1011-G1013 WeakPolarHBondContact OD2-CA 3.4Å; D1011-G1013 PolarHBondContact OD2-N 3.34Å; D1011-R1177 VanDerWaalsContact C-NH1 3.33Å; D1011-R1177 IonicContact OD1-NH1 3.79Å; D1011-H1184 IonicContact OD1-NE2 3.99Å; D1011-H1184 IonicContact OD2-NE2 3.63Å | ||
| 1012 | H | 94.3 | Very high | 95.8 | Very high | 104 Ų | 104 | 40.8 Ų | 40.8 | 48% | 0.481 | 24% | 0.24 | S | C | . | . | trans | -147.3 | 28.8 | 174.6 | -155.6 | -84.1 | 0 | 0 | 0 | 111.7 | V1016 R1098 | H1012-V1016 HydrophobicContact CB-CG1 4.36Å; H1012-R1098 PolarHBondContact CD2-NH1 3.44Å; H1012-R1098 PolarHBondContact NE2-NH1 3.48Å; H1012-R1098 VanDerWaalsContact NE2-NH1 3.17Å | ||
| 1013 | G | 93.9 | Very high | 95.9 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 22% | 0.216 | 25% | 0.245 | C | C | . | . | trans | 84.9 | 167 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1011 A1015 | D1011-G1013 WeakPolarHBondContact OD2-CA 3.4Å; D1011-G1013 PolarHBondContact OD2-N 3.34Å; G1013-A1015 PolarHBondContact O-N 3.31Å; G1013-A1015 VanDerWaalsContact O-N 3.15Å | ||
| 1014 | P | 95.4 | Very high | 95.9 | Very high | 72 Ų | 72 | 41.6 Ų | 41.6 | 47% | 0.468 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -8.5 | -168.4 | 30.1 | -37.3 | 0 | 0 | 0 | 114.9 | H1020 I1023 | P1014-H1020 PolarHBondContact O-N 2.8Å; P1014-I1023 HydrophobicContact CB-CD1 3.41Å; P1014-I1023 VanDerWaalsContact CB-CD1 3.41Å |
| 1015 | A | 94.8 | Very high | 96 | Very high | 97 Ų | 97 | 40.2 Ų | 40.2 | 80% | 0.802 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -13.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G1013 | G1013-A1015 PolarHBondContact O-N 3.31Å; G1013-A1015 VanDerWaalsContact O-N 3.15Å |
| 1016 | V | 94 | Very high | 96 | Very high | 29 Ų | 29 | 40.4 Ų | 40.4 | 18% | 0.176 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -73.2 | 147.4 | 175.9 | -57.4 | 0 | 0 | 0 | 0 | 110.2 | H1012 G1018 A1019 H1020 F1047 F1181 | H1012-V1016 HydrophobicContact CB-CG1 4.36Å; V1016-G1018 VanDerWaalsContact C-N 3.27Å; V1016-G1018 PolarHBondContact O-N 2.89Å; V1016-G1018 VanDerWaalsContact O-N 3.11Å; V1016-A1019 HydrophobicContact CG2-CB 3.66Å; V1016-A1019 PolarHBondContact O-N 3.06Å; V1016-A1019 VanDerWaalsContact O-N 3.07Å; V1016-H1020 PolarHBondContact O-N 2.95Å; V1016-F1047 HydrophobicContact CB-CD2 4.39Å; V1016-F1047 HydrophobicContact CB-CE2 3.53Å; V1016-F1047 HydrophobicContact CB-CZ 3.87Å; V1016-F1047 HydrophobicContact CG1-CE2 4.14Å; V1016-F1047 HydrophobicContact CG2-CE2 3.85Å; V1016-F1047 HydrophobicContact CG2-CZ 3.67Å; V1016-F1181 HydrophobicContact CG2-CE1 4.43Å |
| 1017 | S | 94.4 | Very high | 96.1 | Very high | 69 Ų | 69 | 42.6 Ų | 42.6 | 48% | 0.483 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -48.3 | -46.1 | -171.6 | -58.9 | 0 | 0 | 0 | 0 | 113.4 | N1021 | S1017-N1021 WeakPolarHBondContact O-CB 3.31Å; S1017-N1021 PolarHBondContact O-N 3.45Å |
| 1018 | G | 94.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71 | -41 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1016 H1020 N1021 T1022 G1039 T1042 | V1016-G1018 VanDerWaalsContact C-N 3.27Å; V1016-G1018 PolarHBondContact O-N 2.89Å; V1016-G1018 VanDerWaalsContact O-N 3.11Å; G1018-H1020 VanDerWaalsContact C-N 3.33Å; G1018-H1020 PolarHBondContact O-N 3.41Å; G1018-N1021 PolarHBondContact O-N 2.96Å; G1018-T1022 PolarHBondContact O-N 3.25Å; G1018-T1022 PolarHBondContact O-OG1 3.45Å; G1018-G1039 VanDerWaalsContact CA-O 3.28Å; G1018-G1039 WeakPolarHBondContact CA-O 3.47Å; G1018-G1039 WeakPolarHBondContact O-CA 3.31Å; G1018-T1042 WeakPolarHBondContact CA-OG1 3.26Å; G1018-T1042 PolarHBondContact N-OG1 3.45Å |
| 1019 | A | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.4 | -42 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | V1016 T1022 I1023 F1181 | V1016-A1019 HydrophobicContact CG2-CB 3.66Å; V1016-A1019 PolarHBondContact O-N 3.06Å; V1016-A1019 VanDerWaalsContact O-N 3.07Å; A1019-T1022 PolarHBondContact O-N 3.32Å; A1019-I1023 WeakPolarHBondContact O-CB 3.49Å; A1019-I1023 WeakPolarHBondContact O-CD1 3.38Å; A1019-I1023 VanDerWaalsContact O-CG1 3.24Å; A1019-I1023 WeakPolarHBondContact O-CG1 3.24Å; A1019-I1023 PolarHBondContact O-N 3.39Å; A1019-F1181 HydrophobicContact CB-CD1 4.06Å; A1019-F1181 HydrophobicContact CB-CE1 3.77Å |
| 1020 | H | 97.2 | Very high | 96.4 | Very high | 73 Ų | 73 | 45.4 Ų | 45.4 | 34% | 0.338 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.9 | -48.7 | 175.6 | -173 | 80.6 | 0 | 0 | 0 | 111.4 | P1014 V1016 G1018 T1022 I1023 V1024 | P1014-H1020 PolarHBondContact O-N 2.8Å; V1016-H1020 PolarHBondContact O-N 2.95Å; G1018-H1020 VanDerWaalsContact C-N 3.33Å; G1018-H1020 PolarHBondContact O-N 3.41Å; H1020-T1022 PolarHBondContact O-N 3.05Å; H1020-I1023 PolarHBondContact O-N 3.41Å; H1020-V1024 WeakPolarHBondContact O-CG2 3.27Å; H1020-V1024 PolarHBondContact O-N 3.48Å |
| 1021 | N | 96.9 | Very high | 96.4 | Very high | 61 Ų | 61 | 48 Ų | 48 | 33% | 0.326 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 177.2 | -86.2 | 23.6 | 0 | 0 | 0 | 112.3 | S1017 G1018 I1023 V1024 A1025 S1038 T1042 | S1017-N1021 WeakPolarHBondContact O-CB 3.31Å; S1017-N1021 PolarHBondContact O-N 3.45Å; G1018-N1021 PolarHBondContact O-N 2.96Å; N1021-I1023 VanDerWaalsContact C-N 3.34Å; N1021-I1023 PolarHBondContact O-N 3.29Å; N1021-V1024 PolarHBondContact O-N 3.16Å; N1021-A1025 WeakPolarHBondContact O-CB 3.43Å; N1021-A1025 PolarHBondContact O-N 3.02Å; N1021-S1038 WeakPolarHBondContact CB-O 3.43Å; N1021-S1038 PolarHBondContact ND2-O 3.4Å; N1021-T1042 HydrophobicContact CB-CG2 4.05Å; N1021-T1042 WeakPolarHBondContact ND2-CG2 3.37Å |
| 1022 | T | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 174.8 | -66.5 | 0 | 0 | 0 | 0 | 111.8 | G1018 A1019 H1020 T1026 S1035 G1039 F1181 | G1018-T1022 PolarHBondContact O-N 3.25Å; G1018-T1022 PolarHBondContact O-OG1 3.45Å; A1019-T1022 PolarHBondContact O-N 3.32Å; H1020-T1022 PolarHBondContact O-N 3.05Å; T1022-T1026 WeakPolarHBondContact O-CB 3.42Å; T1022-T1026 PolarHBondContact O-N 3.02Å; T1022-T1026 PolarHBondContact O-OG1 2.9Å; T1022-S1035 VanDerWaalsContact CA-O 3.31Å; T1022-S1035 WeakPolarHBondContact CA-O 3.3Å; T1022-S1035 WeakPolarHBondContact CB-O 3.3Å; T1022-S1035 WeakPolarHBondContact CG2-O 3.49Å; T1022-S1035 PolarHBondContact OG1-O 2.96Å; T1022-G1039 VanDerWaalsContact OG1-CA 3.31Å; T1022-G1039 WeakPolarHBondContact OG1-CA 3.39Å; T1022-G1039 PolarHBondContact OG1-N 3.47Å; T1022-F1181 HydrophobicContact CG2-CB 4.28Å; T1022-F1181 VanDerWaalsContact CG2-O 3.31Å; T1022-F1181 WeakPolarHBondContact CG2-O 3.4Å |
| 1023 | I | 97.9 | Very high | 96.7 | Very high | 19 Ų | 19 | 47.9 Ų | 47.9 | 10% | 0.097 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -48 | 176.4 | -72.1 | 164.9 | 0 | 0 | 0 | 111 | P1014 A1019 H1020 N1021 A1025 T1026 R1027 H1184 Q1188 | P1014-I1023 HydrophobicContact CB-CD1 3.41Å; P1014-I1023 VanDerWaalsContact CB-CD1 3.41Å; A1019-I1023 WeakPolarHBondContact O-CB 3.49Å; A1019-I1023 WeakPolarHBondContact O-CD1 3.38Å; A1019-I1023 VanDerWaalsContact O-CG1 3.24Å; A1019-I1023 WeakPolarHBondContact O-CG1 3.24Å; A1019-I1023 PolarHBondContact O-N 3.39Å; H1020-I1023 PolarHBondContact O-N 3.41Å; N1021-I1023 VanDerWaalsContact C-N 3.34Å; N1021-I1023 PolarHBondContact O-N 3.29Å; I1023-A1025 PolarHBondContact O-N 3.36Å; I1023-T1026 PolarHBondContact O-N 3.29Å; I1023-R1027 HydrophobicContact CG2-CG 4.41Å; I1023-R1027 WeakPolarHBondContact O-CB 3.29Å; I1023-R1027 VanDerWaalsContact O-CG 3.27Å; I1023-R1027 WeakPolarHBondContact O-CG 3.33Å; I1023-R1027 PolarHBondContact O-N 3Å; I1023-H1184 HydrophobicContact CD1-CB 4.34Å; I1023-H1184 HydrophobicContact CG1-CB 3.94Å; I1023-Q1188 HydrophobicContact CB-CG 4.17Å; I1023-Q1188 HydrophobicContact CG1-CG 3.85Å; I1023-Q1188 HydrophobicContact CG2-CG 3.89Å |
| 1024 | V | 97.7 | Very high | 96.9 | Very high | 45 Ų | 45 | 49 Ų | 49 | 27% | 0.273 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 179.9 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | H1020 N1021 T1026 R1027 A1028 Y1196 | H1020-V1024 WeakPolarHBondContact O-CG2 3.27Å; H1020-V1024 PolarHBondContact O-N 3.48Å; N1021-V1024 PolarHBondContact O-N 3.16Å; V1024-T1026 PolarHBondContact O-N 3.25Å; V1024-R1027 PolarHBondContact O-N 3.47Å; V1024-A1028 WeakPolarHBondContact O-CB 3.35Å; V1024-A1028 PolarHBondContact O-N 3.28Å; V1024-Y1196 HydrophobicContact CG1-CD1 4.3Å; V1024-Y1196 HydrophobicContact CG2-CD1 3.64Å; V1024-Y1196 HydrophobicContact CG2-CE1 4.2Å; V1024-Y1196 HydrophobicContact CG2-CG 4.34Å |
| 1025 | A | 97.8 | Very high | 97 | Very high | 14 Ų | 14 | 45.6 Ų | 45.6 | 12% | 0.116 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1021 I1023 A1028 K1030 | N1021-A1025 WeakPolarHBondContact O-CB 3.43Å; N1021-A1025 PolarHBondContact O-N 3.02Å; I1023-A1025 PolarHBondContact O-N 3.36Å; A1025-A1028 WeakPolarHBondContact O-CB 3.31Å; A1025-A1028 PolarHBondContact O-N 2.79Å; A1025-K1030 WeakPolarHBondContact O-CB 3.5Å; A1025-K1030 WeakPolarHBondContact O-CG 3.42Å; A1025-K1030 PolarHBondContact O-N 3.16Å |
| 1026 | T | 97.7 | Very high | 97.1 | Very high | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.9 | -46.4 | 177 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | T1022 I1023 V1024 A1028 G1029 S1035 Y1185 Q1188 K1189 | T1022-T1026 WeakPolarHBondContact O-CB 3.42Å; T1022-T1026 PolarHBondContact O-N 3.02Å; T1022-T1026 PolarHBondContact O-OG1 2.9Å; I1023-T1026 PolarHBondContact O-N 3.29Å; V1024-T1026 PolarHBondContact O-N 3.25Å; T1026-A1028 PolarHBondContact O-N 2.71Å; T1026-G1029 PolarHBondContact O-N 3Å; T1026-S1035 PolarHBondContact N-OG 2.98Å; T1026-S1035 WeakPolarHBondContact OG1-CB 3.09Å; T1026-S1035 PolarHBondContact OG1-OG 3.49Å; T1026-Y1185 HydrophobicContact CG2-CD2 3.48Å; T1026-Y1185 VanDerWaalsContact CG2-CD2 3.48Å; T1026-Y1185 HydrophobicContact CG2-CE2 3.89Å; T1026-Y1185 HydrophobicContact CG2-CG 4.21Å; T1026-Y1185 VanDerWaalsContact OG1-CD2 3.3Å; T1026-Y1185 WeakPolarHBondContact OG1-CD2 3.23Å; T1026-Q1188 HydrophobicContact CG2-CB 3.69Å; T1026-K1189 HydrophobicContact CG2-CD 4.15Å; T1026-K1189 HydrophobicContact CG2-CG 3.91Å |
| 1027 | R | 97.8 | Very high | 97.3 | Very high | 60 Ų | 60 | 43.8 Ų | 43.8 | 23% | 0.226 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.5 | -26.9 | 176.1 | -74.3 | -177.7 | 64.2 | 173.2 | 1 | 112.4 | I1023 V1024 G1029 Q1193 G1194 L1195 | I1023-R1027 HydrophobicContact CG2-CG 4.41Å; I1023-R1027 WeakPolarHBondContact O-CB 3.29Å; I1023-R1027 VanDerWaalsContact O-CG 3.27Å; I1023-R1027 WeakPolarHBondContact O-CG 3.33Å; I1023-R1027 PolarHBondContact O-N 3Å; V1024-R1027 PolarHBondContact O-N 3.47Å; R1027-G1029 PolarHBondContact O-N 2.82Å; R1027-Q1193 HydrophobicContact CG-CB 3.75Å; R1027-G1194 WeakPolarHBondContact CB-O 3.45Å; R1027-G1194 PolarHBondContact NE-O 3.47Å; R1027-G1194 PolarHBondContact NH2-O 3.12Å; R1027-G1194 VanDerWaalsContact NH2-O 3.1Å; R1027-L1195 VanDerWaalsContact O-CA 3.25Å; R1027-L1195 WeakPolarHBondContact O-CA 3.21Å; R1027-L1195 PolarHBondContact O-N 3.28Å |
| 1028 | A | 97.7 | Very high | 97.4 | Very high | 51 Ų | 51 | 42.4 Ų | 42.4 | 42% | 0.421 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 7.2 | 171 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1024 A1025 T1026 L1195 | V1024-A1028 WeakPolarHBondContact O-CB 3.35Å; V1024-A1028 PolarHBondContact O-N 3.28Å; A1025-A1028 WeakPolarHBondContact O-CB 3.31Å; A1025-A1028 PolarHBondContact O-N 2.79Å; T1026-A1028 PolarHBondContact O-N 2.71Å; A1028-L1195 HydrophobicContact CB-CD1 3.78Å |
| 1029 | G | 96.4 | Very high | 97.5 | Very high | 53 Ų | 53 | 42.4 Ų | 42.4 | 55% | 0.546 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 9.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1026 R1027 | T1026-G1029 PolarHBondContact O-N 3Å; R1027-G1029 PolarHBondContact O-N 2.82Å |
| 1030 | K | 97.7 | Very high | 97.5 | Very high | 101 Ų | 101 | 44.2 Ų | 44.2 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | trans | -69.4 | 159.4 | 179.4 | -58.9 | -59.7 | -61.2 | -179.7 | 0 | 112.1 | A1025 K1189 | A1025-K1030 WeakPolarHBondContact O-CB 3.5Å; A1025-K1030 WeakPolarHBondContact O-CG 3.42Å; A1025-K1030 PolarHBondContact O-N 3.16Å; K1030-K1189 PolarHBondContact O-NZ 3.44Å | ||
| 1031 | D | 97.5 | Very high | 97.4 | Very high | 76 Ų | 76 | 47.5 Ų | 47.5 | 41% | 0.406 | 27% | 0.274 | S | S | . | . | trans | -72.3 | 171.2 | 173 | 65.9 | 90.4 | 0 | 0 | 0 | 111.3 | I1033 S1034 S1035 | D1031-I1033 PolarHBondContact O-N 3.48Å; D1031-I1033 WeakPolarHBondContact OD1-CB 3.49Å; D1031-I1033 PolarHBondContact OD1-N 2.79Å; D1031-S1034 PolarHBondContact OD1-N 3.49Å; D1031-S1034 VanDerWaalsContact OD2-CB 3.22Å; D1031-S1034 WeakPolarHBondContact OD2-CB 3.4Å; D1031-S1034 PolarHBondContact OD2-OG 3.34Å; D1031-S1035 WeakPolarHBondContact O-CB 3.12Å; D1031-S1035 PolarHBondContact O-N 3.01Å; D1031-S1035 PolarHBondContact O-OG 2.95Å | ||
| 1032 | L | 97.9 | Very high | 97.3 | Very high | 53 Ų | 53 | 46.1 Ų | 46.1 | 28% | 0.277 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.3 | -45.6 | -176.8 | -175.5 | 151.6 | 0 | 0 | 0 | 111.9 | S1035 L1036 I1182 Y1185 | L1032-S1035 PolarHBondContact O-N 2.86Å; L1032-L1036 VanDerWaalsContact O-CB 3.27Å; L1032-L1036 WeakPolarHBondContact O-CB 3.27Å; L1032-L1036 PolarHBondContact O-N 3.34Å; L1032-I1182 HydrophobicContact CD1-CG2 4.32Å; L1032-I1182 HydrophobicContact CD2-CG1 4.46Å; L1032-Y1185 VanDerWaalsContact CA-CE2 3.47Å; L1032-Y1185 HydrophobicContact CB-CD1 3.98Å; L1032-Y1185 HydrophobicContact CB-CD2 4.5Å; L1032-Y1185 HydrophobicContact CB-CE1 3.6Å; L1032-Y1185 HydrophobicContact CB-CE2 4.15Å; L1032-Y1185 HydrophobicContact CB-CG 4.43Å; L1032-Y1185 HydrophobicContact CD1-CD1 3.8Å; L1032-Y1185 HydrophobicContact CD1-CE1 3.8Å; L1032-Y1185 HydrophobicContact CG-CD1 3.82Å; L1032-Y1185 HydrophobicContact CG-CE1 3.9Å; L1032-Y1185 HydrophobicContact CG-CG 4.32Å; L1032-Y1185 PolarHBondContact N-OH 3.01Å |
| 1033 | I | 97.6 | Very high | 96.9 | Very high | 108 Ų | 108 | 47.6 Ų | 47.6 | 55% | 0.554 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -68.4 | -48.9 | -175.1 | -57.4 | -61.4 | 0 | 0 | 0 | 109.7 | D1031 S1035 L1036 V1037 | D1031-I1033 PolarHBondContact O-N 3.48Å; D1031-I1033 WeakPolarHBondContact OD1-CB 3.49Å; D1031-I1033 PolarHBondContact OD1-N 2.79Å; I1033-S1035 VanDerWaalsContact C-N 3.27Å; I1033-S1035 PolarHBondContact O-N 3.27Å; I1033-L1036 PolarHBondContact O-N 2.88Å; I1033-V1037 HydrophobicContact CG2-CG2 4.25Å; I1033-V1037 WeakPolarHBondContact O-CB 3.36Å; I1033-V1037 VanDerWaalsContact O-CG2 3.25Å; I1033-V1037 WeakPolarHBondContact O-CG2 3.38Å; I1033-V1037 PolarHBondContact O-N 3.3Å |
| 1034 | S | 97.7 | Very high | 96.3 | Very high | 45 Ų | 45 | 48.2 Ų | 48.2 | 32% | 0.315 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.3 | -41.8 | 176.2 | -68.1 | 0 | 0 | 0 | 0 | 112.5 | D1031 S1038 | D1031-S1034 PolarHBondContact OD1-N 3.49Å; D1031-S1034 VanDerWaalsContact OD2-CB 3.22Å; D1031-S1034 WeakPolarHBondContact OD2-CB 3.4Å; D1031-S1034 PolarHBondContact OD2-OG 3.34Å; S1034-S1038 WeakPolarHBondContact O-CB 3.48Å; S1034-S1038 PolarHBondContact O-N 3.09Å |
| 1035 | S | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -73.3 | -41.5 | -177.5 | -52.5 | 0 | 0 | 0 | 0 | 112.2 | T1022 T1026 D1031 L1032 I1033 S1038 G1039 | T1022-S1035 VanDerWaalsContact CA-O 3.31Å; T1022-S1035 WeakPolarHBondContact CA-O 3.3Å; T1022-S1035 WeakPolarHBondContact CB-O 3.3Å; T1022-S1035 WeakPolarHBondContact CG2-O 3.49Å; T1022-S1035 PolarHBondContact OG1-O 2.96Å; T1026-S1035 PolarHBondContact N-OG 2.98Å; T1026-S1035 WeakPolarHBondContact OG1-CB 3.09Å; T1026-S1035 PolarHBondContact OG1-OG 3.49Å; D1031-S1035 WeakPolarHBondContact O-CB 3.12Å; D1031-S1035 PolarHBondContact O-N 3.01Å; D1031-S1035 PolarHBondContact O-OG 2.95Å; L1032-S1035 PolarHBondContact O-N 2.86Å; I1033-S1035 VanDerWaalsContact C-N 3.27Å; I1033-S1035 PolarHBondContact O-N 3.27Å; S1035-S1038 PolarHBondContact O-N 2.97Å; S1035-G1039 PolarHBondContact O-N 2.88Å |
| 1036 | L | 97.8 | Very high | 94.8 | Very high | 22 Ų | 22 | 65 Ų | 65 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.5 | -51.8 | 173.5 | 174.5 | 60.2 | 0 | 0 | 0 | 110.6 | L1032 I1033 S1038 G1039 L1040 F1181 I1182 | L1032-L1036 VanDerWaalsContact O-CB 3.27Å; L1032-L1036 WeakPolarHBondContact O-CB 3.27Å; L1032-L1036 PolarHBondContact O-N 3.34Å; I1033-L1036 PolarHBondContact O-N 2.88Å; L1036-S1038 VanDerWaalsContact C-N 3.29Å; L1036-S1038 PolarHBondContact O-N 3.4Å; L1036-G1039 WeakPolarHBondContact O-CA 3.36Å; L1036-G1039 PolarHBondContact O-N 2.99Å; L1036-L1040 HydrophobicContact CD1-CD1 3.88Å; L1036-L1040 HydrophobicContact CD1-CD2 4.25Å; L1036-L1040 HydrophobicContact CD1-CG 3.86Å; L1036-L1040 HydrophobicContact CD2-CD1 4.32Å; L1036-L1040 HydrophobicContact CG-CD1 3.76Å; L1036-L1040 HydrophobicContact CG-CG 4.13Å; L1036-L1040 WeakPolarHBondContact O-CG 3.18Å; L1036-L1040 PolarHBondContact O-N 3.5Å; L1036-F1181 HydrophobicContact CD1-CB 3.56Å; L1036-F1181 HydrophobicContact CD1-CD2 4.24Å; L1036-F1181 HydrophobicContact CD1-CG 4.43Å; L1036-I1182 HydrophobicContact CD1-CG1 4.18Å; L1036-I1182 HydrophobicContact CD2-CD1 4.1Å; L1036-I1182 HydrophobicContact CD2-CG1 3.98Å |
| 1037 | V | 97.6 | Very high | 94.3 | Very high | 66 Ų | 66 | 66.3 Ų | 66.3 | 40% | 0.4 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.6 | -39.7 | -179.8 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | I1033 G1039 L1040 L1041 | I1033-V1037 HydrophobicContact CG2-CG2 4.25Å; I1033-V1037 WeakPolarHBondContact O-CB 3.36Å; I1033-V1037 VanDerWaalsContact O-CG2 3.25Å; I1033-V1037 WeakPolarHBondContact O-CG2 3.38Å; I1033-V1037 PolarHBondContact O-N 3.3Å; V1037-G1039 PolarHBondContact O-N 3.15Å; V1037-L1040 PolarHBondContact O-N 3.38Å; V1037-L1041 HydrophobicContact CG1-CD1 3.78Å; V1037-L1041 HydrophobicContact CG1-CG 4.04Å; V1037-L1041 WeakPolarHBondContact O-CB 3.09Å; V1037-L1041 VanDerWaalsContact O-CG 3.29Å; V1037-L1041 WeakPolarHBondContact O-CG 3.32Å; V1037-L1041 PolarHBondContact O-N 3.16Å |
| 1038 | S | 97.4 | Very high | 93.6 | Very high | 39 Ų | 39 | 63.8 Ų | 63.8 | 27% | 0.273 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.6 | -36.3 | 175.5 | -176.6 | 0 | 0 | 0 | 0 | 112.9 | N1021 S1034 S1035 L1036 | N1021-S1038 WeakPolarHBondContact CB-O 3.43Å; N1021-S1038 PolarHBondContact ND2-O 3.4Å; S1034-S1038 WeakPolarHBondContact O-CB 3.48Å; S1034-S1038 PolarHBondContact O-N 3.09Å; S1035-S1038 PolarHBondContact O-N 2.97Å; L1036-S1038 VanDerWaalsContact C-N 3.29Å; L1036-S1038 PolarHBondContact O-N 3.4Å |
