| 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 | 86.6 | Confident | 95.1 | Very high | 115 Ų | 115 | 60 Ų | 60 | 57% | 0.567 | 31% | 0.305 | S | S | * | . | 0 | 120.8 | 0 | -166.7 | 176.1 | -72.6 | 0 | 0 | 108.5 | E5 K6 L9 | M1-E5 WeakPolarHBondContact CA-OE2 3.41Å; M1-E5 HydrophobicContact CG-CB 3.32Å; M1-E5 HydrophobicContact CG-CG 4.36Å; M1-E5 VanDerWaalsContact CG-OE2 3.31Å; M1-E5 WeakPolarHBondContact CG-OE2 3.48Å; M1-E5 HydrophobicContact SD-CB 4.13Å; M1-K6 HydrophobicContact CB-CG 4.13Å; M1-K6 HydrophobicContact CG-CG 3.74Å; M1-K6 HydrophobicContact SD-CB 4.28Å; M1-K6 HydrophobicContact SD-CG 3.6Å; M1-K6 VanDerWaalsContact SD-CG 3.6Å; M1-L9 HydrophobicContact CE-CD1 3.33Å; M1-L9 HydrophobicContact SD-CD1 3.59Å; M1-L9 VanDerWaalsContact SD-CD1 3.59Å | |||
| 2 | L | 93.8 | Very high | 95 | Very high | 127 Ų | 127 | 62.4 Ų | 62.4 | 67% | 0.665 | 31% | 0.307 | S | S | * | . | trans | -65.1 | 159.5 | 176.4 | -63 | 172.4 | 0 | 0 | 0 | 110.5 | E4 E5 K6 | L2-E4 PolarHBondContact O-N 3.25Å; L2-E5 HydrophobicContact CB-CG 4.24Å; L2-E5 PolarHBondContact N-OE2 3.47Å; L2-E5 PolarHBondContact O-N 2.89Å; L2-K6 PolarHBondContact O-N 3.11Å | ||
| 3 | A | 94.9 | Very high | 94.8 | Very high | 36 Ų | 36 | 61.8 Ų | 61.8 | 30% | 0.298 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.6 | -39.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | K6 F7 L27 E28 | A3-K6 PolarHBondContact O-N 3.05Å; A3-F7 WeakPolarHBondContact O-CB 3.1Å; A3-F7 PolarHBondContact O-N 2.78Å; A3-L27 HydrophobicContact CB-CB 4.29Å; A3-E28 HydrophobicContact CB-CG 4.4Å |
| 4 | E | 95.8 | Very high | 94.9 | Very high | 89 Ų | 89 | 59.4 Ų | 59.4 | 42% | 0.416 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.6 | -40.7 | 178.3 | -172.7 | 55.5 | -147.3 | 0 | 0 | 112.5 | L2 K6 F7 Q8 R24 | L2-E4 PolarHBondContact O-N 3.25Å; E4-K6 VanDerWaalsContact C-N 3.32Å; E4-K6 PolarHBondContact O-N 3.27Å; E4-F7 WeakPolarHBondContact O-CB 2.94Å; E4-F7 PolarHBondContact O-N 2.87Å; E4-F7 VanDerWaalsContact O-N 3.17Å; E4-Q8 WeakPolarHBondContact O-CG 3.49Å; E4-Q8 PolarHBondContact O-N 3.19Å; E4-Q8 PolarHBondContact OE1-NE2 3.14Å; E4-R24 IonicContact OE1-NH1 2.71Å; E4-R24 IonicContact OE2-CZ 2.73Å; E4-R24 IonicContact OE2-NH1 3.7Å; E4-R24 PolarHBondContact OE2-NH1 2.8Å |