| 1039 | G | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -76.8 | -45.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1018 T1022 S1035 L1036 V1037 L1041 T1042 | G1018-G1039 VanDerWaalsContact CA-O 3.28Å; G1018-G1039 WeakPolarHBondContact CA-O 3.47Å; G1018-G1039 WeakPolarHBondContact O-CA 3.31Å; T1022-G1039 VanDerWaalsContact OG1-CA 3.31Å; T1022-G1039 WeakPolarHBondContact OG1-CA 3.39Å; T1022-G1039 PolarHBondContact OG1-N 3.47Å; S1035-G1039 PolarHBondContact O-N 2.88Å; L1036-G1039 WeakPolarHBondContact O-CA 3.36Å; L1036-G1039 PolarHBondContact O-N 2.99Å; V1037-G1039 PolarHBondContact O-N 3.15Å; G1039-L1041 VanDerWaalsContact C-N 3.28Å; G1039-L1041 PolarHBondContact O-N 3.32Å; G1039-T1042 WeakPolarHBondContact O-CB 3.36Å; G1039-T1042 WeakPolarHBondContact O-CG2 3.36Å; G1039-T1042 PolarHBondContact O-N 3Å; G1039-T1042 PolarHBondContact O-OG1 3.41Å |
| 1040 | L | 95.9 | Very high | 92.8 | Very high | 38 Ų | 38 | 60.5 Ų | 60.5 | 20% | 0.199 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.3 | -33.8 | -179.5 | -67 | -179.4 | 0 | 0 | 0 | 112.7 | L1036 V1037 T1042 I1043 V1174 S1178 F1181 | L1036-L1040 HydrophobicContact CD1-CD1 3.88Å; L1036-L1040 HydrophobicContact CD1-CD2 4.25Å; L1036-L1040 HydrophobicContact CD1-CG 3.86Å; L1036-L1040 HydrophobicContact CD2-CD1 4.32Å; L1036-L1040 HydrophobicContact CG-CD1 3.76Å; L1036-L1040 HydrophobicContact CG-CG 4.13Å; L1036-L1040 WeakPolarHBondContact O-CG 3.18Å; L1036-L1040 PolarHBondContact O-N 3.5Å; V1037-L1040 PolarHBondContact O-N 3.38Å; L1040-T1042 PolarHBondContact O-N 3.49Å; L1040-T1042 VanDerWaalsContact O-N 3.08Å; L1040-I1043 HydrophobicContact CD2-CD1 3.67Å; L1040-I1043 VanDerWaalsContact O-CB 3.26Å; L1040-I1043 WeakPolarHBondContact O-CB 3.36Å; L1040-I1043 WeakPolarHBondContact O-CG1 3.35Å; L1040-I1043 PolarHBondContact O-N 2.88Å; L1040-V1174 HydrophobicContact CD2-CG1 4.29Å; L1040-S1178 WeakPolarHBondContact CD2-OG 3.18Å; L1040-F1181 HydrophobicContact CD2-CD2 3.75Å; L1040-F1181 HydrophobicContact CD2-CE2 3.92Å; L1040-F1181 HydrophobicContact CG-CD2 4.22Å |
| 1041 | L | 96 | Very high | 92.5 | Very high | 142 Ų | 142 | 55.7 Ų | 55.7 | 74% | 0.743 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -9.3 | 175.5 | -75 | 171.5 | 0 | 0 | 0 | 114 | V1037 G1039 | V1037-L1041 HydrophobicContact CG1-CD1 3.78Å; V1037-L1041 HydrophobicContact CG1-CG 4.04Å; V1037-L1041 WeakPolarHBondContact O-CB 3.09Å; V1037-L1041 VanDerWaalsContact O-CG 3.29Å; V1037-L1041 WeakPolarHBondContact O-CG 3.32Å; V1037-L1041 PolarHBondContact O-N 3.16Å; G1039-L1041 VanDerWaalsContact C-N 3.28Å; G1039-L1041 PolarHBondContact O-N 3.32Å |
| 1042 | T | 94.5 | Very high | 92.1 | Very high | 33 Ų | 33 | 52.6 Ų | 52.6 | 20% | 0.202 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -15.2 | 169.8 | 72.2 | 0 | 0 | 0 | 0 | 112.8 | G1018 N1021 G1039 L1040 G1044 F1047 | G1018-T1042 WeakPolarHBondContact CA-OG1 3.26Å; G1018-T1042 PolarHBondContact N-OG1 3.45Å; N1021-T1042 HydrophobicContact CB-CG2 4.05Å; N1021-T1042 WeakPolarHBondContact ND2-CG2 3.37Å; G1039-T1042 WeakPolarHBondContact O-CB 3.36Å; G1039-T1042 WeakPolarHBondContact O-CG2 3.36Å; G1039-T1042 PolarHBondContact O-N 3Å; G1039-T1042 PolarHBondContact O-OG1 3.41Å; L1040-T1042 PolarHBondContact O-N 3.49Å; L1040-T1042 VanDerWaalsContact O-N 3.08Å; T1042-G1044 PolarHBondContact O-N 2.82Å; T1042-F1047 WeakPolarHBondContact OG1-CD1 3.3Å |
| 1043 | I | 90.2 | Very high | 91.8 | Very high | 30 Ų | 30 | 51.6 Ų | 51.6 | 15% | 0.154 | 28% | 0.283 | C | S | . | . | trans | -74.4 | 122.7 | 180 | -59.1 | 174.9 | 0 | 0 | 0 | 108.7 | L1040 F1047 F1173 V1174 R1177 F1181 | L1040-I1043 HydrophobicContact CD2-CD1 3.67Å; L1040-I1043 VanDerWaalsContact O-CB 3.26Å; L1040-I1043 WeakPolarHBondContact O-CB 3.36Å; L1040-I1043 WeakPolarHBondContact O-CG1 3.35Å; L1040-I1043 PolarHBondContact O-N 2.88Å; I1043-F1047 CarbonylContact C-O 3.57Å; I1043-F1047 VanDerWaalsContact CA-O 3.23Å; I1043-F1047 WeakPolarHBondContact CA-O 3.37Å; I1043-F1047 HydrophobicContact CG1-CD1 3.87Å; I1043-F1047 HydrophobicContact CG1-CE1 3.71Å; I1043-F1173 HydrophobicContact CD1-CD1 4.16Å; I1043-F1173 HydrophobicContact CD1-CE1 4.12Å; I1043-F1173 HydrophobicContact CG1-CE1 4.26Å; I1043-F1173 HydrophobicContact CG2-CD1 3.95Å; I1043-F1173 HydrophobicContact CG2-CE1 4.26Å; I1043-V1174 HydrophobicContact CB-CG2 4.39Å; I1043-V1174 HydrophobicContact CD1-CG2 3.97Å; I1043-V1174 HydrophobicContact CG2-CG2 3.83Å; I1043-R1177 HydrophobicContact CD1-CB 4.28Å; I1043-R1177 HydrophobicContact CD1-CG 4.27Å; I1043-F1181 HydrophobicContact CD1-CE2 4.27Å | ||
| 1044 | G | 84.5 | Confident | 91.7 | Very high | 33 Ų | 33 | 46.5 Ų | 46.5 | 34% | 0.34 | 26% | 0.257 | S | S | . | . | B | Isolated β-bridge | trans | 178.3 | -154.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | T1042 R1046 F1047 G1049 | T1042-G1044 PolarHBondContact O-N 2.82Å; G1044-R1046 VanDerWaalsContact C-N 3.29Å; G1044-R1046 PolarHBondContact O-N 3.5Å; G1044-R1046 VanDerWaalsContact O-N 3.12Å; G1044-F1047 PolarHBondContact N-O 2.94Å; G1044-F1047 CarbonylContact O-C 3.51Å; G1044-F1047 VanDerWaalsContact O-C 3.31Å; G1044-F1047 PolarHBondContact O-N 2.88Å; G1044-G1049 WeakPolarHBondContact O-CA 3.23Å; G1044-G1049 PolarHBondContact O-N 2.96Å |
| 1045 | D | 79.5 | Confident | 91.5 | Very high | 157 Ų | 157 | 44.3 Ų | 44.3 | 84% | 0.84 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -37.7 | -170.2 | -57.5 | -12.8 | 0 | 0 | 0 | 114.5 | ||
| 1046 | R | 85 | Confident | 91.2 | Very high | 254 Ų | 254 | 48.2 Ų | 48.2 | 96% | 0.958 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -26.7 | -176.8 | -63.7 | -173.2 | -175.4 | 178.5 | 2.3 | 114 | G1044 | G1044-R1046 VanDerWaalsContact C-N 3.29Å; G1044-R1046 PolarHBondContact O-N 3.5Å; G1044-R1046 VanDerWaalsContact O-N 3.12Å |
| 1047 | F | 86.8 | Confident | 91.1 | Very high | 31 Ų | 31 | 48.4 Ų | 48.4 | 14% | 0.136 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -132.4 | 111.5 | -178.8 | 174.7 | -112.5 | 0 | 0 | 0 | 108.9 | V1016 T1042 I1043 G1044 G1049 F1173 F1181 | V1016-F1047 HydrophobicContact CB-CD2 4.39Å; V1016-F1047 HydrophobicContact CB-CE2 3.53Å; V1016-F1047 HydrophobicContact CB-CZ 3.87Å; V1016-F1047 HydrophobicContact CG1-CE2 4.14Å; V1016-F1047 HydrophobicContact CG2-CE2 3.85Å; V1016-F1047 HydrophobicContact CG2-CZ 3.67Å; T1042-F1047 WeakPolarHBondContact OG1-CD1 3.3Å; I1043-F1047 CarbonylContact C-O 3.57Å; I1043-F1047 VanDerWaalsContact CA-O 3.23Å; I1043-F1047 WeakPolarHBondContact CA-O 3.37Å; I1043-F1047 HydrophobicContact CG1-CD1 3.87Å; I1043-F1047 HydrophobicContact CG1-CE1 3.71Å; G1044-F1047 PolarHBondContact N-O 2.94Å; G1044-F1047 CarbonylContact O-C 3.51Å; G1044-F1047 VanDerWaalsContact O-C 3.31Å; G1044-F1047 PolarHBondContact O-N 2.88Å; F1047-G1049 PolarHBondContact O-N 3Å; F1047-F1173 HydrophobicContact CE2-CZ 4.5Å; F1047-F1173 HydrophobicContact CZ-CE1 4.43Å; F1047-F1173 HydrophobicContact CZ-CZ 4.41Å; F1047-F1181 AromaticContact CE1-CZ 3.96Å; F1047-F1181 HydrophobicContact CE1-CZ 3.96Å; F1047-F1181 HydrophobicContact CZ-CZ 4.11Å |
| 1048 | G | 83.4 | Confident | 91 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | 89.5 | -18.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116 | A1050 | G1048-A1050 PolarHBondContact O-N 3.09Å |
| 1049 | G | 86.9 | Confident | 90.8 | Very high | 10 Ų | 10 | 43.4 Ų | 43.4 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -2.4 | 177 | 0 | 0 | 0 | 0 | 0 | 115.7 | G1044 F1047 L1051 A1053 | G1044-G1049 WeakPolarHBondContact O-CA 3.23Å; G1044-G1049 PolarHBondContact O-N 2.96Å; F1047-G1049 PolarHBondContact O-N 3Å; G1049-L1051 PolarHBondContact O-N 3.4Å; G1049-A1053 WeakPolarHBondContact O-CB 3.31Å; G1049-A1053 PolarHBondContact O-N 2.76Å; G1049-A1053 VanDerWaalsContact O-N 3.14Å |
| 1050 | A | 90.1 | Very high | 90.6 | Very high | 24 Ų | 24 | 49 Ų | 49 | 20% | 0.198 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.8 | -31.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G1048 A1054 M1083 D1138 | G1048-A1050 PolarHBondContact O-N 3.09Å; A1050-A1054 VanDerWaalsContact O-CB 3.25Å; A1050-A1054 WeakPolarHBondContact O-CB 3.39Å; A1050-A1054 PolarHBondContact O-N 3.24Å; A1050-M1083 HydrophobicContact CB-CE 4.43Å; A1050-D1138 HydrophobicContact CB-CB 3.79Å |
| 1051 | L | 90.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.7 | -52.6 | 178.4 | -78.8 | 75.9 | 0 | 0 | 0 | 110.6 | G1049 A1054 A1055 D1138 I1141 L1169 F1173 | G1049-L1051 PolarHBondContact O-N 3.4Å; L1051-A1054 PolarHBondContact O-N 3.35Å; L1051-A1055 WeakPolarHBondContact O-CB 3.44Å; L1051-A1055 PolarHBondContact O-N 3.31Å; L1051-D1138 HydrophobicContact CD1-CB 3.79Å; L1051-D1138 WeakPolarHBondContact CD1-OD1 3.49Å; L1051-D1138 HydrophobicContact CG-CB 4.24Å; L1051-I1141 HydrophobicContact CD2-CB 4.1Å; L1051-I1141 HydrophobicContact CD2-CD1 4.33Å; L1051-I1141 HydrophobicContact CD2-CG2 3.6Å; L1051-I1141 HydrophobicContact CG-CB 4.43Å; L1051-I1141 HydrophobicContact CG-CG2 4.37Å; L1051-L1169 HydrophobicContact CB-CB 4.24Å; L1051-L1169 HydrophobicContact CB-CD2 4.41Å; L1051-L1169 HydrophobicContact CD2-CD2 4.39Å; L1051-F1173 HydrophobicContact CD1-CB 4.49Å; L1051-F1173 HydrophobicContact CD1-CD2 3.64Å; L1051-F1173 HydrophobicContact CD1-CE2 4.28Å; L1051-F1173 HydrophobicContact CD1-CG 4.37Å; L1051-F1173 HydrophobicContact CD2-CB 4.36Å |
| 1052 | D | 90.6 | Very high | 90.5 | Very high | 12 Ų | 12 | 44.9 Ų | 44.9 | 6% | 0.064 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.6 | -42.1 | -178.5 | -161.9 | 74.3 | 0 | 0 | 0 | 111.3 | A1054 A1055 R1056 L1169 | D1052-A1054 PolarHBondContact O-N 2.72Å; D1052-A1055 PolarHBondContact O-N 3.24Å; D1052-R1056 WeakPolarHBondContact O-CG 3.41Å; D1052-R1056 PolarHBondContact O-N 2.91Å; D1052-R1056 IonicContact OD1-NH2 2.81Å; D1052-R1056 IonicContact OD2-CZ 3.44Å; D1052-R1056 VanDerWaalsContact OD2-CZ 3.25Å; D1052-R1056 IonicContact OD2-NE 3.45Å; D1052-R1056 PolarHBondContact OD2-NE 3.43Å; D1052-R1056 IonicContact OD2-NH2 3.68Å; D1052-R1056 PolarHBondContact OD2-NH2 2.77Å; D1052-L1169 HydrophobicContact CB-CB 4.23Å |
| 1053 | A | 92 | Very high | 90.5 | Very high | 32 Ų | 32 | 47.1 Ų | 47.1 | 26% | 0.264 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.7 | -40.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1049 Q1057 M1083 | G1049-A1053 WeakPolarHBondContact O-CB 3.31Å; G1049-A1053 PolarHBondContact O-N 2.76Å; G1049-A1053 VanDerWaalsContact O-N 3.14Å; A1053-Q1057 VanDerWaalsContact O-CB 3.28Å; A1053-Q1057 WeakPolarHBondContact O-CB 3.47Å; A1053-Q1057 PolarHBondContact O-N 3.37Å; A1053-M1083 HydrophobicContact CB-CB 4.07Å; A1053-M1083 HydrophobicContact CB-CE 3.89Å; A1053-M1083 HydrophobicContact CB-CG 3.94Å |
| 1054 | A | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.5 | -46.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1050 L1051 D1052 R1056 Q1057 F1058 M1083 | A1050-A1054 VanDerWaalsContact O-CB 3.25Å; A1050-A1054 WeakPolarHBondContact O-CB 3.39Å; A1050-A1054 PolarHBondContact O-N 3.24Å; L1051-A1054 PolarHBondContact O-N 3.35Å; D1052-A1054 PolarHBondContact O-N 2.72Å; A1054-R1056 PolarHBondContact O-N 3.43Å; A1054-Q1057 PolarHBondContact O-N 2.81Å; A1054-F1058 HydrophobicContact CB-CD2 4.39Å; A1054-F1058 WeakPolarHBondContact O-CB 3.09Å; A1054-F1058 VanDerWaalsContact O-CD2 3.31Å; A1054-F1058 WeakPolarHBondContact O-CD2 3.41Å; A1054-F1058 PolarHBondContact O-N 3.39Å; A1054-M1083 HydrophobicContact CB-CB 4.3Å; A1054-M1083 WeakPolarHBondContact CB-O 3.27Å |
| 1055 | A | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -53.9 | -50.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1051 D1052 S1059 V1146 I1164 L1169 | L1051-A1055 WeakPolarHBondContact O-CB 3.44Å; L1051-A1055 PolarHBondContact O-N 3.31Å; D1052-A1055 PolarHBondContact O-N 3.24Å; A1055-S1059 WeakPolarHBondContact O-CB 3.39Å; A1055-S1059 PolarHBondContact O-N 2.98Å; A1055-S1059 PolarHBondContact O-OG 3.32Å; A1055-V1146 HydrophobicContact CB-CG2 3.81Å; A1055-I1164 HydrophobicContact CB-CD1 4.48Å; A1055-I1164 HydrophobicContact CB-CG2 4.46Å; A1055-L1169 HydrophobicContact CB-CD1 3.25Å |
| 1056 | R | 92.8 | Very high | 91.9 | Very high | 81 Ų | 81 | 48.4 Ų | 48.4 | 31% | 0.306 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.5 | -45.1 | 178.2 | -67.7 | 179.6 | -161.7 | -121.2 | -0.6 | 112.8 | D1052 A1054 S1059 Q1060 I1164 T1165 | D1052-R1056 WeakPolarHBondContact O-CG 3.41Å; D1052-R1056 PolarHBondContact O-N 2.91Å; D1052-R1056 IonicContact OD1-NH2 2.81Å; D1052-R1056 IonicContact OD2-CZ 3.44Å; D1052-R1056 VanDerWaalsContact OD2-CZ 3.25Å; D1052-R1056 IonicContact OD2-NE 3.45Å; D1052-R1056 PolarHBondContact OD2-NE 3.43Å; D1052-R1056 IonicContact OD2-NH2 3.68Å; D1052-R1056 PolarHBondContact OD2-NH2 2.77Å; A1054-R1056 PolarHBondContact O-N 3.43Å; R1056-S1059 PolarHBondContact O-OG 3.33Å; R1056-Q1060 VanDerWaalsContact O-CB 3.22Å; R1056-Q1060 WeakPolarHBondContact O-CB 3.45Å; R1056-Q1060 WeakPolarHBondContact O-CG 3.24Å; R1056-Q1060 PolarHBondContact O-N 3.24Å; R1056-I1164 HydrophobicContact CG-CG2 4.01Å; R1056-I1164 PolarHBondContact NH2-O 3.08Å; R1056-T1165 PolarHBondContact NH2-O 3.04Å |
| 1057 | Q | 94 | Very high | 92.4 | Very high | 27 Ų | 27 | 39.4 Ų | 39.4 | 13% | 0.126 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.6 | -42.1 | -174.5 | -162.6 | -173.7 | 31.1 | 0 | 0 | 111.5 | A1053 A1054 A1061 F1071 E1075 L1081 | A1053-Q1057 VanDerWaalsContact O-CB 3.28Å; A1053-Q1057 WeakPolarHBondContact O-CB 3.47Å; A1053-Q1057 PolarHBondContact O-N 3.37Å; A1054-Q1057 PolarHBondContact O-N 2.81Å; Q1057-A1061 WeakPolarHBondContact O-CB 3.47Å; Q1057-A1061 PolarHBondContact O-N 2.88Å; Q1057-A1061 VanDerWaalsContact O-N 3.16Å; Q1057-F1071 HydrophobicContact CG-CE2 3.87Å; Q1057-F1071 HydrophobicContact CG-CZ 3.76Å; Q1057-E1075 PolarHBondContact NE2-OE2 3.43Å; Q1057-L1081 PolarHBondContact NE2-O 2.88Å |
| 1058 | F | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.4 | -42.5 | 176.3 | -81.3 | -74.4 | 0 | 0 | 0 | 112.3 | A1054 A1061 Y1062 F1071 I1082 M1083 I1085 V1115 Y1118 A1119 V1122 L1135 V1143 | A1054-F1058 HydrophobicContact CB-CD2 4.39Å; A1054-F1058 WeakPolarHBondContact O-CB 3.09Å; A1054-F1058 VanDerWaalsContact O-CD2 3.31Å; A1054-F1058 WeakPolarHBondContact O-CD2 3.41Å; A1054-F1058 PolarHBondContact O-N 3.39Å; F1058-A1061 PolarHBondContact O-N 3.48Å; F1058-Y1062 WeakPolarHBondContact O-CB 3.21Å; F1058-Y1062 PolarHBondContact O-N 3.28Å; F1058-F1071 AromaticContact CD1-CE1 3.99Å; F1058-F1071 HydrophobicContact CD1-CE1 3.99Å; F1058-F1071 AromaticContact CE1-CE1 3.86Å; F1058-F1071 HydrophobicContact CE1-CE1 3.86Å; F1058-F1071 HydrophobicContact CZ-CE1 4.48Å; F1058-I1082 HydrophobicContact CE1-CG2 4.39Å; F1058-I1082 HydrophobicContact CE2-CG2 4.04Å; F1058-I1082 HydrophobicContact CZ-CG2 3.73Å; F1058-M1083 VanDerWaalsContact CE2-O 3.29Å; F1058-M1083 WeakPolarHBondContact CE2-O 3.3Å; F1058-I1085 HydrophobicContact CZ-CD1 4.13Å; F1058-I1085 HydrophobicContact CZ-CG1 3.95Å; F1058-V1115 HydrophobicContact CB-CG1 4.1Å; F1058-Y1118 HydrophobicContact CD1-CD1 4.1Å; F1058-Y1118 HydrophobicContact CD1-CE1 4.34Å; F1058-A1119 HydrophobicContact CD1-CB 3.88Å; F1058-A1119 HydrophobicContact CE1-CB 3.7Å; F1058-A1119 HydrophobicContact CG-CB 4.39Å; F1058-A1119 HydrophobicContact CZ-CB 4.08Å; F1058-V1122 HydrophobicContact CE1-CB 3.92Å; F1058-V1122 HydrophobicContact CE1-CG1 3.92Å; F1058-V1122 HydrophobicContact CE1-CG2 4.01Å; F1058-V1122 HydrophobicContact CZ-CG1 4.26Å; F1058-L1135 HydrophobicContact CE2-CD1 4.29Å; F1058-L1135 HydrophobicContact CZ-CD1 4.3Å; F1058-V1143 HydrophobicContact CB-CG1 3.56Å; F1058-V1143 HydrophobicContact CD1-CG1 4.48Å; F1058-V1143 HydrophobicContact CD2-CG1 3.63Å; F1058-V1143 HydrophobicContact CE2-CG1 4.44Å; F1058-V1143 HydrophobicContact CG-CG1 3.66Å |
| 1059 | S | 92.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -46 | 177.8 | 68.8 | 0 | 0 | 0 | 0 | 111.3 | A1055 R1056 A1061 Y1062 D1063 | A1055-S1059 WeakPolarHBondContact O-CB 3.39Å; A1055-S1059 PolarHBondContact O-N 2.98Å; A1055-S1059 PolarHBondContact O-OG 3.32Å; R1056-S1059 PolarHBondContact O-OG 3.33Å; S1059-A1061 VanDerWaalsContact C-N 3.33Å; S1059-A1061 PolarHBondContact O-N 2.73Å; S1059-Y1062 PolarHBondContact O-N 3.15Å; S1059-D1063 WeakPolarHBondContact O-CB 3.2Å; S1059-D1063 PolarHBondContact O-N 3.17Å; S1059-D1063 VanDerWaalsContact O-OD2 3.12Å |
| 1060 | Q | 93.2 | Very high | 93.8 | Very high | 118 Ų | 118 | 47.5 Ų | 47.5 | 55% | 0.551 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.3 | -38.4 | 177.2 | -73 | 172.2 | 5 | 0 | 0 | 112.9 | R1056 A1064 | R1056-Q1060 VanDerWaalsContact O-CB 3.22Å; R1056-Q1060 WeakPolarHBondContact O-CB 3.45Å; R1056-Q1060 WeakPolarHBondContact O-CG 3.24Å; R1056-Q1060 PolarHBondContact O-N 3.24Å; Q1060-A1064 WeakPolarHBondContact O-CB 3.25Å; Q1060-A1064 PolarHBondContact O-N 2.94Å |
| 1061 | A | 95.4 | Very high | 94.1 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.033 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.1 | -41.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1057 F1058 S1059 L1066 F1071 Y1118 | Q1057-A1061 WeakPolarHBondContact O-CB 3.47Å; Q1057-A1061 PolarHBondContact O-N 2.88Å; Q1057-A1061 VanDerWaalsContact O-N 3.16Å; F1058-A1061 PolarHBondContact O-N 3.48Å; S1059-A1061 VanDerWaalsContact C-N 3.33Å; S1059-A1061 PolarHBondContact O-N 2.73Å; A1061-L1066 HydrophobicContact CB-CD1 4.39Å; A1061-L1066 WeakPolarHBondContact O-CB 3.36Å; A1061-L1066 PolarHBondContact O-N 2.85Å; A1061-F1071 HydrophobicContact CB-CB 4.13Å; A1061-F1071 HydrophobicContact CB-CD1 4.1Å; A1061-F1071 HydrophobicContact CB-CD2 3.45Å; A1061-F1071 VanDerWaalsContact CB-CD2 3.45Å; A1061-F1071 HydrophobicContact CB-CE1 4.38Å; A1061-F1071 HydrophobicContact CB-CE2 3.79Å; A1061-F1071 HydrophobicContact CB-CG 3.62Å; A1061-F1071 HydrophobicContact CB-CZ 4.24Å; A1061-Y1118 HydrophobicContact CB-CE1 4.18Å |
| 1062 | Y | 95.1 | Very high | 94.3 | Very high | 88 Ų | 88 | 46.8 Ų | 46.8 | 35% | 0.345 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65 | -47.1 | 175.4 | -177.8 | -94.2 | 0 | 0 | 0 | 111.5 | F1058 S1059 A1064 D1065 P1114 V1115 Y1118 | F1058-Y1062 WeakPolarHBondContact O-CB 3.21Å; F1058-Y1062 PolarHBondContact O-N 3.28Å; S1059-Y1062 PolarHBondContact O-N 3.15Å; Y1062-A1064 VanDerWaalsContact C-N 3.26Å; Y1062-A1064 PolarHBondContact O-N 2.97Å; Y1062-D1065 PolarHBondContact O-N 3.15Å; Y1062-P1114 HydrophobicContact CE1-CB 4.37Å; Y1062-P1114 HydrophobicContact CE2-CB 4.07Å; Y1062-P1114 WeakPolarHBondContact OH-CB 3.3Å; Y1062-V1115 HydrophobicContact CD1-CG2 4.09Å; Y1062-V1115 HydrophobicContact CG-CG2 4.2Å; Y1062-Y1118 AromaticContact CD2-CD2 3.74Å; Y1062-Y1118 HydrophobicContact CD2-CD2 3.74Å; Y1062-Y1118 HydrophobicContact CD2-CE2 4.45Å; Y1062-Y1118 AromaticContact CD2-CG 3.86Å; Y1062-Y1118 HydrophobicContact CD2-CG 3.86Å; Y1062-Y1118 HydrophobicContact CE2-CD2 4.49Å |
| 1063 | D | 93.1 | Very high | 94.5 | Very high | 80 Ų | 80 | 49.3 Ų | 49.3 | 43% | 0.428 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69.4 | -22.7 | -178.7 | -62.9 | -22.1 | 0 | 0 | 0 | 113.2 | S1059 D1065 R1150 | S1059-D1063 WeakPolarHBondContact O-CB 3.2Å; S1059-D1063 PolarHBondContact O-N 3.17Å; S1059-D1063 VanDerWaalsContact O-OD2 3.12Å; D1063-D1065 PolarHBondContact O-N 3.27Å; D1063-R1150 VanDerWaalsContact CG-NH1 3.29Å; D1063-R1150 IonicContact OD1-CZ 2.88Å; D1063-R1150 IonicContact OD1-NH1 3.6Å; D1063-R1150 PolarHBondContact OD1-NH1 3.27Å; D1063-R1150 IonicContact OD1-NH2 3.25Å; D1063-R1150 IonicContact OD2-CZ 2.89Å; D1063-R1150 IonicContact OD2-NH1 2.6Å; D1063-R1150 PolarHBondContact OD2-NH1 3.39Å; D1063-R1150 VanDerWaalsContact OD2-NH1 3.09Å; D1063-R1150 IonicContact OD2-NH2 2.78Å; D1063-R1150 PolarHBondContact OD2-NH2 3.08Å |
| 1064 | A | 94.3 | Very high | 94.6 | Very high | 61 Ų | 61 | 51.8 Ų | 51.8 | 50% | 0.504 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1060 Y1062 L1066 | Q1060-A1064 WeakPolarHBondContact O-CB 3.25Å; Q1060-A1064 PolarHBondContact O-N 2.94Å; Y1062-A1064 VanDerWaalsContact C-N 3.26Å; Y1062-A1064 PolarHBondContact O-N 2.97Å; A1064-L1066 HydrophobicContact CB-CD1 4.35Å; A1064-L1066 HydrophobicContact CB-CG 4.02Å; A1064-L1066 PolarHBondContact O-N 3.39Å; A1064-L1066 VanDerWaalsContact O-N 3.08Å |
| 1065 | D | 94 | Very high | 94.6 | Very high | 149 Ų | 149 | 52.2 Ų | 52.2 | 80% | 0.797 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 27.5 | -177.1 | -69.7 | -46.4 | 0 | 0 | 0 | 113.5 | Y1062 D1063 T1067 | Y1062-D1065 PolarHBondContact O-N 3.15Å; D1063-D1065 PolarHBondContact O-N 3.27Å; D1065-T1067 PolarHBondContact O-N 3.23Å |
| 1066 | L | 95.1 | Very high | 94.5 | Very high | 37 Ų | 37 | 60.6 Ų | 60.6 | 19% | 0.194 | 30% | 0.3 | C | S | . | . | trans | -74.1 | 127.1 | 176 | -61.4 | 175.9 | 0 | 0 | 0 | 108.6 | A1061 A1064 Q1070 F1071 Y1118 | A1061-L1066 HydrophobicContact CB-CD1 4.39Å; A1061-L1066 WeakPolarHBondContact O-CB 3.36Å; A1061-L1066 PolarHBondContact O-N 2.85Å; A1064-L1066 HydrophobicContact CB-CD1 4.35Å; A1064-L1066 HydrophobicContact CB-CG 4.02Å; A1064-L1066 PolarHBondContact O-N 3.39Å; A1064-L1066 VanDerWaalsContact O-N 3.08Å; L1066-Q1070 HydrophobicContact CB-CB 4.34Å; L1066-Q1070 HydrophobicContact CD2-CB 4.44Å; L1066-F1071 HydrophobicContact CB-CB 4.38Å; L1066-Y1118 WeakPolarHBondContact O-CE2 3.16Å; L1066-Y1118 VanDerWaalsContact O-CZ 3.27Å; L1066-Y1118 PolarHBondContact O-OH 3.28Å | ||
| 1067 | T | 96.2 | Very high | 94.6 | Very high | 66 Ų | 66 | 64.6 Ų | 64.6 | 41% | 0.405 | 32% | 0.322 | S | S | . | . | trans | -60.5 | 151.3 | 168 | 60.5 | 0 | 0 | 0 | 0 | 110.4 | D1065 I1069 Q1070 F1071 | D1065-T1067 PolarHBondContact O-N 3.23Å; T1067-I1069 PolarHBondContact O-N 3.18Å; T1067-Q1070 WeakPolarHBondContact O-CA 3.47Å; T1067-Q1070 WeakPolarHBondContact O-CB 3.45Å; T1067-Q1070 PolarHBondContact O-N 3.42Å; T1067-Q1070 WeakPolarHBondContact OG1-CB 3.47Å; T1067-Q1070 WeakPolarHBondContact OG1-CG 3.4Å; T1067-Q1070 PolarHBondContact OG1-N 3.44Å; T1067-Q1070 PolarHBondContact OG1-OE1 2.95Å; T1067-F1071 PolarHBondContact O-N 3.15Å | ||
| 1068 | P | 95.2 | Very high | 94.5 | Very high | 29 Ų | 29 | 65.2 Ų | 65.2 | 19% | 0.188 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -49.5 | -35.7 | 178.8 | -33.4 | 38.4 | 0 | 0 | 0 | 114 | V1072 Y1118 E1121 V1122 I1125 | P1068-V1072 WeakPolarHBondContact O-CG2 3.46Å; P1068-V1072 PolarHBondContact O-N 2.92Å; P1068-Y1118 HydrophobicContact CG-CD2 3.91Å; P1068-Y1118 HydrophobicContact CG-CE2 3.7Å; P1068-E1121 HydrophobicContact CB-CB 4.13Å; P1068-E1121 HydrophobicContact CG-CB 3.74Å; P1068-V1122 HydrophobicContact CB-CG2 3.73Å; P1068-V1122 HydrophobicContact CG-CG2 4.48Å; P1068-I1125 HydrophobicContact CB-CD1 3.57Å |
| 1069 | I | 95.5 | Very high | 94.4 | Very high | 93 Ų | 93 | 70.8 Ų | 70.8 | 48% | 0.477 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -75.8 | -34.6 | 177.3 | -162.9 | 145.4 | 0 | 0 | 0 | 113.5 | T1067 N1073 I1125 | T1067-I1069 PolarHBondContact O-N 3.18Å; I1069-N1073 VanDerWaalsContact O-CB 3.29Å; I1069-N1073 WeakPolarHBondContact O-CB 3.22Å; I1069-N1073 PolarHBondContact O-N 2.94Å; I1069-N1073 PolarHBondContact O-ND2 3.48Å; I1069-N1073 VanDerWaalsContact O-ND2 3.09Å; I1069-I1125 HydrophobicContact CB-CD1 3.87Å |
| 1070 | Q | 96.1 | Very high | 94.4 | Very high | 97 Ų | 97 | 77.1 Ų | 77.1 | 45% | 0.453 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 172.4 | -77.7 | 165.4 | -35.9 | 0 | 0 | 110.3 | L1066 T1067 N1073 Q1074 | L1066-Q1070 HydrophobicContact CB-CB 4.34Å; L1066-Q1070 HydrophobicContact CD2-CB 4.44Å; T1067-Q1070 WeakPolarHBondContact O-CA 3.47Å; T1067-Q1070 WeakPolarHBondContact O-CB 3.45Å; T1067-Q1070 PolarHBondContact O-N 3.42Å; T1067-Q1070 WeakPolarHBondContact OG1-CB 3.47Å; T1067-Q1070 WeakPolarHBondContact OG1-CG 3.4Å; T1067-Q1070 PolarHBondContact OG1-N 3.44Å; T1067-Q1070 PolarHBondContact OG1-OE1 2.95Å; Q1070-N1073 PolarHBondContact O-N 2.95Å; Q1070-Q1074 VanDerWaalsContact O-CB 3.32Å; Q1070-Q1074 WeakPolarHBondContact O-CB 3.31Å; Q1070-Q1074 PolarHBondContact O-N 2.99Å |
| 1071 | F | 96.5 | Very high | 94.4 | Very high | 4 Ų | 4 | 78.7 Ų | 78.7 | 2% | 0.018 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.7 | -50.4 | 176.1 | 171.3 | -129.8 | 0 | 0 | 0 | 112.3 | Q1057 F1058 A1061 L1066 T1067 N1073 Q1074 E1075 I1082 Y1118 V1122 | Q1057-F1071 HydrophobicContact CG-CE2 3.87Å; Q1057-F1071 HydrophobicContact CG-CZ 3.76Å; F1058-F1071 AromaticContact CD1-CE1 3.99Å; F1058-F1071 HydrophobicContact CD1-CE1 3.99Å; F1058-F1071 AromaticContact CE1-CE1 3.86Å; F1058-F1071 HydrophobicContact CE1-CE1 3.86Å; F1058-F1071 HydrophobicContact CZ-CE1 4.48Å; A1061-F1071 HydrophobicContact CB-CB 4.13Å; A1061-F1071 HydrophobicContact CB-CD1 4.1Å; A1061-F1071 HydrophobicContact CB-CD2 3.45Å; A1061-F1071 VanDerWaalsContact CB-CD2 3.45Å; A1061-F1071 HydrophobicContact CB-CE1 4.38Å; A1061-F1071 HydrophobicContact CB-CE2 3.79Å; A1061-F1071 HydrophobicContact CB-CG 3.62Å; A1061-F1071 HydrophobicContact CB-CZ 4.24Å; L1066-F1071 HydrophobicContact CB-CB 4.38Å; T1067-F1071 PolarHBondContact O-N 3.15Å; F1071-N1073 PolarHBondContact O-N 3.38Å; F1071-Q1074 PolarHBondContact O-N 3.41Å; F1071-Q1074 VanDerWaalsContact O-N 3.16Å; F1071-E1075 HydrophobicContact CD2-CG 3.91Å; F1071-E1075 HydrophobicContact CE2-CG 3.44Å; F1071-E1075 VanDerWaalsContact CE2-CG 3.44Å; F1071-E1075 HydrophobicContact CZ-CG 4.08Å; F1071-E1075 PolarHBondContact O-N 3Å; F1071-I1082 HydrophobicContact CE1-CD1 4.19Å; F1071-I1082 HydrophobicContact CE1-CG1 4.34Å; F1071-I1082 HydrophobicContact CE1-CG2 3.79Å; F1071-I1082 HydrophobicContact CZ-CG1 4.27Å; F1071-I1082 HydrophobicContact CZ-CG2 3.84Å; F1071-Y1118 VanDerWaalsContact CB-OH 3.31Å; F1071-Y1118 WeakPolarHBondContact CB-OH 3.43Å; F1071-Y1118 HydrophobicContact CD1-CE1 4.11Å; F1071-V1122 HydrophobicContact CD1-CG1 4.32Å; F1071-V1122 HydrophobicContact CD1-CG2 3.8Å; F1071-V1122 HydrophobicContact CE1-CG1 4.32Å; F1071-V1122 HydrophobicContact CE1-CG2 4.33Å |
| 1072 | V | 95.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 79.5 Ų | 79.5 | 2% | 0.024 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.9 | -37.5 | 177.4 | 170.6 | 0 | 0 | 0 | 0 | 112 | P1068 R1076 I1082 V1122 I1125 T1126 | P1068-V1072 WeakPolarHBondContact O-CG2 3.46Å; P1068-V1072 PolarHBondContact O-N 2.92Å; V1072-R1076 WeakPolarHBondContact O-CB 3.49Å; V1072-R1076 PolarHBondContact O-N 3.38Å; V1072-I1082 HydrophobicContact CB-CD1 4.33Å; V1072-I1082 HydrophobicContact CG2-CD1 3.72Å; V1072-V1122 HydrophobicContact CG2-CG1 3.79Å; V1072-I1125 HydrophobicContact CB-CG2 4.31Å; V1072-I1125 HydrophobicContact CG1-CG2 4.09Å; V1072-I1125 HydrophobicContact CG2-CB 4.42Å; V1072-I1125 HydrophobicContact CG2-CG2 4.12Å; V1072-T1126 HydrophobicContact CG2-CG2 4.13Å |
| 1073 | N | 94.7 | Very high | 94.3 | Very high | 66 Ų | 66 | 78.8 Ų | 78.8 | 35% | 0.353 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -73.6 | -38.2 | 178.1 | -73.5 | -26.8 | 0 | 0 | 0 | 112.2 | I1069 Q1070 F1071 R1076 Q1077 | I1069-N1073 VanDerWaalsContact O-CB 3.29Å; I1069-N1073 WeakPolarHBondContact O-CB 3.22Å; I1069-N1073 PolarHBondContact O-N 2.94Å; I1069-N1073 PolarHBondContact O-ND2 3.48Å; I1069-N1073 VanDerWaalsContact O-ND2 3.09Å; Q1070-N1073 PolarHBondContact O-N 2.95Å; F1071-N1073 PolarHBondContact O-N 3.38Å; N1073-R1076 PolarHBondContact O-N 2.9Å; N1073-Q1077 WeakPolarHBondContact O-CB 3.37Å; N1073-Q1077 VanDerWaalsContact O-CG 3.29Å; N1073-Q1077 WeakPolarHBondContact O-CG 3.3Å; N1073-Q1077 PolarHBondContact O-N 3.05Å |
| 1074 | Q | 94.4 | Very high | 94.4 | Very high | 83 Ų | 83 | 75.1 Ų | 75.1 | 39% | 0.388 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 176.7 | 177.7 | 173 | -20.1 | 0 | 0 | 111.4 | Q1070 F1071 R1076 Q1077 A1078 | Q1070-Q1074 VanDerWaalsContact O-CB 3.32Å; Q1070-Q1074 WeakPolarHBondContact O-CB 3.31Å; Q1070-Q1074 PolarHBondContact O-N 2.99Å; F1071-Q1074 PolarHBondContact O-N 3.41Å; F1071-Q1074 VanDerWaalsContact O-N 3.16Å; Q1074-R1076 VanDerWaalsContact C-N 3.32Å; Q1074-R1076 PolarHBondContact O-N 2.64Å; Q1074-Q1077 PolarHBondContact O-N 3.35Å; Q1074-A1078 WeakPolarHBondContact O-CB 3.38Å; Q1074-A1078 PolarHBondContact O-N 3.08Å |
| 1075 | E | 94.1 | Very high | 94.5 | Very high | 9 Ų | 9 | 73.4 Ų | 73.4 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 177.4 | -68.8 | -54.5 | 119.7 | 0 | 0 | 111.8 | Q1057 F1071 A1078 S1079 R1080 I1082 | Q1057-E1075 PolarHBondContact NE2-OE2 3.43Å; F1071-E1075 HydrophobicContact CD2-CG 3.91Å; F1071-E1075 HydrophobicContact CE2-CG 3.44Å; F1071-E1075 VanDerWaalsContact CE2-CG 3.44Å; F1071-E1075 HydrophobicContact CZ-CG 4.08Å; F1071-E1075 PolarHBondContact O-N 3Å; E1075-A1078 CarbonylContact O-C 3.58Å; E1075-A1078 PolarHBondContact O-N 3.23Å; E1075-S1079 PolarHBondContact O-N 2.96Å; E1075-S1079 VanDerWaalsContact O-N 3.12Å; E1075-R1080 CarbonylContact C-O 3.56Å; E1075-R1080 PolarHBondContact O-N 3.44Å; E1075-R1080 VanDerWaalsContact O-O 3.13Å; E1075-R1080 IonicContact OE1-CZ 2.71Å; E1075-R1080 IonicContact OE1-NE 3.69Å; E1075-R1080 IonicContact OE1-NH2 3.36Å; E1075-R1080 PolarHBondContact OE1-NH2 2.93Å; E1075-R1080 WeakPolarHBondContact OE2-CB 3.28Å; E1075-R1080 IonicContact OE2-CZ 3.52Å; E1075-R1080 IonicContact OE2-NE 2.84Å; E1075-R1080 PolarHBondContact OE2-NE 2.98Å; E1075-R1080 IonicContact OE2-NH2 2.77Å; E1075-R1080 PolarHBondContact OE2-NH2 3.49Å; E1075-I1082 HydrophobicContact CB-CG1 4.03Å; E1075-I1082 HydrophobicContact CG-CG1 4.1Å |
| 1076 | R | 92.2 | Very high | 94.5 | Very high | 176 Ų | 176 | 67.2 Ų | 67.2 | 66% | 0.664 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.7 | -44.9 | 172.7 | -176.6 | -175.8 | 177.7 | -179.4 | 0.7 | 112 | V1072 N1073 Q1074 A1078 S1079 | V1072-R1076 WeakPolarHBondContact O-CB 3.49Å; V1072-R1076 PolarHBondContact O-N 3.38Å; N1073-R1076 PolarHBondContact O-N 2.9Å; Q1074-R1076 VanDerWaalsContact C-N 3.32Å; Q1074-R1076 PolarHBondContact O-N 2.64Å; R1076-A1078 VanDerWaalsContact C-N 3.27Å; R1076-A1078 PolarHBondContact O-N 3.26Å; R1076-S1079 PolarHBondContact O-N 2.98Å; R1076-S1079 VanDerWaalsContact O-N 3.12Å |
| 1077 | Q | 93.5 | Very high | 94.5 | Very high | 165 Ų | 165 | 67.6 Ų | 67.6 | 77% | 0.771 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.8 | -36.2 | 177.5 | -76.1 | 175.2 | 6.5 | 0 | 0 | 111.3 | N1073 Q1074 S1079 | N1073-Q1077 WeakPolarHBondContact O-CB 3.37Å; N1073-Q1077 VanDerWaalsContact O-CG 3.29Å; N1073-Q1077 WeakPolarHBondContact O-CG 3.3Å; N1073-Q1077 PolarHBondContact O-N 3.05Å; Q1074-Q1077 PolarHBondContact O-N 3.35Å; Q1077-S1079 PolarHBondContact O-N 3.49Å |
| 1078 | A | 93.1 | Very high | 94.3 | Very high | 41 Ų | 41 | 75.9 Ų | 75.9 | 34% | 0.339 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q1074 E1075 R1076 R1080 | Q1074-A1078 WeakPolarHBondContact O-CB 3.38Å; Q1074-A1078 PolarHBondContact O-N 3.08Å; E1075-A1078 CarbonylContact O-C 3.58Å; E1075-A1078 PolarHBondContact O-N 3.23Å; R1076-A1078 VanDerWaalsContact C-N 3.27Å; R1076-A1078 PolarHBondContact O-N 3.26Å; A1078-R1080 HydrophobicContact CB-CG 4.32Å; A1078-R1080 PolarHBondContact O-N 3.27Å |
| 1079 | S | 93.2 | Very high | 94 | Very high | 116 Ų | 116 | 80.8 Ų | 80.8 | 81% | 0.811 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 31.9 | -174.7 | -58.3 | 0 | 0 | 0 | 0 | 113.7 | E1075 R1076 Q1077 | E1075-S1079 PolarHBondContact O-N 2.96Å; E1075-S1079 VanDerWaalsContact O-N 3.12Å; R1076-S1079 PolarHBondContact O-N 2.98Å; R1076-S1079 VanDerWaalsContact O-N 3.12Å; Q1077-S1079 PolarHBondContact O-N 3.49Å |
| 1080 | R | 92.3 | Very high | 94 | Very high | 133 Ų | 133 | 79 Ų | 79 | 50% | 0.502 | 38% | 0.382 | S | S | . | . | trans | -106.7 | 148.3 | 175.7 | -69.2 | -170.1 | -57.7 | -102.7 | 1.1 | 110.1 | E1075 A1078 | E1075-R1080 CarbonylContact C-O 3.56Å; E1075-R1080 PolarHBondContact O-N 3.44Å; E1075-R1080 VanDerWaalsContact O-O 3.13Å; E1075-R1080 IonicContact OE1-CZ 2.71Å; E1075-R1080 IonicContact OE1-NE 3.69Å; E1075-R1080 IonicContact OE1-NH2 3.36Å; E1075-R1080 PolarHBondContact OE1-NH2 2.93Å; E1075-R1080 WeakPolarHBondContact OE2-CB 3.28Å; E1075-R1080 IonicContact OE2-CZ 3.52Å; E1075-R1080 IonicContact OE2-NE 2.84Å; E1075-R1080 PolarHBondContact OE2-NE 2.98Å; E1075-R1080 IonicContact OE2-NH2 2.77Å; E1075-R1080 PolarHBondContact OE2-NH2 3.49Å; A1078-R1080 HydrophobicContact CB-CG 4.32Å; A1078-R1080 PolarHBondContact O-N 3.27Å | ||
| 1081 | L | 92.8 | Very high | 93.9 | Very high | 151 Ų | 151 | 75.2 Ų | 75.2 | 79% | 0.791 | 37% | 0.366 | S | S | * | . | trans | -85.2 | 151.2 | 169.5 | -61.6 | 177.6 | 0 | 0 | 0 | 109 | Q1057 M1083 | Q1057-L1081 PolarHBondContact NE2-O 2.88Å; L1081-M1083 PolarHBondContact O-N 2.97Å | ||
| 1082 | I | 95.1 | Very high | 93.6 | Very high | 21 Ų | 21 | 80 Ų | 80 | 11% | 0.108 | 39% | 0.391 | C | S | . | . | trans | -78.8 | 114.7 | 172.9 | -57.2 | 171.3 | 0 | 0 | 0 | 107.3 | F1058 F1071 V1072 E1075 I1085 V1122 T1126 | F1058-I1082 HydrophobicContact CE1-CG2 4.39Å; F1058-I1082 HydrophobicContact CE2-CG2 4.04Å; F1058-I1082 HydrophobicContact CZ-CG2 3.73Å; F1071-I1082 HydrophobicContact CE1-CD1 4.19Å; F1071-I1082 HydrophobicContact CE1-CG1 4.34Å; F1071-I1082 HydrophobicContact CE1-CG2 3.79Å; F1071-I1082 HydrophobicContact CZ-CG1 4.27Å; F1071-I1082 HydrophobicContact CZ-CG2 3.84Å; V1072-I1082 HydrophobicContact CB-CD1 4.33Å; V1072-I1082 HydrophobicContact CG2-CD1 3.72Å; E1075-I1082 HydrophobicContact CB-CG1 4.03Å; E1075-I1082 HydrophobicContact CG-CG1 4.1Å; I1082-I1085 HydrophobicContact CB-CB 4.13Å; I1082-I1085 HydrophobicContact CB-CG1 4Å; I1082-I1085 HydrophobicContact CG2-CB 4.23Å; I1082-I1085 HydrophobicContact CG2-CG1 3.59Å; I1082-I1085 PolarHBondContact O-N 2.92Å; I1082-I1085 VanDerWaalsContact O-N 3.15Å; I1082-V1122 HydrophobicContact CD1-CG1 4Å; I1082-T1126 HydrophobicContact CD1-CG2 4.15Å | ||
| 1083 | M | 94.8 | Very high | 93.4 | Very high | 73 Ų | 73 | 85.8 Ų | 85.8 | 36% | 0.36 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 135.5 | 177.3 | -62.6 | -57.8 | -66.6 | 0 | 0 | 109.3 | A1050 A1053 A1054 F1058 L1081 I1085 | A1050-M1083 HydrophobicContact CB-CE 4.43Å; A1053-M1083 HydrophobicContact CB-CB 4.07Å; A1053-M1083 HydrophobicContact CB-CE 3.89Å; A1053-M1083 HydrophobicContact CB-CG 3.94Å; A1054-M1083 HydrophobicContact CB-CB 4.3Å; A1054-M1083 WeakPolarHBondContact CB-O 3.27Å; F1058-M1083 VanDerWaalsContact CE2-O 3.29Å; F1058-M1083 WeakPolarHBondContact CE2-O 3.3Å; L1081-M1083 PolarHBondContact O-N 2.97Å; M1083-I1085 VanDerWaalsContact C-N 3.31Å |
| 1084 | G | 94.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 86 Ų | 86 | 4% | 0.041 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | -5.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1136 | G1084-N1136 WeakPolarHBondContact CA-OD1 3.35Å; G1084-N1136 PolarHBondContact O-N 3.36Å; G1084-N1136 PolarHBondContact O-OD1 3.48Å |
| 1085 | I | 96 | Very high | 93.3 | Very high | 25 Ų | 25 | 83.9 Ų | 83.9 | 13% | 0.128 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -106.5 | 129 | 174 | -62.7 | -70.5 | 0 | 0 | 0 | 110.7 | F1058 I1082 M1083 V1122 E1123 T1126 L1133 I1134 L1135 | F1058-I1085 HydrophobicContact CZ-CD1 4.13Å; F1058-I1085 HydrophobicContact CZ-CG1 3.95Å; I1082-I1085 HydrophobicContact CB-CB 4.13Å; I1082-I1085 HydrophobicContact CB-CG1 4Å; I1082-I1085 HydrophobicContact CG2-CB 4.23Å; I1082-I1085 HydrophobicContact CG2-CG1 3.59Å; I1082-I1085 PolarHBondContact O-N 2.92Å; I1082-I1085 VanDerWaalsContact O-N 3.15Å; M1083-I1085 VanDerWaalsContact C-N 3.31Å; I1085-V1122 HydrophobicContact CD1-CG1 4.45Å; I1085-E1123 HydrophobicContact CD1-CB 4.47Å; I1085-T1126 HydrophobicContact CG2-CG2 4.13Å; I1085-L1133 HydrophobicContact CG2-CB 4.03Å; I1085-I1134 WeakPolarHBondContact CA-O 3.47Å; I1085-L1135 HydrophobicContact CD1-CB 4.3Å; I1085-L1135 HydrophobicContact CD1-CD1 3.99Å |
| 1086 | G | 94.1 | Very high | 93.3 | Very high | 19 Ų | 19 | 83.9 Ų | 83.9 | 20% | 0.196 | 42% | 0.421 | C | S | . | . | trans | 116.5 | 140.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1134 N1136 | G1086-I1134 PolarHBondContact N-O 3.33Å; G1086-N1136 PolarHBondContact O-ND2 3.48Å | ||
| 1087 | H | 94.8 | Very high | 93.4 | Very high | 44 Ų | 44 | 81.7 Ų | 81.7 | 20% | 0.204 | 42% | 0.416 | C | S | . | . | trans | -138.6 | 148.9 | 173 | -166 | -67.6 | 0 | 0 | 0 | 110.7 | I1089 K1090 D1096 N1132 I1134 | H1087-I1089 PolarHBondContact ND1-N 3.48Å; H1087-K1090 HydrophobicContact CB-CB 4.07Å; H1087-K1090 VanDerWaalsContact CE1-CG 3.43Å; H1087-K1090 WeakPolarHBondContact CE1-CG 3.44Å; H1087-K1090 PolarHBondContact ND1-N 3.26Å; H1087-D1096 IonicContact CD2-OD2 3.65Å; H1087-N1132 PolarHBondContact N-O 3.29Å; H1087-N1132 PolarHBondContact O-ND2 3.05Å; H1087-I1134 HydrophobicContact CB-CD1 4.07Å; H1087-I1134 HydrophobicContact CB-CG1 3.97Å | ||
| 1088 | R | 91.6 | Very high | 93.5 | Very high | 241 Ų | 241 | 76.6 Ų | 76.6 | 91% | 0.909 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -69.2 | -44.9 | -179.9 | -68.5 | -175.5 | 179.3 | -179 | 0.4 | 113.4 | ||
| 1089 | I | 90.8 | Very high | 93.7 | Very high | 131 Ų | 131 | 75.4 Ų | 75.4 | 67% | 0.672 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -111.5 | -48.5 | -175.8 | -58.3 | 172.5 | 0 | 0 | 0 | 113.3 | H1087 | H1087-I1089 PolarHBondContact ND1-N 3.48Š|