| 5 | E | 95.8 | Very high | 94.9 | Very high | 101 Ų | 101 | 59.4 Ų | 59.4 | 47% | 0.472 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 175.4 | -65.7 | 173.7 | 149.7 | 0 | 0 | 111.4 | M1 L2 L9 | M1-E5 WeakPolarHBondContact CA-OE2 3.41Å; M1-E5 HydrophobicContact CG-CB 3.32Å; M1-E5 HydrophobicContact CG-CG 4.36Å; M1-E5 VanDerWaalsContact CG-OE2 3.31Å; M1-E5 WeakPolarHBondContact CG-OE2 3.48Å; M1-E5 HydrophobicContact SD-CB 4.13Å; L2-E5 HydrophobicContact CB-CG 4.24Å; L2-E5 PolarHBondContact N-OE2 3.47Å; L2-E5 PolarHBondContact O-N 2.89Å; E5-L9 PolarHBondContact O-N 2.87Å |
| 6 | K | 97 | Very high | 95.1 | Very high | 28 Ų | 28 | 58.8 Ų | 58.8 | 12% | 0.122 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 172.9 | -69.4 | -176.9 | -176.7 | 178.9 | 0 | 110.9 | M1 L2 A3 E4 Q8 L9 I10 L27 N31 A61 | M1-K6 HydrophobicContact CB-CG 4.13Å; M1-K6 HydrophobicContact CG-CG 3.74Å; M1-K6 HydrophobicContact SD-CB 4.28Å; M1-K6 HydrophobicContact SD-CG 3.6Å; M1-K6 VanDerWaalsContact SD-CG 3.6Å; L2-K6 PolarHBondContact O-N 3.11Å; A3-K6 PolarHBondContact O-N 3.05Å; E4-K6 VanDerWaalsContact C-N 3.32Å; E4-K6 PolarHBondContact O-N 3.27Å; K6-Q8 PolarHBondContact O-N 3.19Å; K6-L9 PolarHBondContact O-N 3.47Å; K6-I10 HydrophobicContact CB-CD1 4.46Å; K6-I10 WeakPolarHBondContact O-CB 3.38Å; K6-I10 WeakPolarHBondContact O-CD1 3.31Å; K6-I10 WeakPolarHBondContact O-CG1 3.38Å; K6-I10 PolarHBondContact O-N 3.08Å; K6-L27 HydrophobicContact CB-CD1 4.32Å; K6-L27 HydrophobicContact CB-CD2 4.25Å; K6-L27 HydrophobicContact CD-CD2 4.3Å; K6-N31 PolarHBondContact NZ-OD1 3.42Å; K6-A61 HydrophobicContact CB-CB 4.3Å; K6-A61 WeakPolarHBondContact CD-O 3.36Å; K6-A61 HydrophobicContact CG-CB 4.37Å |
| 7 | F | 97.9 | Very high | 95.3 | Very high | 11 Ų | 11 | 57.5 Ų | 57.5 | 5% | 0.048 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.5 | -50.5 | 178.5 | 179.9 | -90.1 | 0 | 0 | 0 | 110.9 | A3 E4 L9 I10 T11 E20 L23 R24 L27 | A3-F7 WeakPolarHBondContact O-CB 3.1Å; A3-F7 PolarHBondContact O-N 2.78Å; E4-F7 WeakPolarHBondContact O-CB 2.94Å; E4-F7 PolarHBondContact O-N 2.87Å; E4-F7 VanDerWaalsContact O-N 3.17Å; F7-L9 PolarHBondContact O-N 3.39Å; F7-I10 PolarHBondContact O-N 3.43Å; F7-I10 VanDerWaalsContact O-N 3.14Å; F7-T11 HydrophobicContact CD1-CG2 4.44Å; F7-T11 HydrophobicContact CD2-CG2 4.2Å; F7-T11 HydrophobicContact CE1-CG2 4.04Å; F7-T11 HydrophobicContact CE2-CG2 3.82Å; F7-T11 HydrophobicContact CG-CG2 4.5Å; F7-T11 HydrophobicContact CZ-CG2 3.72Å; F7-T11 WeakPolarHBondContact O-CG2 3.44Å; F7-T11 PolarHBondContact O-N 3.23Å; F7-T11 PolarHBondContact O-OG1 2.7Å; F7-E20 HydrophobicContact CE2-CG 3.59Å; F7-E20 HydrophobicContact