| 1090 | K | 94.1 | Very high | 93.8 | Very high | 56 Ų | 56 | 73.1 Ų | 73.1 | 24% | 0.243 | 36% | 0.355 | C | S | . | . | trans | -64.5 | 148.5 | -179.1 | -56.7 | -64.2 | -178.2 | 171 | 0 | 111.9 | H1087 N1094 D1096 I1134 | H1087-K1090 HydrophobicContact CB-CB 4.07Å; H1087-K1090 VanDerWaalsContact CE1-CG 3.43Å; H1087-K1090 WeakPolarHBondContact CE1-CG 3.44Å; H1087-K1090 PolarHBondContact ND1-N 3.26Å; K1090-N1094 VanDerWaalsContact CA-O 3.26Å; K1090-N1094 WeakPolarHBondContact CA-O 3.11Å; K1090-N1094 VanDerWaalsContact CB-O 3.3Å; K1090-N1094 WeakPolarHBondContact CB-O 3.48Å; K1090-N1094 VanDerWaalsContact CD-O 3.23Å; K1090-N1094 WeakPolarHBondContact CD-O 3.43Å; K1090-N1094 PolarHBondContact NZ-OD1 2.7Å; K1090-D1096 HydrophobicContact CB-CB 4.39Å; K1090-D1096 HydrophobicContact CG-CB 4.08Å; K1090-I1134 HydrophobicContact CB-CD1 3.67Å | ||
| 1091 | S | 93.4 | Very high | 93.9 | Very high | 17 Ų | 17 | 72.5 Ų | 72.5 | 12% | 0.119 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -147.9 | 175.8 | -175.6 | 66 | 0 | 0 | 0 | 0 | 110.1 | T1093 N1094 P1095 P1131 | S1091-T1093 PolarHBondContact O-N 2.97Å; S1091-T1093 PolarHBondContact OG-N 3.12Å; S1091-T1093 PolarHBondContact OG-OG1 2.85Å; S1091-T1093 VanDerWaalsContact OG-OG1 3.05Å; S1091-N1094 PolarHBondContact N-O 2.9Å; S1091-N1094 CarbonylContact O-C 3.31Å; S1091-N1094 PolarHBondContact O-N 2.91Å; S1091-N1094 PolarHBondContact OG-N 3.37Å; S1091-N1094 VanDerWaalsContact OG-N 3.16Å; S1091-P1095 WeakPolarHBondContact O-CA 3.42Å; S1091-P1131 CarbonylContact C-O 3.51Å; S1091-P1131 WeakPolarHBondContact CA-O 3.42Å; S1091-P1131 VanDerWaalsContact CB-O 3.27Å; S1091-P1131 WeakPolarHBondContact CB-O 3.41Å |
| 1092 | I | 91.5 | Very high | 94.1 | Very high | 105 Ų | 105 | 65.3 Ų | 65.3 | 54% | 0.538 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -30.6 | 174.4 | -161.8 | 167.9 | 0 | 0 | 0 | 113 | T1127 P1131 I1134 | I1092-T1127 HydrophobicContact CB-CG2 4.47Å; I1092-T1127 HydrophobicContact CD1-CG2 4.45Å; I1092-P1131 HydrophobicContact CG2-CB 4.12Å; I1092-P1131 PolarHBondContact N-O 3.39Å; I1092-I1134 HydrophobicContact CB-CG2 4.47Å |
| 1093 | T | 91.3 | Very high | 94.1 | Very high | 126 Ų | 126 | 65 Ų | 65 | 77% | 0.773 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -17.5 | 176.6 | 55 | 0 | 0 | 0 | 0 | 113.7 | S1091 | S1091-T1093 PolarHBondContact O-N 2.97Å; S1091-T1093 PolarHBondContact OG-N 3.12Å; S1091-T1093 PolarHBondContact OG-OG1 2.85Å; S1091-T1093 VanDerWaalsContact OG-OG1 3.05Å |
| 1094 | N | 93.7 | Very high | 94.2 | Very high | 69 Ų | 69 | 66.6 Ų | 66.6 | 37% | 0.369 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -131.3 | 76.3 | 176.7 | 177.5 | 17.5 | 0 | 0 | 0 | 109.1 | K1090 S1091 | K1090-N1094 VanDerWaalsContact CA-O 3.26Å; K1090-N1094 WeakPolarHBondContact CA-O 3.11Å; K1090-N1094 VanDerWaalsContact CB-O 3.3Å; K1090-N1094 WeakPolarHBondContact CB-O 3.48Å; K1090-N1094 VanDerWaalsContact CD-O 3.23Å; K1090-N1094 WeakPolarHBondContact CD-O 3.43Å; K1090-N1094 PolarHBondContact NZ-OD1 2.7Å; S1091-N1094 PolarHBondContact N-O 2.9Å; S1091-N1094 CarbonylContact O-C 3.31Å; S1091-N1094 PolarHBondContact O-N 2.91Å; S1091-N1094 PolarHBondContact OG-N 3.37Å; S1091-N1094 VanDerWaalsContact OG-N 3.16Å |
| 1095 | P | 92.2 | Very high | 94.3 | Very high | 40 Ų | 40 | 68 Ų | 68 | 26% | 0.26 | 34% | 0.338 | S | S | . | . | trans | -69.3 | 151.4 | -169.4 | 26.2 | -34.3 | 0 | 0 | 0 | 112.5 | S1091 K1097 Q1100 | S1091-P1095 WeakPolarHBondContact O-CA 3.42Å; P1095-K1097 PolarHBondContact O-N 3Å; P1095-Q1100 HydrophobicContact CB-CG 3.86Å; P1095-Q1100 VanDerWaalsContact CB-NE2 3.27Å; P1095-Q1100 VanDerWaalsContact CG-CD 3.43Å; P1095-Q1100 HydrophobicContact CG-CG 4.32Å | ||
| 1096 | D | 94.9 | Very high | 94.4 | Very high | 8 Ų | 8 | 66.9 Ų | 66.9 | 4% | 0.043 | 33% | 0.331 | C | S | . | . | trans | -71.6 | 116.3 | 170.4 | -170.7 | -21.7 | 0 | 0 | 0 | 109.4 | H1087 K1090 R1098 V1099 Q1100 | H1087-D1096 IonicContact CD2-OD2 3.65Å; K1090-D1096 HydrophobicContact CB-CB 4.39Å; K1090-D1096 HydrophobicContact CG-CB 4.08Å; D1096-R1098 PolarHBondContact O-N 2.95Å; D1096-R1098 WeakPolarHBondContact OD1-CB 3.37Å; D1096-R1098 IonicContact OD1-CZ 2.69Å; D1096-R1098 PolarHBondContact OD1-N 2.97Å; D1096-R1098 IonicContact OD1-NE 2.7Å; D1096-R1098 PolarHBondContact OD1-NE 3.45Å; D1096-R1098 VanDerWaalsContact OD1-NE 3.15Å; D1096-R1098 IonicContact OD1-NH2 3.33Å; D1096-R1098 IonicContact OD2-CZ 3.88Å; D1096-R1098 IonicContact OD2-NE 3.09Å; D1096-R1098 PolarHBondContact OD2-NE 3.45Å; D1096-R1098 IonicContact OD2-NH2 2.64Å; D1096-R1098 PolarHBondContact OD2-NH2 3.12Å; D1096-V1099 HydrophobicContact CB-CB 4.21Å; D1096-V1099 HydrophobicContact CB-CG2 3.91Å; D1096-V1099 PolarHBondContact O-N 2.97Å; D1096-V1099 VanDerWaalsContact O-N 3.15Å; D1096-Q1100 WeakPolarHBondContact O-CG 3.26Å; D1096-Q1100 PolarHBondContact O-N 3.31Å | ||
| 1097 | K | 94.8 | Very high | 94.5 | Very high | 130 Ų | 130 | 69.5 Ų | 69.5 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.3 | -30.1 | -178.2 | -73.2 | -70.4 | 173.1 | -164.2 | 0 | 112.7 | P1095 Q1100 L1101 | P1095-K1097 PolarHBondContact O-N 3Å; K1097-Q1100 PolarHBondContact O-N 2.9Å; K1097-L1101 WeakPolarHBondContact O-CB 3.47Å; K1097-L1101 WeakPolarHBondContact O-CG 3.37Å; K1097-L1101 PolarHBondContact O-N 2.95Å |
| 1098 | R | 95.5 | Very high | 94.6 | Very high | 59 Ų | 59 | 74.5 Ų | 74.5 | 22% | 0.223 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 177 | -60.8 | 169.5 | -62.9 | 175.2 | 0.2 | 110.9 | I1008 H1012 D1096 L1102 V1137 | I1008-R1098 HydrophobicContact CG2-CB 4.07Å; I1008-R1098 HydrophobicContact CG2-CG 4.29Å; H1012-R1098 PolarHBondContact CD2-NH1 3.44Å; H1012-R1098 PolarHBondContact NE2-NH1 3.48Å; H1012-R1098 VanDerWaalsContact NE2-NH1 3.17Å; D1096-R1098 PolarHBondContact O-N 2.95Å; D1096-R1098 WeakPolarHBondContact OD1-CB 3.37Å; D1096-R1098 IonicContact OD1-CZ 2.69Å; D1096-R1098 PolarHBondContact OD1-N 2.97Å; D1096-R1098 IonicContact OD1-NE 2.7Å; D1096-R1098 PolarHBondContact OD1-NE 3.45Å; D1096-R1098 VanDerWaalsContact OD1-NE 3.15Å; D1096-R1098 IonicContact OD1-NH2 3.33Å; D1096-R1098 IonicContact OD2-CZ 3.88Å; D1096-R1098 IonicContact OD2-NE 3.09Å; D1096-R1098 PolarHBondContact OD2-NE 3.45Å; D1096-R1098 IonicContact OD2-NH2 2.64Å; D1096-R1098 PolarHBondContact OD2-NH2 3.12Å; R1098-L1102 VanDerWaalsContact O-CB 3.29Å; R1098-L1102 WeakPolarHBondContact O-CB 3.36Å; R1098-L1102 PolarHBondContact O-N 3.2Å; R1098-V1137 HydrophobicContact CB-CB 4.41Å; R1098-V1137 HydrophobicContact CB-CG2 3.78Å |
| 1099 | V | 96.1 | Very high | 94.8 | Very high | 15 Ų | 15 | 66.6 Ų | 66.6 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 175.7 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | D1096 L1101 L1102 S1103 N1136 V1137 M1140 | D1096-V1099 HydrophobicContact CB-CB 4.21Å; D1096-V1099 HydrophobicContact CB-CG2 3.91Å; D1096-V1099 PolarHBondContact O-N 2.97Å; D1096-V1099 VanDerWaalsContact O-N 3.15Å; V1099-L1101 PolarHBondContact O-N 3.17Å; V1099-L1102 PolarHBondContact O-N 3.04Å; V1099-S1103 WeakPolarHBondContact O-CB 3.44Å; V1099-S1103 PolarHBondContact O-N 3.31Å; V1099-N1136 VanDerWaalsContact CG2-C 3.46Å; V1099-V1137 HydrophobicContact CG2-CB 4.01Å; V1099-V1137 VanDerWaalsContact CG2-N 3.34Å; V1099-M1140 HydrophobicContact CG1-CB 4.15Å; V1099-M1140 HydrophobicContact CG1-CG 4.19Å; V1099-M1140 HydrophobicContact CG1-SD 4.45Å; V1099-M1140 HydrophobicContact CG2-CB 4.49Å |
| 1100 | Q | 94.6 | Very high | 95.1 | Very high | 68 Ų | 68 | 61.2 Ų | 61.2 | 32% | 0.318 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.6 | -48.3 | 178.4 | -68.5 | -164.6 | -45.2 | 0 | 0 | 112.5 | P1095 D1096 K1097 N1104 | P1095-Q1100 HydrophobicContact CB-CG 3.86Å; P1095-Q1100 VanDerWaalsContact CB-NE2 3.27Å; P1095-Q1100 VanDerWaalsContact CG-CD 3.43Å; P1095-Q1100 HydrophobicContact CG-CG 4.32Å; D1096-Q1100 WeakPolarHBondContact O-CG 3.26Å; D1096-Q1100 PolarHBondContact O-N 3.31Å; K1097-Q1100 PolarHBondContact O-N 2.9Å; Q1100-N1104 WeakPolarHBondContact O-CB 3.26Å; Q1100-N1104 PolarHBondContact O-N 2.95Å; Q1100-N1104 PolarHBondContact O-OD1 3.19Å |
| 1101 | L | 95.8 | Very high | 95 | Very high | 120 Ų | 120 | 63.8 Ų | 63.8 | 63% | 0.628 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.8 | -42.9 | -178.4 | -69.7 | 170.4 | 0 | 0 | 0 | 111.6 | K1097 V1099 Y1105 | K1097-L1101 WeakPolarHBondContact O-CB 3.47Å; K1097-L1101 WeakPolarHBondContact O-CG 3.37Å; K1097-L1101 PolarHBondContact O-N 2.95Å; V1099-L1101 PolarHBondContact O-N 3.17Å; L1101-Y1105 WeakPolarHBondContact O-CB 3.49Å; L1101-Y1105 PolarHBondContact O-N 3.48Å; L1101-Y1105 VanDerWaalsContact O-N 3.08Å |
| 1102 | L | 95.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.3 | -42.7 | 179 | -168.8 | 65.1 | 0 | 0 | 0 | 111.8 | F1001 L1004 I1008 R1098 V1099 Y1105 V1106 M1140 I1141 | F1001-L1102 HydrophobicContact CD2-CD1 3.77Å; F1001-L1102 HydrophobicContact CE2-CD1 3.68Å; F1001-L1102 HydrophobicContact CE2-CD2 4.31Å; F1001-L1102 HydrophobicContact CE2-CG 4.16Å; L1004-L1102 HydrophobicContact CB-CD1 4.35Å; I1008-L1102 HydrophobicContact CD1-CB 4.21Å; I1008-L1102 HydrophobicContact CD1-CD1 4.26Å; I1008-L1102 HydrophobicContact CD1-CD2 4.46Å; R1098-L1102 VanDerWaalsContact O-CB 3.29Å; R1098-L1102 WeakPolarHBondContact O-CB 3.36Å; R1098-L1102 PolarHBondContact O-N 3.2Å; V1099-L1102 PolarHBondContact O-N 3.04Å; L1102-Y1105 PolarHBondContact O-N 3.05Å; L1102-V1106 HydrophobicContact CG-CG2 4.5Å; L1102-V1106 WeakPolarHBondContact O-CB 3.32Å; L1102-V1106 VanDerWaalsContact O-CG2 3.23Å; L1102-V1106 WeakPolarHBondContact O-CG2 3.44Å; L1102-V1106 PolarHBondContact O-N 2.69Å; L1102-M1140 HydrophobicContact CB-CG 4.36Å; L1102-M1140 HydrophobicContact CD2-CG 3.97Å; L1102-M1140 HydrophobicContact CG-CG 4.33Å; L1102-I1141 HydrophobicContact CD2-CB 4.38Å; L1102-I1141 HydrophobicContact CD2-CD1 4.47Å; L1102-I1141 HydrophobicContact CD2-CG1 3.4Å |
| 1103 | S | 95.8 | Very high | 95.3 | Very high | 15 Ų | 15 | 60.8 Ų | 60.8 | 11% | 0.105 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 176.7 | -173.1 | 0 | 0 | 0 | 0 | 111.3 | V1099 Y1105 V1106 H1107 | V1099-S1103 WeakPolarHBondContact O-CB 3.44Å; V1099-S1103 PolarHBondContact O-N 3.31Å; S1103-Y1105 VanDerWaalsContact C-N 3.34Å; S1103-Y1105 PolarHBondContact O-N 3.33Å; S1103-V1106 PolarHBondContact O-N 2.99Å; S1103-H1107 PolarHBondContact O-N 2.81Å; S1103-H1107 PolarHBondContact O-ND1 2.89Å; S1103-H1107 PolarHBondContact OG-CE1 3.43Å; S1103-H1107 PolarHBondContact OG-ND1 3.3Å |
| 1104 | N | 96.4 | Very high | 95.6 | Very high | 106 Ų | 106 | 56.6 Ų | 56.6 | 57% | 0.567 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -58.7 | -46.6 | 175.6 | -71.4 | -2.9 | 0 | 0 | 0 | 111.4 | Q1100 V1106 H1107 E1108 | Q1100-N1104 WeakPolarHBondContact O-CB 3.26Å; Q1100-N1104 PolarHBondContact O-N 2.95Å; Q1100-N1104 PolarHBondContact O-OD1 3.19Å; N1104-V1106 PolarHBondContact O-N 3.2Å; N1104-H1107 PolarHBondContact O-N 3.12Å; N1104-E1108 VanDerWaalsContact O-CB 3.23Å; N1104-E1108 WeakPolarHBondContact O-CB 3.44Å; N1104-E1108 PolarHBondContact O-N 3.19Å |
| 1105 | Y | 97.6 | Very high | 95.7 | Very high | 34 Ų | 34 | 53.3 Ų | 53.3 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 178.5 | -177.8 | -88.5 | 0 | 0 | 0 | 112.1 | Y997 K1000 F1001 L1004 L1101 L1102 S1103 E1108 H1109 | Y997-Y1105 WeakPolarHBondContact CA-OH 3.21Å; Y997-Y1105 WeakPolarHBondContact O-CE1 3.36Å; Y997-Y1105 PolarHBondContact O-OH 3.09Å; K1000-Y1105 VanDerWaalsContact CB-OH 3.29Å; K1000-Y1105 WeakPolarHBondContact CB-OH 3.42Å; K1000-Y1105 HydrophobicContact CG-CE2 4.13Å; F1001-Y1105 HydrophobicContact CB-CE1 3.91Å; L1004-Y1105 HydrophobicContact CD1-CD1 3.98Å; L1004-Y1105 HydrophobicContact CD1-CD2 3.82Å; L1004-Y1105 HydrophobicContact CD1-CE1 4.26Å; L1004-Y1105 HydrophobicContact CD1-CE2 4.09Å; L1004-Y1105 HydrophobicContact CD1-CG 3.76Å; L1101-Y1105 WeakPolarHBondContact O-CB 3.49Å; L1101-Y1105 PolarHBondContact O-N 3.48Å; L1101-Y1105 VanDerWaalsContact O-N 3.08Å; L1102-Y1105 PolarHBondContact O-N 3.05Å; S1103-Y1105 VanDerWaalsContact C-N 3.34Å; S1103-Y1105 PolarHBondContact O-N 3.33Å; Y1105-E1108 PolarHBondContact O-N 2.88Å; Y1105-H1109 AromaticContact CD2-CE1 3.76Å; Y1105-H1109 AromaticContact CD2-ND1 3.64Å; Y1105-H1109 HydrophobicContact CE1-CB 4.43Å; Y1105-H1109 AromaticContact CE2-CE1 3.76Å; Y1105-H1109 AromaticContact CE2-ND1 3.7Å; Y1105-H1109 WeakPolarHBondContact O-CB 3.42Å; Y1105-H1109 PolarHBondContact O-N 3.45Å; Y1105-H1109 PolarHBondContact O-ND1 3.23Å |
| 1106 | V | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.5 | -49.9 | 180 | 166.6 | 0 | 0 | 0 | 0 | 111.1 | F1001 L1102 S1103 N1104 E1108 H1109 F1110 T1113 V1116 M1140 A1144 | F1001-V1106 HydrophobicContact CD2-CG2 3.95Å; F1001-V1106 HydrophobicContact CE2-CG2 3.8Å; L1102-V1106 HydrophobicContact CG-CG2 4.5Å; L1102-V1106 WeakPolarHBondContact O-CB 3.32Å; L1102-V1106 VanDerWaalsContact O-CG2 3.23Å; L1102-V1106 WeakPolarHBondContact O-CG2 3.44Å; L1102-V1106 PolarHBondContact O-N 2.69Å; S1103-V1106 PolarHBondContact O-N 2.99Å; N1104-V1106 PolarHBondContact O-N 3.2Å; V1106-E1108 VanDerWaalsContact C-N 3.29Å; V1106-E1108 PolarHBondContact O-N 3.04Å; V1106-H1109 PolarHBondContact O-N 3.35Å; V1106-F1110 HydrophobicContact CG1-CB 4.45Å; V1106-F1110 HydrophobicContact CG1-CD1 4.49Å; V1106-F1110 HydrophobicContact CG1-CD2 3.77Å; V1106-F1110 HydrophobicContact CG1-CE2 4.08Å; V1106-F1110 HydrophobicContact CG1-CG 4Å; V1106-F1110 HydrophobicContact CG2-CE1 4.2Å; V1106-F1110 HydrophobicContact CG2-CE2 4.24Å; V1106-F1110 HydrophobicContact CG2-CZ 4.03Å; V1106-F1110 WeakPolarHBondContact O-CB 3.27Å; V1106-F1110 PolarHBondContact O-N 2.7Å; V1106-T1113 HydrophobicContact CG1-CG2 3.55Å; V1106-V1116 HydrophobicContact CG1-CG1 4.48Å; V1106-V1116 HydrophobicContact CG1-CG2 4.08Å; V1106-M1140 HydrophobicContact CB-CE 4.24Å; V1106-M1140 HydrophobicContact CG1-CE 4.32Å; V1106-M1140 HydrophobicContact CG2-CE 4.22Å; V1106-A1144 HydrophobicContact CG1-CB 4.4Å; V1106-A1144 HydrophobicContact CG2-CB 3.8Å |
| 1107 | H | 96.5 | Very high | 96 | Very high | 75 Ų | 75 | 54.4 Ų | 54.4 | 35% | 0.347 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.9 | -28.2 | 179.2 | -67.8 | 88 | 0 | 0 | 0 | 113.4 | S1103 N1104 V1116 D1117 | S1103-H1107 PolarHBondContact O-N 2.81Å; S1103-H1107 PolarHBondContact O-ND1 2.89Å; S1103-H1107 PolarHBondContact OG-CE1 3.43Å; S1103-H1107 PolarHBondContact OG-ND1 3.3Å; N1104-H1107 PolarHBondContact O-N 3.12Å; H1107-V1116 VanDerWaalsContact CE1-CG1 3.49Å; H1107-V1116 WeakPolarHBondContact CE1-CG1 3.26Å; H1107-D1117 IonicContact CD2-OD1 3.85Å; H1107-D1117 IonicContact NE2-OD1 2.87Å; H1107-D1117 PolarHBondContact NE2-OD1 2.78Å |
| 1108 | E | 96.8 | Very high | 96.2 | Very high | 149 Ų | 149 | 49.1 Ų | 49.1 | 70% | 0.696 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -77.2 | -33.7 | 178.8 | -176.8 | 176.7 | -168.4 | 0 | 0 | 112.5 | N1104 Y1105 V1106 | N1104-E1108 VanDerWaalsContact O-CB 3.23Å; N1104-E1108 WeakPolarHBondContact O-CB 3.44Å; N1104-E1108 PolarHBondContact O-N 3.19Å; Y1105-E1108 PolarHBondContact O-N 2.88Å; V1106-E1108 VanDerWaalsContact C-N 3.29Å; V1106-E1108 PolarHBondContact O-N 3.04Å |
| 1109 | H | 96.7 | Very high | 96.3 | Very high | 75 Ų | 75 | 46.3 Ų | 46.3 | 35% | 0.347 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -117.1 | -21.6 | -168.6 | -58.4 | 80.4 | 0 | 0 | 0 | 115.6 | Y997 Y1105 V1106 | Y997-H1109 HydrophobicContact CD2-CB 4.41Å; Y997-H1109 HydrophobicContact CG-CB 4.31Å; Y1105-H1109 AromaticContact CD2-CE1 3.76Å; Y1105-H1109 AromaticContact CD2-ND1 3.64Å; Y1105-H1109 HydrophobicContact CE1-CB 4.43Å; Y1105-H1109 AromaticContact CE2-CE1 3.76Å; Y1105-H1109 AromaticContact CE2-ND1 3.7Å; Y1105-H1109 WeakPolarHBondContact O-CB 3.42Å; Y1105-H1109 PolarHBondContact O-N 3.45Å; Y1105-H1109 PolarHBondContact O-ND1 3.23Å; V1106-H1109 PolarHBondContact O-N 3.35Å |
| 1110 | F | 96.5 | Very high | 96.3 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | trans | -78.6 | 146.5 | -178.9 | -77.2 | 25.5 | 0 | 0 | 0 | 110.8 | Y997 F1001 V1106 T1113 A1144 D1147 L1148 | Y997-F1110 AromaticContact CD2-CD1 3.54Å; Y997-F1110 HydrophobicContact CD2-CD1 3.54Å; Y997-F1110 AromaticContact CD2-CE1 3.71Å; Y997-F1110 HydrophobicContact CD2-CE1 3.71Å; Y997-F1110 AromaticContact CE2-CD1 3.56Å; Y997-F1110 HydrophobicContact CE2-CD1 3.56Å; Y997-F1110 AromaticContact CE2-CE1 3.84Å; Y997-F1110 HydrophobicContact CE2-CE1 3.84Å; Y997-F1110 HydrophobicContact CE2-CG 4.17Å; F1001-F1110 HydrophobicContact CB-CE1 4.11Å; F1001-F1110 HydrophobicContact CB-CZ 4.23Å; F1001-F1110 HydrophobicContact CD1-CZ 4.1Å; F1001-F1110 HydrophobicContact CD2-CE1 4.15Å; F1001-F1110 AromaticContact CD2-CZ 3.77Å; F1001-F1110 HydrophobicContact CD2-CZ 3.77Å; F1001-F1110 HydrophobicContact CE1-CZ 4.4Å; F1001-F1110 HydrophobicContact CE2-CZ 4.09Å; F1001-F1110 HydrophobicContact CG-CE1 4.11Å; F1001-F1110 AromaticContact CG-CZ 3.76Å; F1001-F1110 HydrophobicContact CG-CZ 3.76Å; F1001-F1110 HydrophobicContact CZ-CZ 4.4Å; V1106-F1110 HydrophobicContact CG1-CB 4.45Å; V1106-F1110 HydrophobicContact CG1-CD1 4.49Å; V1106-F1110 HydrophobicContact CG1-CD2 3.77Å; V1106-F1110 HydrophobicContact CG1-CE2 4.08Å; V1106-F1110 HydrophobicContact CG1-CG 4Å; V1106-F1110 HydrophobicContact CG2-CE1 4.2Å; V1106-F1110 HydrophobicContact CG2-CE2 4.24Å; V1106-F1110 HydrophobicContact CG2-CZ 4.03Å; V1106-F1110 WeakPolarHBondContact O-CB 3.27Å; V1106-F1110 PolarHBondContact O-N 2.7Å; F1110-T1113 HydrophobicContact CB-CG2 3.81Å; F1110-T1113 HydrophobicContact CD2-CG2 4.4Å; F1110-T1113 HydrophobicContact CG-CG2 4.49Å; F1110-A1144 WeakPolarHBondContact CE2-O 3.4Å; F1110-D1147 HydrophobicContact CD2-CB 4.38Å; F1110-L1148 HydrophobicContact CE1-CD1 4.2Å; F1110-L1148 HydrophobicContact CE2-CB 3.62Å; F1110-L1148 HydrophobicContact CE2-CD1 4.16Å; F1110-L1148 HydrophobicContact CE2-CG 4.47Å; F1110-L1148 HydrophobicContact CZ-CB 3.85Å; F1110-L1148 HydrophobicContact CZ-CD1 3.81Å; F1110-L1148 HydrophobicContact CZ-CG 4.3Å | ||
| 1111 | V | 92 | Very high | 96.4 | Very high | 110 Ų | 110 | 48.2 Ų | 48.2 | 67% | 0.667 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -64.8 | -41.5 | 179.6 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1112 | A | 95 | Very high | 96.4 | Very high | 42 Ų | 42 | 42.5 Ų | 42.5 | 35% | 0.347 | 22% | 0.223 | S | C | . | . | trans | -153.1 | 148.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | S1151 | A1112-S1151 WeakPolarHBondContact O-CB 3.36Å; A1112-S1151 PolarHBondContact O-OG 2.95Å | ||
| 1113 | T | 97 | Very high | 96.4 | Very high | 17 Ų | 17 | 44.4 Ų | 44.4 | 10% | 0.104 | 23% | 0.232 | C | C | . | . | trans | -128.8 | 41.3 | -172.6 | 49.5 | 0 | 0 | 0 | 0 | 113.5 | V1106 F1110 V1115 V1116 D1117 D1147 | V1106-T1113 HydrophobicContact CG1-CG2 3.55Å; F1110-T1113 HydrophobicContact CB-CG2 3.81Å; F1110-T1113 HydrophobicContact CD2-CG2 4.4Å; F1110-T1113 HydrophobicContact CG-CG2 4.49Å; T1113-V1115 VanDerWaalsContact C-N 3.35Å; T1113-V1115 PolarHBondContact O-N 3.27Å; T1113-V1116 PolarHBondContact O-N 3.46Å; T1113-D1117 WeakPolarHBondContact O-CB 3.23Å; T1113-D1117 PolarHBondContact O-N 3.45Å; T1113-D1117 PolarHBondContact OG1-OD2 2.9Å; T1113-D1147 WeakPolarHBondContact CA-OD2 3.3Å | ||
| 1114 | P | 96.2 | Very high | 96.4 | Very high | 37 Ų | 37 | 48.9 Ų | 48.9 | 24% | 0.24 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.4 | -38.6 | -170 | 24.3 | -34.3 | 0 | 0 | 0 | 114.1 | Y1062 Y1118 D1147 | Y1062-P1114 HydrophobicContact CE1-CB 4.37Å; Y1062-P1114 HydrophobicContact CE2-CB 4.07Å; Y1062-P1114 WeakPolarHBondContact OH-CB 3.3Å; P1114-Y1118 VanDerWaalsContact O-CB 3.26Å; P1114-Y1118 WeakPolarHBondContact O-CB 3.24Å; P1114-Y1118 PolarHBondContact O-N 3.44Å; P1114-D1147 WeakPolarHBondContact CD-OD1 3.38Å; P1114-D1147 WeakPolarHBondContact CG-OD1 3.29Å |
| 1115 | V | 96.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -78.6 | -35.1 | -178.5 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | F1058 Y1062 T1113 Y1118 A1119 V1143 V1146 D1147 | F1058-V1115 HydrophobicContact CB-CG1 4.1Å; Y1062-V1115 HydrophobicContact CD1-CG2 4.09Å; Y1062-V1115 HydrophobicContact CG-CG2 4.2Å; T1113-V1115 VanDerWaalsContact C-N 3.35Å; T1113-V1115 PolarHBondContact O-N 3.27Å; V1115-Y1118 PolarHBondContact O-N 3.16Å; V1115-A1119 WeakPolarHBondContact O-CB 3.48Å; V1115-A1119 PolarHBondContact O-N 3.11Å; V1115-V1143 HydrophobicContact CG1-CB 3.96Å; V1115-V1143 HydrophobicContact CG1-CG1 4.01Å; V1115-V1146 HydrophobicContact CB-CG1 4.35Å; V1115-V1146 HydrophobicContact CG1-CG1 4.4Å; V1115-V1146 HydrophobicContact CG2-CG1 3.86Å; V1115-D1147 WeakPolarHBondContact CB-OD1 3.29Å; V1115-D1147 WeakPolarHBondContact CG2-OD1 3.31Å; V1115-D1147 PolarHBondContact N-OD1 3.33Å; V1115-D1147 PolarHBondContact N-OD2 3.04Å; V1115-D1147 VanDerWaalsContact N-OD2 3.16Å |
| 1116 | V | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.4 | -48.9 | 170.3 | 168.5 | 0 | 0 | 0 | 0 | 110.5 | V1106 H1107 T1113 Y1118 A1119 L1120 M1140 V1143 A1144 D1147 | V1106-V1116 HydrophobicContact CG1-CG1 4.48Å; V1106-V1116 HydrophobicContact CG1-CG2 4.08Å; H1107-V1116 VanDerWaalsContact CE1-CG1 3.49Å; H1107-V1116 WeakPolarHBondContact CE1-CG1 3.26Å; T1113-V1116 PolarHBondContact O-N 3.46Å; V1116-Y1118 VanDerWaalsContact C-N 3.32Å; V1116-Y1118 PolarHBondContact O-N 3.23Å; V1116-A1119 WeakPolarHBondContact O-CB 3.46Å; V1116-A1119 PolarHBondContact O-N 3.05Å; V1116-A1119 VanDerWaalsContact O-N 3.12Å; V1116-L1120 HydrophobicContact CG1-CD1 4.35Å; V1116-L1120 WeakPolarHBondContact O-CG 3.39Å; V1116-L1120 PolarHBondContact O-N 2.96Å; V1116-M1140 HydrophobicContact CB-CE 4.48Å; V1116-M1140 HydrophobicContact CG1-CE 3.68Å; V1116-M1140 HydrophobicContact CG1-SD 4.47Å; V1116-M1140 HydrophobicContact CG2-CE 3.92Å; V1116-V1143 HydrophobicContact CB-CG2 4.35Å; V1116-V1143 HydrophobicContact CG2-CB 4.34Å; V1116-V1143 HydrophobicContact CG2-CG2 3.79Å; V1116-A1144 HydrophobicContact CG2-CB 4.08Å; V1116-D1147 WeakPolarHBondContact CB-OD2 3.48Å; V1116-D1147 HydrophobicContact CG2-CB 4.46Å; V1116-D1147 WeakPolarHBondContact CG2-OD2 3.45Å; V1116-D1147 PolarHBondContact N-OD2 2.9Å |
| 1117 | D | 97.1 | Very high | 96.1 | Very high | 70 Ų | 70 | 45 Ų | 45 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 178.2 | -70.7 | -39.3 | 0 | 0 | 0 | 110.8 | H1107 T1113 A1119 L1120 E1121 | H1107-D1117 IonicContact CD2-OD1 3.85Å; H1107-D1117 IonicContact NE2-OD1 2.87Å; H1107-D1117 PolarHBondContact NE2-OD1 2.78Å; T1113-D1117 WeakPolarHBondContact O-CB 3.23Å; T1113-D1117 PolarHBondContact O-N 3.45Å; T1113-D1117 PolarHBondContact OG1-OD2 2.9Å; D1117-A1119 VanDerWaalsContact C-N 3.34Å; D1117-A1119 PolarHBondContact O-N 3.18Å; D1117-L1120 PolarHBondContact O-N 3.16Å; D1117-E1121 PolarHBondContact O-N 3.01Å |
| 1118 | Y | 97.6 | Very high | 96 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 8% | 0.078 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.8 | -44 | 173 | -175.1 | -90.3 | 0 | 0 | 0 | 112.2 | F1058 A1061 Y1062 L1066 P1068 F1071 P1114 V1115 V1116 L1120 E1121 V1122 | F1058-Y1118 HydrophobicContact CD1-CD1 4.1Å; F1058-Y1118 HydrophobicContact CD1-CE1 4.34Å; A1061-Y1118 HydrophobicContact CB-CE1 4.18Å; Y1062-Y1118 AromaticContact CD2-CD2 3.74Å; Y1062-Y1118 HydrophobicContact CD2-CD2 3.74Å; Y1062-Y1118 HydrophobicContact CD2-CE2 4.45Å; Y1062-Y1118 AromaticContact CD2-CG 3.86Å; Y1062-Y1118 HydrophobicContact CD2-CG 3.86Å; Y1062-Y1118 HydrophobicContact CE2-CD2 4.49Å; L1066-Y1118 WeakPolarHBondContact O-CE2 3.16Å; L1066-Y1118 VanDerWaalsContact O-CZ 3.27Å; L1066-Y1118 PolarHBondContact O-OH 3.28Å; P1068-Y1118 HydrophobicContact CG-CD2 3.91Å; P1068-Y1118 HydrophobicContact CG-CE2 3.7Å; F1071-Y1118 VanDerWaalsContact CB-OH 3.31Å; F1071-Y1118 WeakPolarHBondContact CB-OH 3.43Å; F1071-Y1118 HydrophobicContact CD1-CE1 4.11Å; P1114-Y1118 VanDerWaalsContact O-CB 3.26Å; P1114-Y1118 WeakPolarHBondContact O-CB 3.24Å; P1114-Y1118 PolarHBondContact O-N 3.44Å; V1115-Y1118 PolarHBondContact O-N 3.16Å; V1116-Y1118 VanDerWaalsContact C-N 3.32Å; V1116-Y1118 PolarHBondContact O-N 3.23Å; Y1118-L1120 PolarHBondContact O-N 3.02Å; Y1118-E1121 PolarHBondContact O-N 3.15Å; Y1118-V1122 HydrophobicContact CD1-CG2 4.08Å; Y1118-V1122 HydrophobicContact CE1-CG2 3.78Å; Y1118-V1122 WeakPolarHBondContact O-CG2 3.27Å; Y1118-V1122 PolarHBondContact O-N 3.37Å |
| 1119 | A | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.1 | -35.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1058 V1115 V1116 D1117 V1122 E1123 L1135 V1143 | F1058-A1119 HydrophobicContact CD1-CB 3.88Å; F1058-A1119 HydrophobicContact CE1-CB 3.7Å; F1058-A1119 HydrophobicContact CG-CB 4.39Å; F1058-A1119 HydrophobicContact CZ-CB 4.08Å; V1115-A1119 WeakPolarHBondContact O-CB 3.48Å; V1115-A1119 PolarHBondContact O-N 3.11Å; V1116-A1119 WeakPolarHBondContact O-CB 3.46Å; V1116-A1119 PolarHBondContact O-N 3.05Å; V1116-A1119 VanDerWaalsContact O-N 3.12Å; D1117-A1119 VanDerWaalsContact C-N 3.34Å; D1117-A1119 PolarHBondContact O-N 3.18Å; A1119-V1122 WeakPolarHBondContact O-CB 3.24Å; A1119-V1122 PolarHBondContact O-N 3.4Å; A1119-E1123 PolarHBondContact O-N 2.64Å; A1119-L1135 HydrophobicContact CB-CD1 4.27Å; A1119-L1135 HydrophobicContact CB-CD2 4.23Å; A1119-V1143 HydrophobicContact CB-CB 4.41Å; A1119-V1143 HydrophobicContact CB-CG1 4.03Å; A1119-V1143 HydrophobicContact CB-CG2 4.03Å |
| 1120 | L | 96.3 | Very high | 95.6 | Very high | 37 Ų | 37 | 50.4 Ų | 50.4 | 19% | 0.194 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.6 | -34.7 | 173.5 | -69.2 | 177.1 | 0 | 0 | 0 | 112.3 | V1116 D1117 Y1118 E1123 K1124 L1135 | V1116-L1120 HydrophobicContact CG1-CD1 4.35Å; V1116-L1120 WeakPolarHBondContact O-CG 3.39Å; V1116-L1120 PolarHBondContact O-N 2.96Å; D1117-L1120 PolarHBondContact O-N 3.16Å; Y1118-L1120 PolarHBondContact O-N 3.02Å; L1120-E1123 WeakPolarHBondContact O-CB 3.34Å; L1120-E1123 PolarHBondContact O-N 2.96Å; L1120-K1124 WeakPolarHBondContact O-CG 3.5Å; L1120-K1124 PolarHBondContact O-N 2.91Å; L1120-L1135 HydrophobicContact CD2-CD2 4.28Å |
| 1121 | E | 96.6 | Very high | 95.4 | Very high | 86 Ų | 86 | 53.1 Ų | 53.1 | 40% | 0.402 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.8 | -38.9 | 170.9 | -71.2 | -56.6 | 138.1 | 0 | 0 | 112.2 | P1068 D1117 Y1118 E1123 K1124 I1125 | P1068-E1121 HydrophobicContact CB-CB 4.13Å; P1068-E1121 HydrophobicContact CG-CB 3.74Å; D1117-E1121 PolarHBondContact O-N 3.01Å; Y1118-E1121 PolarHBondContact O-N 3.15Å; E1121-E1123 VanDerWaalsContact C-N 3.31Å; E1121-E1123 PolarHBondContact O-N 3.33Å; E1121-K1124 PolarHBondContact O-N 2.9Å; E1121-K1124 IonicContact OE1-NZ 2.84Å; E1121-K1124 PolarHBondContact OE1-NZ 3.29Å; E1121-K1124 IonicContact OE2-NZ 2.69Å; E1121-I1125 WeakPolarHBondContact O-CG1 3.16Å; E1121-I1125 PolarHBondContact O-N 3.04Å |
| 1122 | V | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 171.2 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | F1058 P1068 F1071 V1072 I1082 I1085 Y1118 A1119 K1124 I1125 T1126 | F1058-V1122 HydrophobicContact CE1-CB 3.92Å; F1058-V1122 HydrophobicContact CE1-CG1 3.92Å; F1058-V1122 HydrophobicContact CE1-CG2 4.01Å; F1058-V1122 HydrophobicContact CZ-CG1 4.26Å; P1068-V1122 HydrophobicContact CB-CG2 3.73Å; P1068-V1122 HydrophobicContact CG-CG2 4.48Å; F1071-V1122 HydrophobicContact CD1-CG1 4.32Å; F1071-V1122 HydrophobicContact CD1-CG2 3.8Å; F1071-V1122 HydrophobicContact CE1-CG1 4.32Å; F1071-V1122 HydrophobicContact CE1-CG2 4.33Å; V1072-V1122 HydrophobicContact CG2-CG1 3.79Å; I1082-V1122 HydrophobicContact CD1-CG1 4Å; I1085-V1122 HydrophobicContact CD1-CG1 4.45Å; Y1118-V1122 HydrophobicContact CD1-CG2 4.08Å; Y1118-V1122 HydrophobicContact CE1-CG2 3.78Å; Y1118-V1122 WeakPolarHBondContact O-CG2 3.27Å; Y1118-V1122 PolarHBondContact O-N 3.37Å; A1119-V1122 WeakPolarHBondContact O-CB 3.24Å; A1119-V1122 PolarHBondContact O-N 3.4Å; V1122-K1124 PolarHBondContact O-N 3.49Å; V1122-I1125 WeakPolarHBondContact O-CB 3.31Å; V1122-I1125 PolarHBondContact O-N 3.37Å; V1122-I1125 VanDerWaalsContact O-N 3.13Å; V1122-T1126 HydrophobicContact CG1-CG2 4.28Å; V1122-T1126 WeakPolarHBondContact O-CG2 3.37Å; V1122-T1126 PolarHBondContact O-N 3.2Å; V1122-T1126 PolarHBondContact O-OG1 3.45Å |
| 1123 | E | 96.6 | Very high | 95.6 | Very high | 40 Ų | 40 | 50.8 Ų | 50.8 | 19% | 0.187 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.7 | -44.5 | 175 | 175.8 | -178.8 | -132.4 | 0 | 0 | 112.1 | I1085 A1119 L1120 E1121 I1125 T1126 T1127 I1134 L1135 | I1085-E1123 HydrophobicContact CD1-CB 4.47Å; A1119-E1123 PolarHBondContact O-N 2.64Å; L1120-E1123 WeakPolarHBondContact O-CB 3.34Å; L1120-E1123 PolarHBondContact O-N 2.96Å; E1121-E1123 VanDerWaalsContact C-N 3.31Å; E1121-E1123 PolarHBondContact O-N 3.33Å; E1123-I1125 PolarHBondContact O-N 2.91Å; E1123-T1126 WeakPolarHBondContact CA-OG1 3.34Å; E1123-T1126 PolarHBondContact O-N 3.49Å; E1123-T1126 PolarHBondContact O-OG1 3.34Å; E1123-T1126 VanDerWaalsContact O-OG1 3.09Å; E1123-T1127 HydrophobicContact CG-CG2 3.79Å; E1123-T1127 WeakPolarHBondContact O-CB 3.1Å; E1123-T1127 VanDerWaalsContact O-CG2 3.31Å; E1123-T1127 WeakPolarHBondContact O-CG2 3.49Å; E1123-T1127 PolarHBondContact O-N 2.96Å; E1123-T1127 PolarHBondContact O-OG1 2.81Å; E1123-I1134 WeakPolarHBondContact OE1-CA 3.39Å; E1123-I1134 WeakPolarHBondContact OE1-CB 3.22Å; E1123-L1135 HydrophobicContact CB-CB 4.46Å; E1123-L1135 PolarHBondContact OE1-N 3.24Å |
| 1124 | K | 95.3 | Very high | 95.6 | Very high | 110 Ų | 110 | 50.2 Ų | 50.2 | 48% | 0.478 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.5 | -39.3 | 176.7 | -70.9 | 171.4 | -172.4 | 172.1 | 0 | 111.3 | L1120 E1121 V1122 T1127 N1128 | L1120-K1124 WeakPolarHBondContact O-CG 3.5Å; L1120-K1124 PolarHBondContact O-N 2.91Å; E1121-K1124 PolarHBondContact O-N 2.9Å; E1121-K1124 IonicContact OE1-NZ 2.84Å; E1121-K1124 PolarHBondContact OE1-NZ 3.29Å; E1121-K1124 IonicContact OE2-NZ 2.69Å; V1122-K1124 PolarHBondContact O-N 3.49Å; K1124-T1127 PolarHBondContact O-OG1 3.47Å; K1124-N1128 PolarHBondContact O-N 3.29Å; K1124-N1128 PolarHBondContact O-ND2 3.3Å |
| 1125 | I | 95.4 | Very high | 95.6 | Very high | 38 Ų | 38 | 48.5 Ų | 48.5 | 20% | 0.195 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.4 | -41 | 178.3 | -61.5 | 167.3 | 0 | 0 | 0 | 111.3 | P1068 I1069 V1072 E1121 V1122 E1123 | P1068-I1125 HydrophobicContact CB-CD1 3.57Å; I1069-I1125 HydrophobicContact CB-CD1 3.87Å; V1072-I1125 HydrophobicContact CB-CG2 4.31Å; V1072-I1125 HydrophobicContact CG1-CG2 4.09Å; V1072-I1125 HydrophobicContact CG2-CB 4.42Å; V1072-I1125 HydrophobicContact CG2-CG2 4.12Å; E1121-I1125 WeakPolarHBondContact O-CG1 3.16Å; E1121-I1125 PolarHBondContact O-N 3.04Å; V1122-I1125 WeakPolarHBondContact O-CB 3.31Å; V1122-I1125 PolarHBondContact O-N 3.37Å; V1122-I1125 VanDerWaalsContact O-N 3.13Å; E1123-I1125 PolarHBondContact O-N 2.91Å |
| 1126 | T | 95.1 | Very high | 95.6 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -75.5 | -37.7 | -177.5 | 55 | 0 | 0 | 0 | 0 | 112.3 | V1072 I1082 I1085 V1122 E1123 N1128 K1129 R1130 L1133 | V1072-T1126 HydrophobicContact CG2-CG2 4.13Å; I1082-T1126 HydrophobicContact CD1-CG2 4.15Å; I1085-T1126 HydrophobicContact CG2-CG2 4.13Å; V1122-T1126 HydrophobicContact CG1-CG2 4.28Å; V1122-T1126 WeakPolarHBondContact O-CG2 3.37Å; V1122-T1126 PolarHBondContact O-N 3.2Å; V1122-T1126 PolarHBondContact O-OG1 3.45Å; E1123-T1126 WeakPolarHBondContact CA-OG1 3.34Å; E1123-T1126 PolarHBondContact O-N 3.49Å; E1123-T1126 PolarHBondContact O-OG1 3.34Å; E1123-T1126 VanDerWaalsContact O-OG1 3.09Å; T1126-N1128 VanDerWaalsContact C-N 3.29Å; T1126-N1128 PolarHBondContact O-N 3.09Å; T1126-K1129 WeakPolarHBondContact O-CB 3.19Å; T1126-K1129 PolarHBondContact O-N 3.19Å; T1126-R1130 PolarHBondContact O-N 3.23Å; T1126-L1133 PolarHBondContact OG1-O 3.39Å |
| 1127 | T | 94.4 | Very high | 95.5 | Very high | 13 Ų | 13 | 50 Ų | 50 | 8% | 0.08 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -29.9 | 176.8 | 51.7 | 0 | 0 | 0 | 0 | 112.9 | I1092 E1123 K1124 K1129 R1130 L1133 I1134 | I1092-T1127 HydrophobicContact CB-CG2 4.47Å; I1092-T1127 HydrophobicContact CD1-CG2 4.45Å; E1123-T1127 HydrophobicContact CG-CG2 3.79Å; E1123-T1127 WeakPolarHBondContact O-CB 3.1Å; E1123-T1127 VanDerWaalsContact O-CG2 3.31Å; E1123-T1127 WeakPolarHBondContact O-CG2 3.49Å; E1123-T1127 PolarHBondContact O-N 2.96Å; E1123-T1127 PolarHBondContact O-OG1 2.81Å; K1124-T1127 PolarHBondContact O-OG1 3.47Å; T1127-K1129 PolarHBondContact O-N 3.28Å; T1127-R1130 WeakPolarHBondContact CA-O 3.49Å; T1127-R1130 CarbonylContact O-C 3.55Å; T1127-R1130 PolarHBondContact O-N 2.71Å; T1127-L1133 WeakPolarHBondContact CG2-O 3.31Å; T1127-I1134 HydrophobicContact CG2-CG2 3.73Å |
| 1128 | N | 93 | Very high | 95.4 | Very high | 144 Ų | 144 | 48.5 Ų | 48.5 | 77% | 0.77 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -24.5 | 169.3 | -77.1 | -26.6 | 0 | 0 | 0 | 113.2 | K1124 T1126 | K1124-N1128 PolarHBondContact O-N 3.29Å; K1124-N1128 PolarHBondContact O-ND2 3.3Å; T1126-N1128 VanDerWaalsContact C-N 3.29Å; T1126-N1128 PolarHBondContact O-N 3.09Å |
| 1129 | K | 91.9 | Very high | 95.3 | Very high | 100 Ų | 100 | 47.5 Ų | 47.5 | 44% | 0.435 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -46.2 | 174.1 | -63.8 | 178 | 179.4 | 171 | 0 | 111.7 | T1126 T1127 L1133 | T1126-K1129 WeakPolarHBondContact O-CB 3.19Å; T1126-K1129 PolarHBondContact O-N 3.19Å; T1127-K1129 PolarHBondContact O-N 3.28Å; K1129-L1133 HydrophobicContact CB-CD1 4.41Å |
| 1130 | R | 93.5 | Very high | 95.3 | Very high | 168 Ų | 168 | 47.5 Ų | 47.5 | 63% | 0.634 | 23% | 0.232 | S | C | * | . | trans | -149.5 | 134.9 | 172.9 | -65.9 | -175.1 | 179.2 | -178.9 | -0.7 | 109.6 | T1126 T1127 N1132 L1133 | T1126-R1130 PolarHBondContact O-N 3.23Å; T1127-R1130 WeakPolarHBondContact CA-O 3.49Å; T1127-R1130 CarbonylContact O-C 3.55Å; T1127-R1130 PolarHBondContact O-N 2.71Å; R1130-N1132 WeakPolarHBondContact CB-OD1 3.31Å; R1130-N1132 PolarHBondContact O-N 2.78Å; R1130-L1133 HydrophobicContact CB-CD1 3.92Å; R1130-L1133 HydrophobicContact CB-CG 3.96Å; R1130-L1133 HydrophobicContact CG-CD1 4.37Å; R1130-L1133 WeakPolarHBondContact O-CB 3.4Å; R1130-L1133 PolarHBondContact O-N 2.82Å | ||
| 1131 | P | 93.9 | Very high | 95.3 | Very high | 76 Ų | 76 | 45.8 Ų | 45.8 | 49% | 0.494 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -15.3 | -172.1 | 26.4 | -35.9 | 0 | 0 | 0 | 114.3 | S1091 I1092 | S1091-P1131 CarbonylContact C-O 3.51Å; S1091-P1131 WeakPolarHBondContact CA-O 3.42Å; S1091-P1131 VanDerWaalsContact CB-O 3.27Å; S1091-P1131 WeakPolarHBondContact CB-O 3.41Å; I1092-P1131 HydrophobicContact CG2-CB 4.12Å; I1092-P1131 PolarHBondContact N-O 3.39Å |
| 1132 | N | 94.9 | Very high | 95.3 | Very high | 52 Ų | 52 | 41.7 Ų | 41.7 | 28% | 0.278 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -1 | 177.9 | 75.1 | -49.7 | 0 | 0 | 0 | 114 | H1087 R1130 I1134 | H1087-N1132 PolarHBondContact N-O 3.29Å; H1087-N1132 PolarHBondContact O-ND2 3.05Å; R1130-N1132 WeakPolarHBondContact CB-OD1 3.31Å; R1130-N1132 PolarHBondContact O-N 2.78Å; N1132-I1134 PolarHBondContact O-N 2.82Å |
| 1133 | L | 96 | Very high | 95.3 | Very high | 50 Ų | 50 | 41.7 Ų | 41.7 | 26% | 0.262 | 20% | 0.203 | S | C | . | . | trans | -84 | 54 | 173.5 | -62.3 | 176.3 | 0 | 0 | 0 | 111 | I1085 T1126 T1127 K1129 R1130 | I1085-L1133 HydrophobicContact CG2-CB 4.03Å; T1126-L1133 PolarHBondContact OG1-O 3.39Å; T1127-L1133 WeakPolarHBondContact CG2-O 3.31Å; K1129-L1133 HydrophobicContact CB-CD1 4.41Å; R1130-L1133 HydrophobicContact CB-CD1 3.92Å; R1130-L1133 HydrophobicContact CB-CG 3.96Å; R1130-L1133 HydrophobicContact CG-CD1 4.37Å; R1130-L1133 WeakPolarHBondContact O-CB 3.4Å; R1130-L1133 PolarHBondContact O-N 2.82Å | ||
| 1134 | I | 96.5 | Very high | 95.3 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -84.2 | 160.5 | 176.6 | 59.2 | 168.5 | 0 | 0 | 0 | 111.5 | I1085 G1086 H1087 K1090 I1092 E1123 T1127 N1132 N1136 | I1085-I1134 WeakPolarHBondContact CA-O 3.47Å; G1086-I1134 PolarHBondContact N-O 3.33Å; H1087-I1134 HydrophobicContact CB-CD1 4.07Å; H1087-I1134 HydrophobicContact CB-CG1 3.97Å; K1090-I1134 HydrophobicContact CB-CD1 3.67Å; I1092-I1134 HydrophobicContact CB-CG2 4.47Å; E1123-I1134 WeakPolarHBondContact OE1-CA 3.39Å; E1123-I1134 WeakPolarHBondContact OE1-CB 3.22Å; T1127-I1134 HydrophobicContact CG2-CG2 3.73Å; N1132-I1134 PolarHBondContact O-N 2.82Å; I1134-N1136 PolarHBondContact O-N 2.92Å |
| 1135 | L | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -65.1 | 120.4 | 167.3 | -171.9 | 68.4 | 0 | 0 | 0 | 108.7 | F1058 I1085 A1119 L1120 E1123 M1140 | F1058-L1135 HydrophobicContact CE2-CD1 4.29Å; F1058-L1135 HydrophobicContact CZ-CD1 4.3Å; I1085-L1135 HydrophobicContact CD1-CB 4.3Å; I1085-L1135 HydrophobicContact CD1-CD1 3.99Å; A1119-L1135 HydrophobicContact CB-CD1 4.27Å; A1119-L1135 HydrophobicContact CB-CD2 4.23Å; L1120-L1135 HydrophobicContact CD2-CD2 4.28Å; E1123-L1135 HydrophobicContact CB-CB 4.46Å; E1123-L1135 PolarHBondContact OE1-N 3.24Å; L1135-M1140 HydrophobicContact CD2-CB 4.11Å; L1135-M1140 HydrophobicContact CD2-SD 3.86Å; L1135-M1140 HydrophobicContact CG-CB 4.39Å |