CZ-CG 3.59Å; F7-E20 WeakPolarHBondContact CZ-OE1 3.18Å; F7-L23 HydrophobicContact CD2-CD2 3.94Å; F7-L23 HydrophobicContact CD2-CG 4.14Å; F7-L23 HydrophobicContact CE2-CD2 3.84Å; F7-L23 HydrophobicContact CE2-CG 4.3Å; F7-R24 HydrophobicContact CD2-CG 3.78Å; F7-R24 HydrophobicContact CE2-CG 3.79Å; F7-L27 HydrophobicContact CB-CD1 3.9Å; F7-L27 HydrophobicContact CD2-CD1 4.29Å |
| 8 | Q | 96.1 | Very high | 95.4 | Very high | 99 Ų | 99 | 55.9 Ų | 55.9 | 46% | 0.463 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 178.3 | -66.2 | -59.2 | -32.4 | 0 | 0 | 112.2 | E4 K6 R12 | E4-Q8 WeakPolarHBondContact O-CG 3.49Å; E4-Q8 PolarHBondContact O-N 3.19Å; E4-Q8 PolarHBondContact OE1-NE2 3.14Å; K6-Q8 PolarHBondContact O-N 3.19Å; Q8-R12 WeakPolarHBondContact O-CB 3.36Å; Q8-R12 WeakPolarHBondContact O-CG 3.31Å; Q8-R12 PolarHBondContact O-N 3.06Å |
| 9 | L | 94 | Very high | 95.5 | Very high | 31 Ų | 31 | 54.9 Ų | 54.9 | 16% | 0.162 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66 | -38.2 | 174.6 | -77.7 | -178 | 0 | 0 | 0 | 112.8 | M1 E5 K6 F7 K54 D57 K60 A61 | M1-L9 HydrophobicContact CE-CD1 3.33Å; M1-L9 HydrophobicContact SD-CD1 3.59Å; M1-L9 VanDerWaalsContact SD-CD1 3.59Å; E5-L9 PolarHBondContact O-N 2.87Å; K6-L9 PolarHBondContact O-N 3.47Å; F7-L9 PolarHBondContact O-N 3.39Å; L9-K54 PolarHBondContact O-NZ 3.26Å; L9-D57 WeakPolarHBondContact O-CB 3.49Å; L9-K60 HydrophobicContact CD1-CB 4.29Å; L9-A61 HydrophobicContact CB-CB 4.19Å |
| 10 | I | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.3 | -43.6 | 179.2 | -71.4 | 162.7 | 0 | 0 | 0 | 110.4 | K6 F7 L23 L27 L32 K54 F58 A61 L206 | K6-I10 HydrophobicContact CB-CD1 4.46Å; K6-I10 WeakPolarHBondContact O-CB 3.38Å; K6-I10 WeakPolarHBondContact O-CD1 3.31Å; K6-I10 WeakPolarHBondContact O-CG1 3.38Å; K6-I10 PolarHBondContact O-N 3.08Å; F7-I10 PolarHBondContact O-N 3.43Å; F7-I10 VanDerWaalsContact O-N 3.14Å; I10-L23 HydrophobicContact CD1-CD1 4.46Å; I10-L23 HydrophobicContact CG2-CD2 4.08Å; I10-L27 HydrophobicContact CD1-CD1 3.93Å; I10-L27 HydrophobicContact CD1-CD2 3.75Å; I10-L27 HydrophobicContact CD1-CG 4.45Å; I10-L32 HydrophobicContact CD1-CD2 4.33Å; I10-K54 VanDerWaalsContact O-CE 3.27Å; I10-K54 WeakPolarHBondContact O-CE 3.47Å; I10-K54 PolarHBondContact O-NZ 2.86Å; I10-F58 HydrophobicContact CB-CD1 4.44Å; I10-F58 HydrophobicContact CB-CE1 4.45Å; I10-F58 HydrophobicContact CG1-CD1 4.17Å; I10-F58 HydrophobicContact CG2-CD1 4.27Å; I10-F58 HydrophobicContact CG2-CE1 3.92Å; I10-A61 HydrophobicContact CD1-CB 4.19Å; I10-A61 HydrophobicContact CG1-CB 3.86Å; I10-L206 HydrophobicContact CG2-CD1 3.77Å; I10-L206 HydrophobicContact CG2-CD2 4.46Å |