| 1136 | N | 95.7 | Very high | 95.3 | Very high | 22 Ų | 22 | 32.9 Ų | 32.9 | 12% | 0.118 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -86.9 | 173.4 | 178.6 | 73 | 27.9 | 0 | 0 | 0 | 111 | G1084 G1086 V1099 I1134 D1138 G1139 M1140 | G1084-N1136 WeakPolarHBondContact CA-OD1 3.35Å; G1084-N1136 PolarHBondContact O-N 3.36Å; G1084-N1136 PolarHBondContact O-OD1 3.48Å; G1086-N1136 PolarHBondContact O-ND2 3.48Å; V1099-N1136 VanDerWaalsContact CG2-C 3.46Å; I1134-N1136 PolarHBondContact O-N 2.92Å; N1136-D1138 VanDerWaalsContact C-N 3.3Å; N1136-D1138 PolarHBondContact O-N 2.89Å; N1136-D1138 WeakPolarHBondContact OD1-CB 3.45Å; N1136-D1138 PolarHBondContact OD1-N 2.76Å; N1136-D1138 VanDerWaalsContact OD1-N 3.12Å; N1136-G1139 PolarHBondContact O-N 3.35Å; N1136-G1139 PolarHBondContact OD1-N 3.3Å; N1136-M1140 PolarHBondContact O-N 3.28Å |
| 1137 | V | 95.5 | Very high | 95.4 | Very high | 10 Ų | 10 | 32.6 Ų | 32.6 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.4 | -35.4 | -175.7 | 72.8 | 0 | 0 | 0 | 0 | 112.8 | I1008 R1098 V1099 M1140 I1141 | I1008-V1137 HydrophobicContact CG2-CG2 3.37Å; R1098-V1137 HydrophobicContact CB-CB 4.41Å; R1098-V1137 HydrophobicContact CB-CG2 3.78Å; V1099-V1137 HydrophobicContact CG2-CB 4.01Å; V1099-V1137 VanDerWaalsContact CG2-N 3.34Å; V1137-M1140 PolarHBondContact O-N 3.13Å; V1137-I1141 HydrophobicContact CG2-CD1 4.1Å; V1137-I1141 VanDerWaalsContact O-CG1 3.3Å; V1137-I1141 WeakPolarHBondContact O-CG1 3.37Å; V1137-I1141 PolarHBondContact O-N 3.48Å |
| 1138 | D | 94.9 | Very high | 95.4 | Very high | 39 Ų | 39 | 32 Ų | 32 | 21% | 0.209 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.5 | -44 | 176.9 | -50.5 | -85.6 | 0 | 0 | 0 | 110.6 | A1050 L1051 N1136 G1142 | A1050-D1138 HydrophobicContact CB-CB 3.79Å; L1051-D1138 HydrophobicContact CD1-CB 3.79Å; L1051-D1138 WeakPolarHBondContact CD1-OD1 3.49Å; L1051-D1138 HydrophobicContact CG-CB 4.24Å; N1136-D1138 VanDerWaalsContact C-N 3.3Å; N1136-D1138 PolarHBondContact O-N 2.89Å; N1136-D1138 WeakPolarHBondContact OD1-CB 3.45Å; N1136-D1138 PolarHBondContact OD1-N 2.76Å; N1136-D1138 VanDerWaalsContact OD1-N 3.12Å; D1138-G1142 PolarHBondContact O-N 3.05Å |
| 1139 | G | 95.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.7 | -50.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1136 I1141 G1142 V1143 | N1136-G1139 PolarHBondContact O-N 3.35Å; N1136-G1139 PolarHBondContact OD1-N 3.3Å; G1139-I1141 PolarHBondContact O-N 3.44Å; G1139-G1142 PolarHBondContact O-N 2.63Å; G1139-V1143 WeakPolarHBondContact O-CG2 3.49Å; G1139-V1143 PolarHBondContact O-N 3.23Å |
| 1140 | M | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60 | -45.3 | 179.4 | -175.1 | 69.9 | -134.1 | 0 | 0 | 112.4 | V1099 L1102 V1106 V1116 L1135 N1136 V1137 A1144 | V1099-M1140 HydrophobicContact CG1-CB 4.15Å; V1099-M1140 HydrophobicContact CG1-CG 4.19Å; V1099-M1140 HydrophobicContact CG1-SD 4.45Å; V1099-M1140 HydrophobicContact CG2-CB 4.49Å; L1102-M1140 HydrophobicContact CB-CG 4.36Å; L1102-M1140 HydrophobicContact CD2-CG 3.97Å; L1102-M1140 HydrophobicContact CG-CG 4.33Å; V1106-M1140 HydrophobicContact CB-CE 4.24Å; V1106-M1140 HydrophobicContact CG1-CE 4.32Å; V1106-M1140 HydrophobicContact CG2-CE 4.22Å; V1116-M1140 HydrophobicContact CB-CE 4.48Å; V1116-M1140 HydrophobicContact CG1-CE 3.68Å; V1116-M1140 HydrophobicContact CG1-SD 4.47Å; V1116-M1140 HydrophobicContact CG2-CE 3.92Å; L1135-M1140 HydrophobicContact CD2-CB 4.11Å; L1135-M1140 HydrophobicContact CD2-SD 3.86Å; L1135-M1140 HydrophobicContact CG-CB 4.39Å; N1136-M1140 PolarHBondContact O-N 3.28Å; V1137-M1140 PolarHBondContact O-N 3.13Å; M1140-A1144 HydrophobicContact CE-CB 4.05Å; M1140-A1144 WeakPolarHBondContact O-CB 3.49Å; M1140-A1144 PolarHBondContact O-N 3.29Å |
| 1141 | I | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 175.5 | -66.9 | 168.2 | 0 | 0 | 0 | 110.2 | C1005 I1008 T1009 L1051 L1102 V1137 G1139 M1145 L1169 L1172 | C1005-I1141 HydrophobicContact CB-CG2 4.47Å; I1008-I1141 HydrophobicContact CG2-CD1 4.23Å; T1009-I1141 HydrophobicContact CG2-CD1 3.78Å; L1051-I1141 HydrophobicContact CD2-CB 4.1Å; L1051-I1141 HydrophobicContact CD2-CD1 4.33Å; L1051-I1141 HydrophobicContact CD2-CG2 3.6Å; L1051-I1141 HydrophobicContact CG-CB 4.43Å; L1051-I1141 HydrophobicContact CG-CG2 4.37Å; L1102-I1141 HydrophobicContact CD2-CB 4.38Å; L1102-I1141 HydrophobicContact CD2-CD1 4.47Å; L1102-I1141 HydrophobicContact CD2-CG1 3.4Å; V1137-I1141 HydrophobicContact CG2-CD1 4.1Å; V1137-I1141 VanDerWaalsContact O-CG1 3.3Å; V1137-I1141 WeakPolarHBondContact O-CG1 3.37Å; V1137-I1141 PolarHBondContact O-N 3.48Å; G1139-I1141 PolarHBondContact O-N 3.44Å; I1141-M1145 VanDerWaalsContact O-CB 3.31Å; I1141-M1145 WeakPolarHBondContact O-CB 3.43Å; I1141-M1145 PolarHBondContact O-N 3.08Å; I1141-L1169 HydrophobicContact CG2-CD2 4.16Å; I1141-L1172 HydrophobicContact CG2-CD2 4.32Å |
| 1142 | G | 95.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -57.8 | -54.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1138 G1139 M1145 V1146 | D1138-G1142 PolarHBondContact O-N 3.05Å; G1139-G1142 PolarHBondContact O-N 2.63Å; G1142-M1145 PolarHBondContact O-N 3.23Å; G1142-V1146 WeakPolarHBondContact O-CG2 3.42Å; G1142-V1146 PolarHBondContact O-N 2.87Å; G1142-V1146 VanDerWaalsContact O-N 3.17Å |
| 1143 | V | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -70.5 | -35.4 | -179 | -59.4 | 0 | 0 | 0 | 0 | 112.8 | F1058 V1115 V1116 A1119 G1139 M1145 V1146 D1147 | F1058-V1143 HydrophobicContact CB-CG1 3.56Å; F1058-V1143 HydrophobicContact CD1-CG1 4.48Å; F1058-V1143 HydrophobicContact CD2-CG1 3.63Å; F1058-V1143 HydrophobicContact CE2-CG1 4.44Å; F1058-V1143 HydrophobicContact CG-CG1 3.66Å; V1115-V1143 HydrophobicContact CG1-CB 3.96Å; V1115-V1143 HydrophobicContact CG1-CG1 4.01Å; V1116-V1143 HydrophobicContact CB-CG2 4.35Å; V1116-V1143 HydrophobicContact CG2-CB 4.34Å; V1116-V1143 HydrophobicContact CG2-CG2 3.79Å; A1119-V1143 HydrophobicContact CB-CB 4.41Å; A1119-V1143 HydrophobicContact CB-CG1 4.03Å; A1119-V1143 HydrophobicContact CB-CG2 4.03Å; G1139-V1143 WeakPolarHBondContact O-CG2 3.49Å; G1139-V1143 PolarHBondContact O-N 3.23Å; V1143-M1145 VanDerWaalsContact C-N 3.34Å; V1143-M1145 PolarHBondContact O-N 2.88Å; V1143-V1146 WeakPolarHBondContact O-CB 3.14Å; V1143-V1146 PolarHBondContact O-N 2.95Å; V1143-D1147 PolarHBondContact O-N 3.35Å |
| 1144 | A | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.6 | -37.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1001 V1106 F1110 V1116 M1140 V1146 D1147 L1148 | F1001-A1144 HydrophobicContact CE2-CB 3.61Å; F1001-A1144 HydrophobicContact CZ-CB 3.57Å; V1106-A1144 HydrophobicContact CG1-CB 4.4Å; V1106-A1144 HydrophobicContact CG2-CB 3.8Å; F1110-A1144 WeakPolarHBondContact CE2-O 3.4Å; V1116-A1144 HydrophobicContact CG2-CB 4.08Å; M1140-A1144 HydrophobicContact CE-CB 4.05Å; M1140-A1144 WeakPolarHBondContact O-CB 3.49Å; M1140-A1144 PolarHBondContact O-N 3.29Å; A1144-V1146 VanDerWaalsContact C-N 3.32Å; A1144-V1146 PolarHBondContact O-N 2.84Å; A1144-D1147 PolarHBondContact O-N 3.17Å; A1144-L1148 WeakPolarHBondContact O-CB 3.26Å; A1144-L1148 PolarHBondContact O-N 2.89Å |
| 1145 | M | 95.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.015 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.6 | -38 | 175.4 | -169.1 | 67 | -169.1 | 0 | 0 | 111.5 | F990 F1001 L1002 I1141 G1142 V1143 L1148 L1149 I1164 T1168 L1169 | F990-M1145 HydrophobicContact CE1-CE 3.98Å; F990-M1145 HydrophobicContact CE2-CE 4.29Å; F990-M1145 HydrophobicContact CZ-CE 3.42Å; F990-M1145 VanDerWaalsContact CZ-CE 3.42Å; F1001-M1145 HydrophobicContact CE1-SD 3.98Å; L1002-M1145 HydrophobicContact CD2-CE 4.2Å; L1002-M1145 HydrophobicContact CD2-SD 4.04Å; I1141-M1145 VanDerWaalsContact O-CB 3.31Å; I1141-M1145 WeakPolarHBondContact O-CB 3.43Å; I1141-M1145 PolarHBondContact O-N 3.08Å; G1142-M1145 PolarHBondContact O-N 3.23Å; V1143-M1145 VanDerWaalsContact C-N 3.34Å; V1143-M1145 PolarHBondContact O-N 2.88Å; M1145-L1148 HydrophobicContact CE-CD2 4.45Å; M1145-L1148 PolarHBondContact O-N 2.9Å; M1145-L1148 HydrophobicContact SD-CD2 4.02Å; M1145-L1149 HydrophobicContact CE-CD1 4.06Å; M1145-L1149 HydrophobicContact CE-CD2 3.93Å; M1145-L1149 HydrophobicContact CE-CG 3.95Å; M1145-L1149 HydrophobicContact CG-CD1 4.27Å; M1145-L1149 VanDerWaalsContact O-CG 3.3Å; M1145-L1149 WeakPolarHBondContact O-CG 3.38Å; M1145-L1149 PolarHBondContact O-N 2.99Å; M1145-I1164 HydrophobicContact CG-CD1 4.47Å; M1145-T1168 HydrophobicContact CE-CG2 4.4Å; M1145-L1169 HydrophobicContact CB-CD1 4.46Å; M1145-L1169 HydrophobicContact CB-CD2 3.65Å; M1145-L1169 HydrophobicContact CB-CG 4.32Å; M1145-L1169 HydrophobicContact CG-CD2 3.76Å; M1145-L1169 HydrophobicContact CG-CG 4.16Å |
| 1146 | V | 95.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.2 | -48.8 | 173.5 | 174.2 | 0 | 0 | 0 | 0 | 110.4 | A1055 V1115 G1142 V1143 A1144 L1148 L1149 R1150 I1164 | A1055-V1146 HydrophobicContact CB-CG2 3.81Å; V1115-V1146 HydrophobicContact CB-CG1 4.35Å; V1115-V1146 HydrophobicContact CG1-CG1 4.4Å; V1115-V1146 HydrophobicContact CG2-CG1 3.86Å; G1142-V1146 WeakPolarHBondContact O-CG2 3.42Å; G1142-V1146 PolarHBondContact O-N 2.87Å; G1142-V1146 VanDerWaalsContact O-N 3.17Å; V1143-V1146 WeakPolarHBondContact O-CB 3.14Å; V1143-V1146 PolarHBondContact O-N 2.95Å; A1144-V1146 VanDerWaalsContact C-N 3.32Å; A1144-V1146 PolarHBondContact O-N 2.84Å; V1146-L1148 VanDerWaalsContact C-N 3.34Å; V1146-L1148 PolarHBondContact O-N 3.4Å; V1146-L1149 PolarHBondContact O-N 2.96Å; V1146-R1150 HydrophobicContact CG1-CG 4.34Å; V1146-R1150 WeakPolarHBondContact O-CB 3.25Å; V1146-R1150 WeakPolarHBondContact O-CG 3.42Å; V1146-R1150 PolarHBondContact O-N 3.26Å; V1146-I1164 HydrophobicContact CG2-CD1 3.89Å; V1146-I1164 HydrophobicContact CG2-CG1 4.2Å |
| 1147 | D | 96.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.7 | -35.7 | 177.4 | -77.5 | -26.6 | 0 | 0 | 0 | 112.6 | F1110 T1113 P1114 V1115 V1116 V1143 A1144 S1151 | F1110-D1147 HydrophobicContact CD2-CB 4.38Å; T1113-D1147 WeakPolarHBondContact CA-OD2 3.3Å; P1114-D1147 WeakPolarHBondContact CD-OD1 3.38Å; P1114-D1147 WeakPolarHBondContact CG-OD1 3.29Å; V1115-D1147 WeakPolarHBondContact CB-OD1 3.29Å; V1115-D1147 WeakPolarHBondContact CG2-OD1 3.31Å; V1115-D1147 PolarHBondContact N-OD1 3.33Å; V1115-D1147 PolarHBondContact N-OD2 3.04Å; V1115-D1147 VanDerWaalsContact N-OD2 3.16Å; V1116-D1147 WeakPolarHBondContact CB-OD2 3.48Å; V1116-D1147 HydrophobicContact CG2-CB 4.46Å; V1116-D1147 WeakPolarHBondContact CG2-OD2 3.45Å; V1116-D1147 PolarHBondContact N-OD2 2.9Å; V1143-D1147 PolarHBondContact O-N 3.35Å; A1144-D1147 PolarHBondContact O-N 3.17Å; D1147-S1151 WeakPolarHBondContact O-CA 3.42Å; D1147-S1151 WeakPolarHBondContact O-CB 3.2Å; D1147-S1151 PolarHBondContact O-N 3.02Å; D1147-S1151 PolarHBondContact O-OG 3.5Å |
| 1148 | L | 95.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.7 | -49.7 | 174.8 | 179.2 | 66 | 0 | 0 | 0 | 110.5 | Y997 A998 F1001 F1110 A1144 M1145 V1146 S1152 | Y997-L1148 HydrophobicContact CE2-CD1 3.78Å; A998-L1148 HydrophobicContact CB-CD1 3.51Å; A998-L1148 HydrophobicContact CB-CD2 4.26Å; A998-L1148 HydrophobicContact CB-CG 4.45Å; F1001-L1148 HydrophobicContact CD1-CD2 3.7Å; F1001-L1148 HydrophobicContact CE1-CD2 4.05Å; F1110-L1148 HydrophobicContact CE1-CD1 4.2Å; F1110-L1148 HydrophobicContact CE2-CB 3.62Å; F1110-L1148 HydrophobicContact CE2-CD1 4.16Å; F1110-L1148 HydrophobicContact CE2-CG 4.47Å; F1110-L1148 HydrophobicContact CZ-CB 3.85Å; F1110-L1148 HydrophobicContact CZ-CD1 3.81Å; F1110-L1148 HydrophobicContact CZ-CG 4.3Å; A1144-L1148 WeakPolarHBondContact O-CB 3.26Å; A1144-L1148 PolarHBondContact O-N 2.89Å; M1145-L1148 HydrophobicContact CE-CD2 4.45Å; M1145-L1148 PolarHBondContact O-N 2.9Å; M1145-L1148 HydrophobicContact SD-CD2 4.02Å; V1146-L1148 VanDerWaalsContact C-N 3.34Å; V1146-L1148 PolarHBondContact O-N 3.4Å; L1148-S1152 WeakPolarHBondContact O-CB 3.46Å; L1148-S1152 PolarHBondContact O-N 3.14Å; L1148-S1152 PolarHBondContact O-OG 3.46Å |
| 1149 | L | 94.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.8 | -46.4 | -178.9 | -67.5 | 172.6 | 0 | 0 | 0 | 110.7 | F990 M1145 V1146 F1155 A1160 Y1163 I1164 | F990-L1149 HydrophobicContact CD1-CD2 4.38Å; F990-L1149 HydrophobicContact CE1-CD2 4.05Å; M1145-L1149 HydrophobicContact CE-CD1 4.06Å; M1145-L1149 HydrophobicContact CE-CD2 3.93Å; M1145-L1149 HydrophobicContact CE-CG 3.95Å; M1145-L1149 HydrophobicContact CG-CD1 4.27Å; M1145-L1149 VanDerWaalsContact O-CG 3.3Å; M1145-L1149 WeakPolarHBondContact O-CG 3.38Å; M1145-L1149 PolarHBondContact O-N 2.99Å; V1146-L1149 PolarHBondContact O-N 2.96Å; L1149-F1155 HydrophobicContact CD2-CD1 4.2Å; L1149-F1155 HydrophobicContact CD2-CD2 3.86Å; L1149-F1155 HydrophobicContact CD2-CE1 3.96Å; L1149-F1155 HydrophobicContact CD2-CE2 3.62Å; L1149-F1155 HydrophobicContact CD2-CG 4.14Å; L1149-F1155 HydrophobicContact CD2-CZ 3.65Å; L1149-F1155 WeakPolarHBondContact O-CB 3.25Å; L1149-F1155 WeakPolarHBondContact O-CD2 3.44Å; L1149-A1160 HydrophobicContact CB-CB 3.65Å; L1149-Y1163 HydrophobicContact CD2-CD2 4.45Å; L1149-I1164 HydrophobicContact CD1-CD1 3.75Å; L1149-I1164 HydrophobicContact CD1-CG1 3.96Å |
| 1150 | R | 93.9 | Very high | 94.4 | Very high | 53 Ų | 53 | 30.1 Ų | 30.1 | 20% | 0.2 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -76.4 | -35.9 | -175.3 | -67.3 | -179.2 | 177.6 | -170.7 | -5.4 | 114.2 | D1063 V1146 A1160 E1161 | D1063-R1150 VanDerWaalsContact CG-NH1 3.29Å; D1063-R1150 IonicContact OD1-CZ 2.88Å; D1063-R1150 IonicContact OD1-NH1 3.6Å; D1063-R1150 PolarHBondContact OD1-NH1 3.27Å; D1063-R1150 IonicContact OD1-NH2 3.25Å; D1063-R1150 IonicContact OD2-CZ 2.89Å; D1063-R1150 IonicContact OD2-NH1 2.6Å; D1063-R1150 PolarHBondContact OD2-NH1 3.39Å; D1063-R1150 VanDerWaalsContact OD2-NH1 3.09Å; D1063-R1150 IonicContact OD2-NH2 2.78Å; D1063-R1150 PolarHBondContact OD2-NH2 3.08Å; V1146-R1150 HydrophobicContact CG1-CG 4.34Å; V1146-R1150 WeakPolarHBondContact O-CB 3.25Å; V1146-R1150 WeakPolarHBondContact O-CG 3.42Å; V1146-R1150 PolarHBondContact O-N 3.26Å; R1150-A1160 HydrophobicContact CG-CB 3.88Å; R1150-E1161 IonicContact CZ-OE2 3.97Å; R1150-E1161 IonicContact NH2-OE2 3.57Å; R1150-E1161 PolarHBondContact NH2-OE2 3.03Å |
| 1151 | S | 92.2 | Very high | 94.1 | Very high | 30 Ų | 30 | 33.1 Ų | 33.1 | 21% | 0.21 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -109 | -8.6 | -167.9 | -53.4 | 0 | 0 | 0 | 0 | 114.6 | A1112 D1147 G1153 | A1112-S1151 WeakPolarHBondContact O-CB 3.36Å; A1112-S1151 PolarHBondContact O-OG 2.95Å; D1147-S1151 WeakPolarHBondContact O-CA 3.42Å; D1147-S1151 WeakPolarHBondContact O-CB 3.2Å; D1147-S1151 PolarHBondContact O-N 3.02Å; D1147-S1151 PolarHBondContact O-OG 3.5Å; S1151-G1153 PolarHBondContact O-N 3.43Å |
| 1152 | S | 91.5 | Very high | 94 | Very high | 11 Ų | 11 | 38.9 Ų | 38.9 | 8% | 0.077 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -69 | -20.6 | 179.4 | 60.3 | 0 | 0 | 0 | 0 | 114.2 | Y997 L1148 Y1154 | Y997-S1152 WeakPolarHBondContact OH-CA 3.43Å; Y997-S1152 WeakPolarHBondContact OH-CB 3.42Å; L1148-S1152 WeakPolarHBondContact O-CB 3.46Å; L1148-S1152 PolarHBondContact O-N 3.14Å; L1148-S1152 PolarHBondContact O-OG 3.46Å; S1152-Y1154 VanDerWaalsContact C-N 3.29Å; S1152-Y1154 VanDerWaalsContact O-CD2 3.28Å; S1152-Y1154 WeakPolarHBondContact O-CD2 3.31Å; S1152-Y1154 PolarHBondContact OG-N 3.23Å |
| 1153 | G | 91.6 | Very high | 93.9 | Very high | 71 Ų | 71 | 40.3 Ų | 40.3 | 73% | 0.732 | 22% | 0.218 | S | C | * | . | S | Bend | trans | 80.6 | 3.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1151 | S1151-G1153 PolarHBondContact O-N 3.43Š|
| 1154 | Y | 92.7 | Very high | 93.6 | Very high | 98 Ų | 98 | 40.4 Ų | 40.4 | 38% | 0.384 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -96.8 | -9.7 | 179.7 | -73.6 | -98.4 | 0 | 0 | 0 | 114.1 | R993 P995 S1152 | R993-Y1154 WeakPolarHBondContact O-CE1 3.14Å; P995-Y1154 HydrophobicContact CB-CE2 4.09Å; P995-Y1154 VanDerWaalsContact CD-CE2 3.43Å; P995-Y1154 HydrophobicContact CG-CD2 4.13Å; P995-Y1154 HydrophobicContact CG-CE2 3.6Å; S1152-Y1154 VanDerWaalsContact C-N 3.29Å; S1152-Y1154 VanDerWaalsContact O-CD2 3.28Å; S1152-Y1154 WeakPolarHBondContact O-CD2 3.31Å; S1152-Y1154 PolarHBondContact OG-N 3.23Å |
| 1155 | F | 95.1 | Very high | 93.3 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 8% | 0.075 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -132.3 | 145.3 | -179.1 | -52.4 | -91.7 | 0 | 0 | 0 | 110.3 | F990 R992 L994 L1149 E1159 A1160 Y1163 | F990-F1155 HydrophobicContact CB-CE1 3.76Å; F990-F1155 HydrophobicContact CB-CZ 3.8Å; F990-F1155 AromaticContact CD1-CE1 3.76Å; F990-F1155 HydrophobicContact CD1-CE1 3.76Å; F990-F1155 AromaticContact CD1-CZ 3.83Å; F990-F1155 HydrophobicContact CD1-CZ 3.83Å; F990-F1155 AromaticContact CG-CE1 3.97Å; F990-F1155 HydrophobicContact CG-CE1 3.97Å; F990-F1155 AromaticContact CG-CZ 3.8Å; F990-F1155 HydrophobicContact CG-CZ 3.8Å; R992-F1155 HydrophobicContact CG-CE1 4.22Å; R992-F1155 HydrophobicContact CG-CZ 4.47Å; L994-F1155 HydrophobicContact CD2-CE2 3.74Å; L994-F1155 HydrophobicContact CD2-CZ 3.76Å; L1149-F1155 HydrophobicContact CD2-CD1 4.2Å; L1149-F1155 HydrophobicContact CD2-CD2 3.86Å; L1149-F1155 HydrophobicContact CD2-CE1 3.96Å; L1149-F1155 HydrophobicContact CD2-CE2 3.62Å; L1149-F1155 HydrophobicContact CD2-CG 4.14Å; L1149-F1155 HydrophobicContact CD2-CZ 3.65Å; L1149-F1155 WeakPolarHBondContact O-CB 3.25Å; L1149-F1155 WeakPolarHBondContact O-CD2 3.44Å; F1155-E1159 VanDerWaalsContact CA-OE2 3.27Å; F1155-E1159 WeakPolarHBondContact CA-OE2 3.1Å; F1155-E1159 HydrophobicContact CB-CB 4.16Å; F1155-E1159 HydrophobicContact CD1-CB 4.42Å; F1155-A1160 HydrophobicContact CB-CB 4.48Å; F1155-Y1163 AromaticContact CD1-CD2 3.93Å; F1155-Y1163 HydrophobicContact CD1-CD2 3.93Å; F1155-Y1163 AromaticContact CD1-CE2 3.73Å; F1155-Y1163 HydrophobicContact CD1-CE2 3.73Å; F1155-Y1163 AromaticContact CE1-CD2 3.93Å; F1155-Y1163 HydrophobicContact CE1-CD2 3.93Å; F1155-Y1163 AromaticContact CE1-CE2 3.6Å; F1155-Y1163 HydrophobicContact CE1-CE2 3.6Å |
| 1156 | T | 93.7 | Very high | 93.1 | Very high | 66 Ų | 66 | 48.9 Ų | 48.9 | 41% | 0.405 | 27% | 0.266 | S | S | . | . | trans | -73.5 | 163.4 | 164.6 | 81.3 | 0 | 0 | 0 | 0 | 110.3 | E1158 E1159 A1160 | T1156-E1158 VanDerWaalsContact CB-OE2 3.22Å; T1156-E1158 WeakPolarHBondContact CB-OE2 3.35Å; T1156-E1158 PolarHBondContact O-N 2.93Å; T1156-E1158 PolarHBondContact OG1-N 3.36Å; T1156-E1158 PolarHBondContact OG1-OE2 2.81Å; T1156-E1159 PolarHBondContact N-OE2 2.96Å; T1156-E1159 PolarHBondContact O-N 2.77Å; T1156-E1159 PolarHBondContact OG1-N 2.88Å; T1156-E1159 VanDerWaalsContact OG1-N 3.16Å; T1156-A1160 WeakPolarHBondContact O-CB 3.39Å; T1156-A1160 PolarHBondContact O-N 3.25Å | ||
| 1157 | C | 89.9 | Confident | 92.7 | Very high | 88 Ų | 88 | 49.4 Ų | 49.4 | 60% | 0.595 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -58.4 | -36.4 | 175.1 | -67.2 | 0 | 0 | 0 | 0 | 111.6 | E1161 | C1157-E1161 WeakPolarHBondContact O-CB 3.12Å; C1157-E1161 PolarHBondContact O-N 3.19Å |
| 1158 | E | 92.9 | Very high | 92.5 | Very high | 140 Ų | 140 | 50.1 Ų | 50.1 | 65% | 0.654 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -67.1 | -45.8 | 176.4 | -56.2 | 75.6 | -163.3 | 0 | 0 | 111.7 | T1156 A1160 E1161 E1162 | T1156-E1158 VanDerWaalsContact CB-OE2 3.22Å; T1156-E1158 WeakPolarHBondContact CB-OE2 3.35Å; T1156-E1158 PolarHBondContact O-N 2.93Å; T1156-E1158 PolarHBondContact OG1-N 3.36Å; T1156-E1158 PolarHBondContact OG1-OE2 2.81Å; E1158-A1160 VanDerWaalsContact C-N 3.34Å; E1158-A1160 PolarHBondContact O-N 2.93Å; E1158-E1161 PolarHBondContact O-N 2.96Å; E1158-E1162 WeakPolarHBondContact O-CB 3.22Å; E1158-E1162 PolarHBondContact O-N 2.97Å |
| 1159 | E | 94.2 | Very high | 92.4 | Very high | 52 Ų | 52 | 50.1 Ų | 50.1 | 24% | 0.243 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 175.2 | -72.3 | 177.7 | 140.7 | 0 | 0 | 111 | R992 F1155 T1156 E1162 Y1163 | R992-E1159 IonicContact CZ-OE1 2.78Å; R992-E1159 IonicContact NH2-OE1 3.78Å; R992-E1159 PolarHBondContact NH2-OE1 2.88Å; R992-E1159 IonicContact NH2-OE2 3.67Å; R992-E1159 PolarHBondContact NH2-OE2 3.47Å; F1155-E1159 VanDerWaalsContact CA-OE2 3.27Å; F1155-E1159 WeakPolarHBondContact CA-OE2 3.1Å; F1155-E1159 HydrophobicContact CB-CB 4.16Å; F1155-E1159 HydrophobicContact CD1-CB 4.42Å; T1156-E1159 PolarHBondContact N-OE2 2.96Å; T1156-E1159 PolarHBondContact O-N 2.77Å; T1156-E1159 PolarHBondContact OG1-N 2.88Å; T1156-E1159 VanDerWaalsContact OG1-N 3.16Å; E1159-E1162 PolarHBondContact O-N 3.44Å; E1159-Y1163 WeakPolarHBondContact O-CD2 3.28Å; E1159-Y1163 PolarHBondContact O-N 2.63Å |
| 1160 | A | 92.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1149 R1150 F1155 T1156 E1158 E1162 Y1163 I1164 | L1149-A1160 HydrophobicContact CB-CB 3.65Å; R1150-A1160 HydrophobicContact CG-CB 3.88Å; F1155-A1160 HydrophobicContact CB-CB 4.48Å; T1156-A1160 WeakPolarHBondContact O-CB 3.39Å; T1156-A1160 PolarHBondContact O-N 3.25Å; E1158-A1160 VanDerWaalsContact C-N 3.34Å; E1158-A1160 PolarHBondContact O-N 2.93Å; A1160-E1162 VanDerWaalsContact C-N 3.34Å; A1160-E1162 PolarHBondContact O-N 3.36Å; A1160-Y1163 PolarHBondContact O-N 3.16Å; A1160-I1164 WeakPolarHBondContact O-CG1 3.44Å; A1160-I1164 PolarHBondContact O-N 3.02Å; A1160-I1164 VanDerWaalsContact O-N 3.15Å |
| 1161 | E | 91.8 | Very high | 92.1 | Very high | 62 Ų | 62 | 51.5 Ų | 51.5 | 29% | 0.29 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.6 | -37.2 | 178 | -168 | 62.7 | -157.1 | 0 | 0 | 111.9 | R1150 C1157 E1158 I1164 T1165 | R1150-E1161 IonicContact CZ-OE2 3.97Å; R1150-E1161 IonicContact NH2-OE2 3.57Å; R1150-E1161 PolarHBondContact NH2-OE2 3.03Å; C1157-E1161 WeakPolarHBondContact O-CB 3.12Å; C1157-E1161 PolarHBondContact O-N 3.19Å; E1158-E1161 PolarHBondContact O-N 2.96Å; E1161-I1164 PolarHBondContact O-N 2.78Å; E1161-T1165 VanDerWaalsContact O-CB 3.27Å; E1161-T1165 WeakPolarHBondContact O-CB 3.46Å; E1161-T1165 PolarHBondContact O-N 3.21Å; E1161-T1165 PolarHBondContact O-OG1 3.38Å |
| 1162 | E | 93.7 | Very high | 92.2 | Very high | 121 Ų | 121 | 50.1 Ų | 50.1 | 57% | 0.565 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -60.7 | -49.8 | 174.3 | -174.4 | 176.9 | -171.2 | 0 | 0 | 111 | E1158 E1159 A1160 I1164 T1165 I1166 | E1158-E1162 WeakPolarHBondContact O-CB 3.22Å; E1158-E1162 PolarHBondContact O-N 2.97Å; E1159-E1162 PolarHBondContact O-N 3.44Å; A1160-E1162 VanDerWaalsContact C-N 3.34Å; A1160-E1162 PolarHBondContact O-N 3.36Å; E1162-I1164 VanDerWaalsContact C-N 3.32Å; E1162-I1164 PolarHBondContact O-N 2.88Å; E1162-T1165 PolarHBondContact O-N 3.46Å; E1162-I1166 HydrophobicContact CG-CG2 4.25Å; E1162-I1166 WeakPolarHBondContact O-CG1 3.27Å; E1162-I1166 WeakPolarHBondContact O-CG2 3.25Å; E1162-I1166 PolarHBondContact O-N 2.84Å |
| 1163 | Y | 94 | Very high | 92.3 | Very high | 30 Ų | 30 | 50 Ų | 50 | 12% | 0.118 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.5 | -38.2 | 179.3 | -79.1 | -59.2 | 0 | 0 | 0 | 113.2 | W989 F990 L1149 F1155 E1159 A1160 I1166 T1168 | W989-Y1163 WeakPolarHBondContact O-CE1 3.21Å; F990-Y1163 WeakPolarHBondContact CA-OH 3.18Å; F990-Y1163 AromaticContact CD1-CD1 3.81Å; F990-Y1163 HydrophobicContact CD1-CD1 3.81Å; F990-Y1163 AromaticContact CD1-CD2 3.99Å; F990-Y1163 HydrophobicContact CD1-CD2 3.99Å; F990-Y1163 AromaticContact CD1-CE1 3.72Å; F990-Y1163 HydrophobicContact CD1-CE1 3.72Å; F990-Y1163 AromaticContact CD1-CE2 3.91Å; F990-Y1163 HydrophobicContact CD1-CE2 3.91Å; F990-Y1163 AromaticContact CD1-CG 3.97Å; F990-Y1163 HydrophobicContact CD1-CG 3.97Å; F990-Y1163 AromaticContact CD1-CZ 3.79Å; F990-Y1163 AromaticContact CE1-CD1 3.9Å; F990-Y1163 HydrophobicContact CE1-CD1 3.9Å; F990-Y1163 HydrophobicContact CE1-CD2 4.4Å; F990-Y1163 HydrophobicContact CE1-CE1 4.25Å; F990-Y1163 HydrophobicContact CE1-CG 4.01Å; F990-Y1163 PolarHBondContact O-OH 2.98Å; L1149-Y1163 HydrophobicContact CD2-CD2 4.45Å; F1155-Y1163 AromaticContact CD1-CD2 3.93Å; F1155-Y1163 HydrophobicContact CD1-CD2 3.93Å; F1155-Y1163 AromaticContact CD1-CE2 3.73Å; F1155-Y1163 HydrophobicContact CD1-CE2 3.73Å; F1155-Y1163 AromaticContact CE1-CD2 3.93Å; F1155-Y1163 HydrophobicContact CE1-CD2 3.93Å; F1155-Y1163 AromaticContact CE1-CE2 3.6Å; F1155-Y1163 HydrophobicContact CE1-CE2 3.6Å; E1159-Y1163 WeakPolarHBondContact O-CD2 3.28Å; E1159-Y1163 PolarHBondContact O-N 2.63Å; A1160-Y1163 PolarHBondContact O-N 3.16Å; Y1163-I1166 HydrophobicContact CD1-CD1 3.99Å; Y1163-I1166 HydrophobicContact CE1-CD1 4.43Å; Y1163-T1168 VanDerWaalsContact O-CB 3.23Å; Y1163-T1168 WeakPolarHBondContact O-CB 3.34Å; Y1163-T1168 PolarHBondContact O-N 3.28Å; Y1163-T1168 PolarHBondContact O-OG1 3.29Å |
| 1164 | I | 91.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.6 | -44.4 | 172.4 | -63 | -60.8 | 0 | 0 | 0 | 110.4 | A1055 R1056 M1145 V1146 L1149 A1160 E1161 E1162 I1166 G1167 L1169 | A1055-I1164 HydrophobicContact CB-CD1 4.48Å; A1055-I1164 HydrophobicContact CB-CG2 4.46Å; R1056-I1164 HydrophobicContact CG-CG2 4.01Å; R1056-I1164 PolarHBondContact NH2-O 3.08Å; M1145-I1164 HydrophobicContact CG-CD1 4.47Å; V1146-I1164 HydrophobicContact CG2-CD1 3.89Å; V1146-I1164 HydrophobicContact CG2-CG1 4.2Å; L1149-I1164 HydrophobicContact CD1-CD1 3.75Å; L1149-I1164 HydrophobicContact CD1-CG1 3.96Å; A1160-I1164 WeakPolarHBondContact O-CG1 3.44Å; A1160-I1164 PolarHBondContact O-N 3.02Å; A1160-I1164 VanDerWaalsContact O-N 3.15Å; E1161-I1164 PolarHBondContact O-N 2.78Å; E1162-I1164 VanDerWaalsContact C-N 3.32Å; E1162-I1164 PolarHBondContact O-N 2.88Å; I1164-I1166 PolarHBondContact O-N 3.1Å; I1164-G1167 PolarHBondContact O-N 2.78Å; I1164-L1169 HydrophobicContact CD1-CD1 3.91Å; I1164-L1169 HydrophobicContact CD1-CG 4.49Å |
| 1165 | T | 90.1 | Very high | 92.7 | Very high | 71 Ų | 71 | 47.4 Ų | 47.4 | 44% | 0.436 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.8 | -40.3 | -175.6 | -62.8 | 0 | 0 | 0 | 0 | 113.1 | R1056 E1161 E1162 G1167 | R1056-T1165 PolarHBondContact NH2-O 3.04Å; E1161-T1165 VanDerWaalsContact O-CB 3.27Å; E1161-T1165 WeakPolarHBondContact O-CB 3.46Å; E1161-T1165 PolarHBondContact O-N 3.21Å; E1161-T1165 PolarHBondContact O-OG1 3.38Å; E1162-T1165 PolarHBondContact O-N 3.46Å; T1165-G1167 PolarHBondContact O-N 3.34Å |
| 1166 | I | 91.2 | Very high | 92.7 | Very high | 111 Ų | 111 | 46.6 Ų | 46.6 | 57% | 0.569 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -3.3 | 179.8 | 69 | 179.9 | 0 | 0 | 0 | 113.4 | E1162 Y1163 I1164 | E1162-I1166 HydrophobicContact CG-CG2 4.25Å; E1162-I1166 WeakPolarHBondContact O-CG1 3.27Å; E1162-I1166 WeakPolarHBondContact O-CG2 3.25Å; E1162-I1166 PolarHBondContact O-N 2.84Å; Y1163-I1166 HydrophobicContact CD1-CD1 3.99Å; Y1163-I1166 HydrophobicContact CE1-CD1 4.43Å; I1164-I1166 PolarHBondContact O-N 3.1Å |
| 1167 | G | 88.1 | Confident | 92.8 | Very high | 11 Ų | 11 | 44 Ų | 44 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 33.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I1164 T1165 L1169 N1170 G1171 | I1164-G1167 PolarHBondContact O-N 2.78Å; T1165-G1167 PolarHBondContact O-N 3.34Å; G1167-L1169 PolarHBondContact O-N 3.01Å; G1167-N1170 WeakPolarHBondContact O-CB 3.41Å; G1167-N1170 PolarHBondContact O-N 3.11Å; G1167-G1171 PolarHBondContact O-N 3.07Å; G1167-G1171 VanDerWaalsContact O-N 3.12Å |
| 1168 | T | 92.2 | Very high | 93.2 | Very high | 17 Ų | 17 | 40.8 Ų | 40.8 | 10% | 0.104 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.2 | -34.6 | 174.6 | -65 | 0 | 0 | 0 | 0 | 112.4 | W989 F990 M1145 Y1163 G1171 L1172 | W989-T1168 HydrophobicContact CE3-CG2 3.93Å; W989-T1168 HydrophobicContact CZ3-CG2 4.27Å; F990-T1168 HydrophobicContact CE1-CG2 3.74Å; F990-T1168 HydrophobicContact CZ-CG2 3.62Å; M1145-T1168 HydrophobicContact CE-CG2 4.4Å; Y1163-T1168 VanDerWaalsContact O-CB 3.23Å; Y1163-T1168 WeakPolarHBondContact O-CB 3.34Å; Y1163-T1168 PolarHBondContact O-N 3.28Å; Y1163-T1168 PolarHBondContact O-OG1 3.29Å; T1168-G1171 WeakPolarHBondContact O-CA 3.32Å; T1168-G1171 PolarHBondContact O-N 2.96Å; T1168-L1172 PolarHBondContact O-N 3.36Å |
| 1169 | L | 92 | Very high | 93.4 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.2 | -36.8 | 175.6 | -79.5 | 167.2 | 0 | 0 | 0 | 113.3 | L1051 D1052 A1055 I1141 M1145 I1164 G1167 G1171 L1172 F1173 | L1051-L1169 HydrophobicContact CB-CB 4.24Å; L1051-L1169 HydrophobicContact CB-CD2 4.41Å; L1051-L1169 HydrophobicContact CD2-CD2 4.39Å; D1052-L1169 HydrophobicContact CB-CB 4.23Å; A1055-L1169 HydrophobicContact CB-CD1 3.25Å; I1141-L1169 HydrophobicContact CG2-CD2 4.16Å; M1145-L1169 HydrophobicContact CB-CD1 4.46Å; M1145-L1169 HydrophobicContact CB-CD2 3.65Å; M1145-L1169 HydrophobicContact CB-CG 4.32Å; M1145-L1169 HydrophobicContact CG-CD2 3.76Å; M1145-L1169 HydrophobicContact CG-CG 4.16Å; I1164-L1169 HydrophobicContact CD1-CD1 3.91Å; I1164-L1169 HydrophobicContact CD1-CG 4.49Å; G1167-L1169 PolarHBondContact O-N 3.01Å; L1169-G1171 VanDerWaalsContact C-N 3.31Å; L1169-L1172 PolarHBondContact O-N 3Å; L1169-F1173 PolarHBondContact O-N 2.88Å |
| 1170 | N | 91.5 | Very high | 93.5 | Very high | 54 Ų | 54 | 36.7 Ų | 36.7 | 29% | 0.289 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 171.6 | -66.3 | -39.2 | 0 | 0 | 0 | 110.3 | G1167 L1172 F1173 V1174 | G1167-N1170 WeakPolarHBondContact O-CB 3.41Å; G1167-N1170 PolarHBondContact O-N 3.11Å; N1170-L1172 VanDerWaalsContact C-N 3.33Å; N1170-L1172 PolarHBondContact O-N 3.46Å; N1170-F1173 PolarHBondContact O-N 3.33Å; N1170-V1174 WeakPolarHBondContact O-CB 3.46Å; N1170-V1174 VanDerWaalsContact O-CG2 3.26Å; N1170-V1174 WeakPolarHBondContact O-CG2 3.47Å; N1170-V1174 PolarHBondContact O-N 2.89Å |
| 1171 | G | 92.7 | Very high | 93.8 | Very high | 28 Ų | 28 | 36.7 Ų | 36.7 | 29% | 0.289 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -56.7 | -45.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G1167 T1168 L1169 V1174 L1175 | G1167-G1171 PolarHBondContact O-N 3.07Å; G1167-G1171 VanDerWaalsContact O-N 3.12Å; T1168-G1171 WeakPolarHBondContact O-CA 3.32Å; T1168-G1171 PolarHBondContact O-N 2.96Å; L1169-G1171 VanDerWaalsContact C-N 3.31Å; G1171-V1174 PolarHBondContact O-N 3.49Å; G1171-L1175 WeakPolarHBondContact O-CB 3.37Å; G1171-L1175 PolarHBondContact O-N 3.44Å |
| 1172 | L | 93.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 178.6 | -169.3 | 64.8 | 0 | 0 | 0 | 111.9 | W989 C1005 L1006 I1141 T1168 L1169 N1170 G1176 | W989-L1172 HydrophobicContact CZ3-CB 4.18Å; W989-L1172 HydrophobicContact CZ3-CD1 4.39Å; C1005-L1172 HydrophobicContact CB-CD1 4.46Å; C1005-L1172 HydrophobicContact CB-CD2 3.67Å; C1005-L1172 HydrophobicContact CB-CG 4.25Å; L1006-L1172 HydrophobicContact CD2-CD1 3.76Å; L1006-L1172 HydrophobicContact CG-CD1 4.17Å; I1141-L1172 HydrophobicContact CG2-CD2 4.32Å; T1168-L1172 PolarHBondContact O-N 3.36Å; L1169-L1172 PolarHBondContact O-N 3Å; N1170-L1172 VanDerWaalsContact C-N 3.33Å; N1170-L1172 PolarHBondContact O-N 3.46Å; L1172-G1176 PolarHBondContact O-N 2.95Å |
| 1173 | F | 94.5 | Very high | 94.3 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.8 | -44.7 | 176.3 | -174 | -91.9 | 0 | 0 | 0 | 112.1 | T1009 I1043 F1047 L1051 L1169 N1170 G1176 R1177 | T1009-F1173 HydrophobicContact CG2-CD2 4.2Å; I1043-F1173 HydrophobicContact CD1-CD1 4.16Å; I1043-F1173 HydrophobicContact CD1-CE1 4.12Å; I1043-F1173 HydrophobicContact CG1-CE1 4.26Å; I1043-F1173 HydrophobicContact CG2-CD1 3.95Å; I1043-F1173 HydrophobicContact CG2-CE1 4.26Å; F1047-F1173 HydrophobicContact CE2-CZ 4.5Å; F1047-F1173 HydrophobicContact CZ-CE1 4.43Å; F1047-F1173 HydrophobicContact CZ-CZ 4.41Å; L1051-F1173 HydrophobicContact CD1-CB 4.49Å; L1051-F1173 HydrophobicContact CD1-CD2 3.64Å; L1051-F1173 HydrophobicContact CD1-CE2 4.28Å; L1051-F1173 HydrophobicContact CD1-CG 4.37Å; L1051-F1173 HydrophobicContact CD2-CB 4.36Å; L1169-F1173 PolarHBondContact O-N 2.88Å; N1170-F1173 PolarHBondContact O-N 3.33Å; F1173-G1176 PolarHBondContact O-N 3.38Å; F1173-R1177 HydrophobicContact CD1-CB 4.42Å; F1173-R1177 HydrophobicContact CE1-CB 4.21Å; F1173-R1177 HydrophobicContact CE1-CG 4.29Å; F1173-R1177 WeakPolarHBondContact O-CB 3.28Å; F1173-R1177 PolarHBondContact O-N 2.97Å |
| 1174 | V | 95.1 | Very high | 94.5 | Very high | 50 Ų | 50 | 32 Ų | 32 | 30% | 0.303 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.1 | -46.6 | 177.5 | 167.7 | 0 | 0 | 0 | 0 | 110.8 | L1040 I1043 N1170 G1171 S1178 | L1040-V1174 HydrophobicContact CD2-CG1 4.29Å; I1043-V1174 HydrophobicContact CB-CG2 4.39Å; I1043-V1174 HydrophobicContact CD1-CG2 3.97Å; I1043-V1174 HydrophobicContact CG2-CG2 3.83Å; N1170-V1174 WeakPolarHBondContact O-CB 3.46Å; N1170-V1174 VanDerWaalsContact O-CG2 3.26Å; N1170-V1174 WeakPolarHBondContact O-CG2 3.47Å; N1170-V1174 PolarHBondContact O-N 2.89Å; G1171-V1174 PolarHBondContact O-N 3.49Å; V1174-S1178 WeakPolarHBondContact O-CB 3.49Å; V1174-S1178 PolarHBondContact O-N 3.39Å; V1174-S1178 PolarHBondContact O-OG 2.74Å |
| 1175 | L | 95.8 | Very high | 94.8 | Very high | 65 Ų | 65 | 33.5 Ų | 33.5 | 34% | 0.34 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64 | -48.3 | -180 | -179.6 | 59.3 | 0 | 0 | 0 | 111.5 | L985 W989 L1006 G1171 S1178 | L985-L1175 HydrophobicContact CD1-CD2 4.06Å; L985-L1175 HydrophobicContact CD2-CD2 3.68Å; L985-L1175 HydrophobicContact CG-CD2 4.44Å; W989-L1175 HydrophobicContact CH2-CB 4.36Å; W989-L1175 HydrophobicContact CH2-CD2 4.13Å; W989-L1175 HydrophobicContact CZ2-CD2 3.89Å; L1006-L1175 HydrophobicContact CD1-CD2 4.34Å; L1006-L1175 HydrophobicContact CD2-CB 4.04Å; L1006-L1175 HydrophobicContact CD2-CD2 3.92Å; L1006-L1175 HydrophobicContact CD2-CG 3.82Å; G1171-L1175 WeakPolarHBondContact O-CB 3.37Å; G1171-L1175 PolarHBondContact O-N 3.44Å; L1175-S1178 WeakPolarHBondContact O-CB 3.34Å; L1175-S1178 PolarHBondContact O-N 3.18Å |
| 1176 | G | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.1 | -53.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1010 L1172 F1173 S1178 I1179 | A1010-G1176 VanDerWaalsContact CA-O 3.31Å; A1010-G1176 WeakPolarHBondContact CA-O 3.34Å; L1172-G1176 PolarHBondContact O-N 2.95Å; F1173-G1176 PolarHBondContact O-N 3.38Å; G1176-S1178 PolarHBondContact O-N 2.91Å; G1176-S1178 VanDerWaalsContact O-N 3.16Å; G1176-I1179 VanDerWaalsContact O-CB 3.27Å; G1176-I1179 WeakPolarHBondContact O-CB 3.48Å; G1176-I1179 WeakPolarHBondContact O-CG1 3.34Å; G1176-I1179 PolarHBondContact O-N 3.32Å |
| 1177 | R | 96.3 | Very high | 95.5 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 5% | 0.045 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.2 | -26.4 | -175.7 | -168.7 | 53.2 | 50.5 | 142.5 | 3.3 | 114.2 | T1009 A1010 D1011 I1043 F1173 I1179 G1180 F1181 | T1009-R1177 VanDerWaalsContact O-CZ 3.23Å; T1009-R1177 PolarHBondContact O-NE 3.41Å; T1009-R1177 PolarHBondContact O-NH2 3Å; A1010-R1177 WeakPolarHBondContact O-CA 2.95Å; D1011-R1177 VanDerWaalsContact C-NH1 3.33Å; D1011-R1177 IonicContact OD1-NH1 3.79Å; I1043-R1177 HydrophobicContact CD1-CB 4.28Å; I1043-R1177 HydrophobicContact CD1-CG 4.27Å; F1173-R1177 HydrophobicContact CD1-CB 4.42Å; F1173-R1177 HydrophobicContact CE1-CB 4.21Å; F1173-R1177 HydrophobicContact CE1-CG 4.29Å; F1173-R1177 WeakPolarHBondContact O-CB 3.28Å; F1173-R1177 PolarHBondContact O-N 2.97Å; R1177-I1179 PolarHBondContact O-N 2.95Å; R1177-G1180 PolarHBondContact O-N 3.01Å; R1177-F1181 VanDerWaalsContact CD-CE1 3.43Å; R1177-F1181 HydrophobicContact CG-CD1 4.05Å; R1177-F1181 HydrophobicContact CG-CD2 4.3Å; R1177-F1181 HydrophobicContact CG-CE1 3.46Å; R1177-F1181 VanDerWaalsContact CG-CE1 3.46Å; R1177-F1181 HydrophobicContact CG-CE2 3.74Å; R1177-F1181 HydrophobicContact CG-CG 4.43Å; R1177-F1181 HydrophobicContact CG-CZ 3.27Å; R1177-F1181 PolarHBondContact O-N 3.15Å; R1177-F1181 VanDerWaalsContact O-N 3.08Å |
| 1178 | S | 97.3 | Very high | 95.9 | Very high | 19 Ų | 19 | 32.2 Ų | 32.2 | 13% | 0.133 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.1 | -33.7 | 174.3 | -64.8 | 0 | 0 | 0 | 0 | 112.1 | L1040 V1174 L1175 G1176 F1181 I1182 | L1040-S1178 WeakPolarHBondContact CD2-OG 3.18Å; V1174-S1178 WeakPolarHBondContact O-CB 3.49Å; V1174-S1178 PolarHBondContact O-N 3.39Å; V1174-S1178 PolarHBondContact O-OG 2.74Å; L1175-S1178 WeakPolarHBondContact O-CB 3.34Å; L1175-S1178 PolarHBondContact O-N 3.18Å; G1176-S1178 PolarHBondContact O-N 2.91Å; G1176-S1178 VanDerWaalsContact O-N 3.16Å; S1178-F1181 PolarHBondContact O-N 3.24Å; S1178-I1182 VanDerWaalsContact O-CG1 3.28Å; S1178-I1182 WeakPolarHBondContact O-CG1 3.4Å; S1178-I1182 PolarHBondContact O-N 3.18Å |
| 1179 | I | 97.7 | Very high | 96.1 | Very high | 98 Ų | 98 | 35.2 Ų | 35.2 | 50% | 0.503 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.6 | -50.5 | 177.1 | -58.8 | 168.5 | 0 | 0 | 0 | 110.1 | A1010 G1176 R1177 G1183 | A1010-I1179 HydrophobicContact CB-CB 4.36Å; A1010-I1179 HydrophobicContact CB-CG2 4.42Å; G1176-I1179 VanDerWaalsContact O-CB 3.27Å; G1176-I1179 WeakPolarHBondContact O-CB 3.48Å; G1176-I1179 WeakPolarHBondContact O-CG1 3.34Å; G1176-I1179 PolarHBondContact O-N 3.32Å; R1177-I1179 PolarHBondContact O-N 2.95Å; I1179-G1183 PolarHBondContact O-N 2.84Å |
| 1180 | G | 97.3 | Very high | 96.4 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.3 | -40.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1010 R1177 G1183 H1184 | A1010-G1180 WeakPolarHBondContact O-CA 3.36Å; A1010-G1180 PolarHBondContact O-N 2.8Å; R1177-G1180 PolarHBondContact O-N 3.01Å; G1180-G1183 CarbonylContact O-C 3.46Å; G1180-G1183 WeakPolarHBondContact O-CA 3.35Å; G1180-G1183 PolarHBondContact O-N 3.01Å; G1180-G1183 VanDerWaalsContact O-N 3.15Å; G1180-H1184 PolarHBondContact O-CD2 3.32Å; G1180-H1184 PolarHBondContact O-N 3.45Å |
| 1181 | F | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67 | -40.7 | 179.6 | -68.5 | -1.1 | 0 | 0 | 0 | 112.1 | V1016 A1019 T1022 L1036 L1040 I1043 F1047 R1177 S1178 G1183 H1184 Y1185 | V1016-F1181 HydrophobicContact CG2-CE1 4.43Å; A1019-F1181 HydrophobicContact CB-CD1 4.06Å; A1019-F1181 HydrophobicContact CB-CE1 3.77Å; T1022-F1181 HydrophobicContact CG2-CB 4.28Å; T1022-F1181 VanDerWaalsContact CG2-O 3.31Å; T1022-F1181 WeakPolarHBondContact CG2-O 3.4Å; L1036-F1181 HydrophobicContact CD1-CB 3.56Å; L1036-F1181 HydrophobicContact CD1-CD2 4.24Å; L1036-F1181 HydrophobicContact CD1-CG 4.43Å; L1040-F1181 HydrophobicContact CD2-CD2 3.75Å; L1040-F1181 HydrophobicContact CD2-CE2 3.92Å; L1040-F1181 HydrophobicContact CG-CD2 4.22Å; I1043-F1181 HydrophobicContact CD1-CE2 4.27Å; F1047-F1181 AromaticContact CE1-CZ 3.96Å; F1047-F1181 HydrophobicContact CE1-CZ 3.96Å; F1047-F1181 HydrophobicContact CZ-CZ 4.11Å; R1177-F1181 VanDerWaalsContact CD-CE1 3.43Å; R1177-F1181 HydrophobicContact CG-CD1 4.05Å; R1177-F1181 HydrophobicContact CG-CD2 4.3Å; R1177-F1181 HydrophobicContact CG-CE1 3.46Å; R1177-F1181 VanDerWaalsContact CG-CE1 3.46Å; R1177-F1181 HydrophobicContact CG-CE2 3.74Å; R1177-F1181 HydrophobicContact CG-CG 4.43Å; R1177-F1181 HydrophobicContact CG-CZ 3.27Å; R1177-F1181 PolarHBondContact O-N 3.15Å; R1177-F1181 VanDerWaalsContact O-N 3.08Å; S1178-F1181 PolarHBondContact O-N 3.24Å; F1181-G1183 VanDerWaalsContact C-N 3.29Å; F1181-G1183 PolarHBondContact O-N 3.49Å; F1181-H1184 PolarHBondContact O-N 2.64Å; F1181-Y1185 PolarHBondContact O-N 3.34Å |
| 1182 | I | 98.2 | Very high | 96.8 | Very high | 57 Ų | 57 | 50.3 Ų | 50.3 | 29% | 0.292 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 170.6 | -67 | 167 | 0 | 0 | 0 | 110.1 | L1032 L1036 S1178 H1184 Y1185 L1186 | L1032-I1182 HydrophobicContact CD1-CG2 4.32Å; L1032-I1182 HydrophobicContact CD2-CG1 4.46Å; L1036-I1182 HydrophobicContact CD1-CG1 4.18Å; L1036-I1182 HydrophobicContact CD2-CD1 4.1Å; L1036-I1182 HydrophobicContact CD2-CG1 3.98Å; S1178-I1182 VanDerWaalsContact O-CG1 3.28Å; S1178-I1182 WeakPolarHBondContact O-CG1 3.4Å; S1178-I1182 PolarHBondContact O-N 3.18Å; I1182-H1184 VanDerWaalsContact C-N 3.32Å; I1182-H1184 PolarHBondContact O-N 3.05Å; I1182-Y1185 PolarHBondContact O-N 3.09Å; I1182-L1186 HydrophobicContact CG2-CD1 4.05Å; I1182-L1186 HydrophobicContact CG2-CG 4.34Å; I1182-L1186 WeakPolarHBondContact O-CG 3.39Å; I1182-L1186 PolarHBondContact O-N 3.01Å |
| 1183 | G | 97.7 | Very high | 96.9 | Very high | 37 Ų | 37 | 54.3 Ų | 54.3 | 38% | 0.381 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -54.3 | -46.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1179 G1180 F1181 L1186 D1187 | I1179-G1183 PolarHBondContact O-N 2.84Å; G1180-G1183 CarbonylContact O-C 3.46Å; G1180-G1183 WeakPolarHBondContact O-CA 3.35Å; G1180-G1183 PolarHBondContact O-N 3.01Å; G1180-G1183 VanDerWaalsContact O-N 3.15Å; F1181-G1183 VanDerWaalsContact C-N 3.29Å; F1181-G1183 PolarHBondContact O-N 3.49Å; G1183-L1186 PolarHBondContact O-N 3.07Å; G1183-D1187 VanDerWaalsContact O-CB 3.25Å; G1183-D1187 WeakPolarHBondContact O-CB 3.29Å; G1183-D1187 PolarHBondContact O-N 3.38Å |
| 1184 | H | 98.2 | Very high | 96.9 | Very high | 21 Ų | 21 | 56.1 Ų | 56.1 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 175.2 | -78.1 | -50.9 | 0 | 0 | 0 | 113.2 | D1011 I1023 G1180 F1181 I1182 D1187 Q1188 | D1011-H1184 IonicContact OD1-NE2 3.99Å; D1011-H1184 IonicContact OD2-NE2 3.63Å; I1023-H1184 HydrophobicContact CD1-CB 4.34Å; I1023-H1184 HydrophobicContact CG1-CB 3.94Å; G1180-H1184 PolarHBondContact O-CD2 3.32Å; G1180-H1184 PolarHBondContact O-N 3.45Å; F1181-H1184 PolarHBondContact O-N 2.64Å; I1182-H1184 VanDerWaalsContact C-N 3.32Å; I1182-H1184 PolarHBondContact O-N 3.05Å; H1184-D1187 PolarHBondContact O-N 3.44Å; H1184-Q1188 VanDerWaalsContact O-CG 3.24Å; H1184-Q1188 WeakPolarHBondContact O-CG 3.21Å; H1184-Q1188 PolarHBondContact O-N 3.16Å |
| 1185 | Y | 98.1 | Very high | 97 | Very high | 33 Ų | 33 | 60 Ų | 60 | 13% | 0.129 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.9 | -50.9 | 174.1 | 166.9 | -91.6 | 0 | 0 | 0 | 111.4 | T1026 L1032 F1181 I1182 D1187 Q1188 K1189 | T1026-Y1185 HydrophobicContact CG2-CD2 3.48Å; T1026-Y1185 VanDerWaalsContact CG2-CD2 3.48Å; T1026-Y1185 HydrophobicContact CG2-CE2 3.89Å; T1026-Y1185 HydrophobicContact CG2-CG 4.21Å; T1026-Y1185 VanDerWaalsContact OG1-CD2 3.3Å; T1026-Y1185 WeakPolarHBondContact OG1-CD2 3.23Å; L1032-Y1185 VanDerWaalsContact CA-CE2 3.47Å; L1032-Y1185 HydrophobicContact CB-CD1 3.98Å; L1032-Y1185 HydrophobicContact CB-CD2 4.5Å; L1032-Y1185 HydrophobicContact CB-CE1 3.6Å; L1032-Y1185 HydrophobicContact CB-CE2 4.15Å; L1032-Y1185 HydrophobicContact CB-CG 4.43Å; L1032-Y1185 HydrophobicContact CD1-CD1 3.8Å; L1032-Y1185 HydrophobicContact CD1-CE1 3.8Å; L1032-Y1185 HydrophobicContact CG-CD1 3.82Å; L1032-Y1185 HydrophobicContact CG-CE1 3.9Å; L1032-Y1185 HydrophobicContact CG-CG 4.32Å; L1032-Y1185 PolarHBondContact N-OH 3.01Å; F1181-Y1185 PolarHBondContact O-N 3.34Å; I1182-Y1185 PolarHBondContact O-N 3.09Å; Y1185-D1187 VanDerWaalsContact C-N 3.31Å; Y1185-D1187 PolarHBondContact O-N 2.85Å; Y1185-Q1188 PolarHBondContact O-N 2.82Å; Y1185-K1189 HydrophobicContact CD2-CG 4.48Å; Y1185-K1189 HydrophobicContact CE1-CG 4.03Å; Y1185-K1189 HydrophobicContact CE2-CD 4.43Å; Y1185-K1189 HydrophobicContact CE2-CG 4.01Å; Y1185-K1189 WeakPolarHBondContact O-CG 3.32Å; Y1185-K1189 PolarHBondContact O-N 2.83Å; Y1185-K1189 WeakPolarHBondContact OH-CE 3.48Å |
| 1186 | L | 97.9 | Very high | 97 | Very high | 97 Ų | 97 | 60 Ų | 60 | 51% | 0.508 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | -179.8 | -67.1 | 176.1 | 0 | 0 | 0 | 111.3 | I1182 G1183 K1189 R1190 | I1182-L1186 HydrophobicContact CG2-CD1 4.05Å; I1182-L1186 HydrophobicContact CG2-CG 4.34Å; I1182-L1186 WeakPolarHBondContact O-CG 3.39Å; I1182-L1186 PolarHBondContact O-N 3.01Å; G1183-L1186 PolarHBondContact O-N 3.07Å; L1186-K1189 PolarHBondContact O-N 3.21Å; L1186-R1190 WeakPolarHBondContact O-CB 3.37Å; L1186-R1190 PolarHBondContact O-N 3.37Å |
| 1187 | D | 97.9 | Very high | 97 | Very high | 47 Ų | 47 | 67.9 Ų | 67.9 | 25% | 0.251 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 175.7 | -176.1 | 52.3 | 0 | 0 | 0 | 111.7 | G1183 H1184 Y1185 K1189 R1190 L1191 | G1183-D1187 VanDerWaalsContact O-CB 3.25Å; G1183-D1187 WeakPolarHBondContact O-CB 3.29Å; G1183-D1187 PolarHBondContact O-N 3.38Å; H1184-D1187 PolarHBondContact O-N 3.44Å; Y1185-D1187 VanDerWaalsContact C-N 3.31Å; Y1185-D1187 PolarHBondContact O-N 2.85Å; D1187-K1189 PolarHBondContact O-N 3.12Å; D1187-R1190 PolarHBondContact O-N 2.99Å; D1187-R1190 IonicContact OD1-CZ 3.4Å; D1187-R1190 IonicContact OD1-NE 2.65Å; D1187-R1190 IonicContact OD1-NH2 3.01Å; D1187-R1190 PolarHBondContact OD1-NH2 3.25Å; D1187-L1191 VanDerWaalsContact O-CB 3.3Å; D1187-L1191 WeakPolarHBondContact O-CB 3.19Å; D1187-L1191 WeakPolarHBondContact O-CG 3.41Å; D1187-L1191 PolarHBondContact O-N 2.95Å; D1187-L1191 WeakPolarHBondContact OD2-CD1 3.29Å |
| 1188 | Q | 97.4 | Very high | 96.9 | Very high | 22 Ų | 22 | 71 Ų | 71 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.7 | -36.7 | 179.4 | -64.2 | -55.2 | -70.3 | 0 | 0 | 113 | I1023 T1026 H1184 Y1185 N1192 Q1193 | I1023-Q1188 HydrophobicContact CB-CG 4.17Å; I1023-Q1188 HydrophobicContact CG1-CG 3.85Å; I1023-Q1188 HydrophobicContact CG2-CG 3.89Å; T1026-Q1188 HydrophobicContact CG2-CB 3.69Å; H1184-Q1188 VanDerWaalsContact O-CG 3.24Å; H1184-Q1188 WeakPolarHBondContact O-CG 3.21Å; H1184-Q1188 PolarHBondContact O-N 3.16Å; Y1185-Q1188 PolarHBondContact O-N 2.82Å; Q1188-N1192 PolarHBondContact O-N 3.27Å; Q1188-Q1193 PolarHBondContact O-N 2.84Å |
| 1189 | K | 96.3 | Very high | 96.7 | Very high | 80 Ų | 80 | 72.4 Ų | 72.4 | 35% | 0.348 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 171.7 | -73 | -64.3 | -173 | -173 | 0 | 111.2 | T1026 K1030 Y1185 L1186 D1187 L1191 N1192 | T1026-K1189 HydrophobicContact CG2-CD 4.15Å; T1026-K1189 HydrophobicContact CG2-CG 3.91Å; K1030-K1189 PolarHBondContact O-NZ 3.44Å; Y1185-K1189 HydrophobicContact CD2-CG 4.48Å; Y1185-K1189 HydrophobicContact CE1-CG 4.03Å; Y1185-K1189 HydrophobicContact CE2-CD 4.43Å; Y1185-K1189 HydrophobicContact CE2-CG 4.01Å; Y1185-K1189 WeakPolarHBondContact O-CG 3.32Å; Y1185-K1189 PolarHBondContact O-N 2.83Å; Y1185-K1189 WeakPolarHBondContact OH-CE 3.48Å; L1186-K1189 PolarHBondContact O-N 3.21Å; D1187-K1189 PolarHBondContact O-N 3.12Å; K1189-L1191 VanDerWaalsContact C-N 3.32Å; K1189-L1191 PolarHBondContact O-N 3.12Å; K1189-N1192 PolarHBondContact O-N 2.9Å; K1189-N1192 VanDerWaalsContact O-N 3.11Å; K1189-N1192 PolarHBondContact O-OD1 2.81Å |
| 1190 | R | 97.1 | Very high | 96.5 | Very high | 176 Ų | 176 | 75.5 Ų | 75.5 | 66% | 0.664 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.9 | -37.1 | 178.2 | -175.5 | -175.5 | 64.4 | 84.9 | 5 | 112.4 | L1186 D1187 N1192 | L1186-R1190 WeakPolarHBondContact O-CB 3.37Å; L1186-R1190 PolarHBondContact O-N 3.37Å; D1187-R1190 PolarHBondContact O-N 2.99Å; D1187-R1190 IonicContact OD1-CZ 3.4Å; D1187-R1190 IonicContact OD1-NE 2.65Å; D1187-R1190 IonicContact OD1-NH2 3.01Å; D1187-R1190 PolarHBondContact OD1-NH2 3.25Å; R1190-N1192 PolarHBondContact O-N 3.26Å |
| 1191 | L | 97.1 | Very high | 96.3 | Very high | 75 Ų | 75 | 83.5 Ų | 83.5 | 39% | 0.393 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -0.9 | 176.7 | -69.3 | 175.1 | 0 | 0 | 0 | 113.6 | D1187 K1189 Q1193 | D1187-L1191 VanDerWaalsContact O-CB 3.3Å; D1187-L1191 WeakPolarHBondContact O-CB 3.19Å; D1187-L1191 WeakPolarHBondContact O-CG 3.41Å; D1187-L1191 PolarHBondContact O-N 2.95Å; D1187-L1191 WeakPolarHBondContact OD2-CD1 3.29Å; K1189-L1191 VanDerWaalsContact C-N 3.32Å; K1189-L1191 PolarHBondContact O-N 3.12Å; L1191-Q1193 HydrophobicContact CB-CG 3.76Å; L1191-Q1193 PolarHBondContact O-N 3.22Å; L1191-Q1193 VanDerWaalsContact O-N 3.16Å; L1191-Q1193 PolarHBondContact O-NE2 2.85Å |
| 1192 | N | 95.5 | Very high | 96 | Very high | 148 Ų | 148 | 88.6 Ų | 88.6 | 79% | 0.791 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 40.7 | -176.9 | -68.7 | -43.2 | 0 | 0 | 0 | 113.1 | Q1188 K1189 R1190 G1194 | Q1188-N1192 PolarHBondContact O-N 3.27Å; K1189-N1192 PolarHBondContact O-N 2.9Å; K1189-N1192 VanDerWaalsContact O-N 3.11Å; K1189-N1192 PolarHBondContact O-OD1 2.81Å; R1190-N1192 PolarHBondContact O-N 3.26Å; N1192-G1194 PolarHBondContact O-N 3.44Å |
| 1193 | Q | 95.2 | Very high | 95.8 | Very high | 86 Ų | 86 | 88.9 Ų | 88.9 | 40% | 0.402 | 44% | 0.435 | S | S | . | . | trans | -72.6 | 122.6 | -177.2 | -68.9 | -67.2 | -56.4 | 0 | 0 | 110.8 | R1027 Q1188 L1191 | R1027-Q1193 HydrophobicContact CG-CB 3.75Å; Q1188-Q1193 PolarHBondContact O-N 2.84Å; L1191-Q1193 HydrophobicContact CB-CG 3.76Å; L1191-Q1193 PolarHBondContact O-N 3.22Å; L1191-Q1193 VanDerWaalsContact O-N 3.16Å; L1191-Q1193 PolarHBondContact O-NE2 2.85Å | ||
| 1194 | G | 95.2 | Very high | 95.5 | Very high | 47 Ų | 47 | 91.9 Ų | 91.9 | 49% | 0.485 | 45% | 0.45 | S | S | . | . | trans | -73.7 | 174.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1027 N1192 Y1196 | R1027-G1194 WeakPolarHBondContact CB-O 3.45Å; R1027-G1194 PolarHBondContact NE-O 3.47Å; R1027-G1194 PolarHBondContact NH2-O 3.12Å; R1027-G1194 VanDerWaalsContact NH2-O 3.1Å; N1192-G1194 PolarHBondContact O-N 3.44Å; G1194-Y1196 PolarHBondContact O-N 3.21Å | ||
| 1195 | L | 97.2 | Very high | 94.9 | Very high | 132 Ų | 132 | 97.1 Ų | 97.1 | 69% | 0.691 | 47% | 0.47 | S | S | * | . | trans | -46.6 | 129.4 | -179 | -179.6 | 65.6 | 0 | 0 | 0 | 112.2 | R1027 A1028 | R1027-L1195 VanDerWaalsContact O-CA 3.25Å; R1027-L1195 WeakPolarHBondContact O-CA 3.21Å; R1027-L1195 PolarHBondContact O-N 3.28Å; A1028-L1195 HydrophobicContact CB-CD1 3.78Å | ||
| 1196 | Y | 95.9 | Very high | 94.5 | Very high | 65 Ų | 65 | 103.6 Ų | 103.6 | 26% | 0.255 | 50% | 0.503 | S | S | . | . | trans | -86.3 | 132.6 | 173.8 | -177.7 | -112.2 | 0 | 0 | 0 | 110.6 | V1024 G1194 H1198 | V1024-Y1196 HydrophobicContact CG1-CD1 4.3Å; V1024-Y1196 HydrophobicContact CG2-CD1 3.64Å; V1024-Y1196 HydrophobicContact CG2-CE1 4.2Å; V1024-Y1196 HydrophobicContact CG2-CG 4.34Å; G1194-Y1196 PolarHBondContact O-N 3.21Å; Y1196-H1198 HydrophobicContact CE1-CB 4.17Å; Y1196-H1198 AromaticContact CE1-ND1 3.91Å; Y1196-H1198 AromaticContact CZ-ND1 3.74Å; Y1196-H1198 PolarHBondContact OH-ND1 3.32Å | ||
| 1197 | R | 95.4 | Very high | 93.8 | Very high | 164 Ų | 164 | 105.4 Ų | 105.4 | 62% | 0.619 | 51% | 0.513 | S | S | * | . | trans | -129.2 | 122.3 | 168.9 | -172.1 | 174.4 | -171.5 | -83.9 | 1.3 | 107.7 | W1200 | R1197-W1200 VanDerWaalsContact NH1-NE1 3.16Å; R1197-W1200 VanDerWaalsContact NH2-CE2 3.26Å | ||
| 1198 | H | 94.2 | Very high | 93.2 | Very high | 78 Ų | 78 | 108.7 Ų | 108.7 | 36% | 0.361 | 54% | 0.536 | S | S | . | . | trans | -63.5 | 137.7 | -176.6 | -159.4 | 65.4 | 0 | 0 | 0 | 110.6 | Y1196 D1202 | Y1196-H1198 HydrophobicContact CE1-CB 4.17Å; Y1196-H1198 AromaticContact CE1-ND1 3.91Å; Y1196-H1198 AromaticContact CZ-ND1 3.74Å; Y1196-H1198 PolarHBondContact OH-ND1 3.32Å; H1198-D1202 IonicContact CE1-OD2 3.89Å; H1198-D1202 VanDerWaalsContact NE2-CB 3.34Å; H1198-D1202 WeakPolarHBondContact NE2-CB 3.34Å; H1198-D1202 IonicContact NE2-OD2 3.9Å | ||
| 1199 | P | 93 | Very high | 92.4 | Very high | 48 Ų | 48 | 117.1 Ų | 117.1 | 31% | 0.312 | 57% | 0.573 | S | S | . | * | trans | -58.3 | 137.4 | 178.2 | -23.8 | 34.7 | 0 | 0 | 0 | 111.6 | E1201 D1202 | P1199-E1201 HydrophobicContact CB-CG 3.92Å; P1199-E1201 PolarHBondContact O-N 3.24Å; P1199-D1202 PolarHBondContact O-N 3.41Å | ||
| 1200 | W | 93.1 | Very high | 91.1 | Very high | 164 Ų | 164 | 124.5 Ų | 124.5 | 62% | 0.621 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -66.1 | -27.1 | 179 | -74.4 | -36.2 | 0 | 0 | 0 | 113.3 | R1197 D1202 I1203 | R1197-W1200 VanDerWaalsContact NH1-NE1 3.16Å; R1197-W1200 VanDerWaalsContact NH2-CE2 3.26Å; W1200-D1202 VanDerWaalsContact C-N 3.25Å; W1200-D1202 PolarHBondContact O-N 3.28Å; W1200-I1203 PolarHBondContact O-N 3.35Å |
| 1201 | E | 93.9 | Very high | 89.3 | Confident | 176 Ų | 176 | 125.1 Ų | 125.1 | 82% | 0.822 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -68.1 | -22.2 | 177.6 | 60.2 | -164.8 | 178.3 | 0 | 0 | 113.6 | P1199 I1203 | P1199-E1201 HydrophobicContact CB-CG 3.92Å; P1199-E1201 PolarHBondContact O-N 3.24Å; E1201-I1203 VanDerWaalsContact C-N 3.32Å |
| 1202 | D | 92.2 | Very high | 88.9 | Confident | 107 Ų | 107 | 127.7 Ų | 127.7 | 57% | 0.572 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -85.7 | -3.1 | 176.2 | -71.1 | -23 | 0 | 0 | 0 | 112.8 | H1198 P1199 W1200 | H1198-D1202 IonicContact CE1-OD2 3.89Å; H1198-D1202 VanDerWaalsContact NE2-CB 3.34Å; H1198-D1202 WeakPolarHBondContact NE2-CB 3.34Å; H1198-D1202 IonicContact NE2-OD2 3.9Å; P1199-D1202 PolarHBondContact O-N 3.41Å; W1200-D1202 VanDerWaalsContact C-N 3.25Å; W1200-D1202 PolarHBondContact O-N 3.28Å |
| 1203 | I | 93 | Very high | 88.5 | Confident | 63 Ų | 63 | 126.6 Ų | 126.6 | 32% | 0.323 | 63% | 0.631 | S | S | . | * | trans | -114.3 | 117.9 | -175.7 | -54.2 | 171.6 | 0 | 0 | 0 | 110.2 | W1200 E1201 Y1205 | W1200-I1203 PolarHBondContact O-N 3.35Å; E1201-I1203 VanDerWaalsContact C-N 3.32Å; I1203-Y1205 HydrophobicContact CB-CD2 4.11Å; I1203-Y1205 HydrophobicContact CB-CE2 3.57Å; I1203-Y1205 HydrophobicContact CD1-CE2 4.41Å; I1203-Y1205 HydrophobicContact CG2-CD1 4.43Å; I1203-Y1205 HydrophobicContact CG2-CD2 3.89Å; I1203-Y1205 HydrophobicContact CG2-CE1 4.13Å; I1203-Y1205 HydrophobicContact CG2-CE2 3.57Å; I1203-Y1205 HydrophobicContact CG2-CG 4.31Å; I1203-Y1205 VanDerWaalsContact O-CD2 3.24Å; I1203-Y1205 WeakPolarHBondContact O-CD2 3.24Å; I1203-Y1205 PolarHBondContact O-N 3.03Å | ||
| 1204 | S | 91 | Very high | 88.1 | Confident | 100 Ų | 100 | 128.8 Ų | 128.8 | 70% | 0.699 | 64% | 0.644 | S | S | * | * | trans | -82.1 | 96.2 | 172.7 | -164.3 | 0 | 0 | 0 | 0 | 110.9 | M1206 | S1204-M1206 PolarHBondContact O-N 3.2Š| ||
| 1205 | Y | 86.9 | Confident | 87.7 | Confident | 131 Ų | 131 | 133.6 Ų | 133.6 | 51% | 0.514 | 65% | 0.653 | S | S | . | * | trans | -76.4 | 82.3 | 178.2 | -69.8 | -89.6 | 0 | 0 | 0 | 112.2 | I1203 L1207 | I1203-Y1205 HydrophobicContact CB-CD2 4.11Å; I1203-Y1205 HydrophobicContact CB-CE2 3.57Å; I1203-Y1205 HydrophobicContact CD1-CE2 4.41Å; I1203-Y1205 HydrophobicContact CG2-CD1 4.43Å; I1203-Y1205 HydrophobicContact CG2-CD2 3.89Å; I1203-Y1205 HydrophobicContact CG2-CE1 4.13Å; I1203-Y1205 HydrophobicContact CG2-CE2 3.57Å; I1203-Y1205 HydrophobicContact CG2-CG 4.31Å; I1203-Y1205 VanDerWaalsContact O-CD2 3.24Å; I1203-Y1205 WeakPolarHBondContact O-CD2 3.24Å; I1203-Y1205 PolarHBondContact O-N 3.03Å; Y1205-L1207 VanDerWaalsContact C-N 3.25Å; Y1205-L1207 PolarHBondContact O-N 3.1Å; Y1205-L1207 VanDerWaalsContact O-N 3.1Å | ||
| 1206 | M | 88.1 | Confident | 87.1 | Confident | 169 Ų | 169 | 133.8 Ų | 133.8 | 83% | 0.833 | 65% | 0.651 | S | S | * | * | trans | -85.3 | 64.2 | 172.3 | -63.4 | -172.2 | -65.9 | 0 | 0 | 111.2 | S1204 | S1204-M1206 PolarHBondContact O-N 3.2Š| ||
| 1207 | L | 84.6 | Confident | 86.5 | Confident | 136 Ų | 136 | 138.3 Ų | 138.3 | 71% | 0.712 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 139.8 | 177.3 | -66.9 | 164.1 | 0 | 0 | 0 | 110.1 | Y1205 K1209 | Y1205-L1207 VanDerWaalsContact C-N 3.25Å; Y1205-L1207 PolarHBondContact O-N 3.1Å; Y1205-L1207 VanDerWaalsContact O-N 3.1Å; L1207-K1209 PolarHBondContact O-N 3.37Å |
| 1208 | P | 85.5 | Confident | 85.9 | Confident | 115 Ų | 115 | 136.5 Ų | 136.5 | 75% | 0.747 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 137.7 | 170.7 | 21.7 | -28.1 | 0 | 0 | 0 | 109.6 | Y1210 | P1208-Y1210 PolarHBondContact O-N 3.44Š|
| 1209 | K | 80.1 | Confident | 85.3 | Confident | 200 Ų | 200 | 141 Ų | 141 | 87% | 0.87 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 133.2 | 163.8 | -73.6 | -179.5 | 177.5 | 178.6 | 0 | 106.1 | L1207 | L1207-K1209 PolarHBondContact O-N 3.37Š|
| 1210 | Y | 68 | Low | 84.6 | Confident | 234 Ų | 234 | 148.8 Ų | 148.8 | 92% | 0.918 | 74% | 0.739 | S | S | * | * | trans | -31.4 | 143.7 | 178.6 | -104.2 | -99.8 | 0 | 0 | 0 | 112.9 | P1208 | P1208-Y1210 PolarHBondContact O-N 3.44Š| ||
| 1211 | P | 59.1 | Low | 83.9 | Confident | 190 Ų | 190 | 147.4 Ų | 147.4 | 100% | 1.234 | 75% | 0.749 | S | S | * | * | trans | -43.2 | 0 | -140.9 | 21.1 | -33.8 | 0 | 0 | 0 | 117.6 |
Retrieved 1,211 of 1,211 residues in 605.2 ms
(Link to these results)