| 11 | T | 97.3 | Very high | 95.7 | Very high | 23 Ų | 23 | 62.1 Ų | 62.1 | 14% | 0.141 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -93.8 | -16.8 | -170.3 | 62.1 | 0 | 0 | 0 | 0 | 114.8 | F7 N13 L14 V17 L23 | F7-T11 HydrophobicContact CD1-CG2 4.44Å; F7-T11 HydrophobicContact CD2-CG2 4.2Å; F7-T11 HydrophobicContact CE1-CG2 4.04Å; F7-T11 HydrophobicContact CE2-CG2 3.82Å; F7-T11 HydrophobicContact CG-CG2 4.5Å; F7-T11 HydrophobicContact CZ-CG2 3.72Å; F7-T11 WeakPolarHBondContact O-CG2 3.44Å; F7-T11 PolarHBondContact O-N 3.23Å; F7-T11 PolarHBondContact O-OG1 2.7Å; T11-N13 PolarHBondContact O-N 2.94Å; T11-L14 WeakPolarHBondContact O-CB 3.46Å; T11-L14 WeakPolarHBondContact O-CG 3.29Å; T11-L14 PolarHBondContact O-N 3.34Å; T11-L14 VanDerWaalsContact O-N 3.17Å; T11-V17 HydrophobicContact CG2-CG2 3.97Å; T11-L23 HydrophobicContact CG2-CD2 3.95Å |
| 12 | R | 93.8 | Very high | 96.2 | Very high | 89 Ų | 89 | 59.4 Ų | 59.4 | 34% | 0.336 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 140.1 | 176.4 | 70.9 | -177.3 | -169.6 | 166.4 | 4.8 | 111.3 | Q8 L14 K54 D57 | Q8-R12 WeakPolarHBondContact O-CB 3.36Å; Q8-R12 WeakPolarHBondContact O-CG 3.31Å; Q8-R12 PolarHBondContact O-N 3.06Å; R12-L14 PolarHBondContact O-N 3.11Å; R12-K54 PolarHBondContact O-NZ 3.26Å; R12-D57 IonicContact CZ-OD1 2.69Å; R12-D57 IonicContact CZ-OD2 3.21Å; R12-D57 IonicContact NE-OD1 2.65Å; R12-D57 IonicContact NE-OD2 2.64Å; R12-D57 PolarHBondContact NE-OD2 3.45Å; R12-D57 VanDerWaalsContact NH2-CG 3.34Å; R12-D57 IonicContact NH2-OD1 3.96Å; R12-D57 PolarHBondContact NH2-OD1 3.48Å; R12-D57 IonicContact NH2-OD2 2.78Å; R12-D57 PolarHBondContact NH2-OD2 3.08Å |
| 13 | N | 92.1 | Very high | 96.4 | Very high | 54 Ų | 54 | 53.3 Ų | 53.3 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 8.3 | -179.8 | -65.6 | -29.4 | 0 | 0 | 0 | 115.7 | T11 P209 Y262 | T11-N13 PolarHBondContact O-N 2.94Å; N13-P209 VanDerWaalsContact O-CD 3.25Å; N13-P209 WeakPolarHBondContact O-CD 3.49Å; N13-Y262 HydrophobicContact CB-CD1 3.9Å; N13-Y262 HydrophobicContact CB-CE1 3.85Å; N13-Y262 WeakPolarHBondContact O-CE1 3.35Å |
| 14 | L | 95.8 | Very high | 96.5 | Very high | 28 Ų | 28 | 55.5 Ų | 55.5 | 15% | 0.147 | 28% | 0.279 | C | S | . | . | trans | -76.7 | 150.2 | 167 | -61.1 | -176.5 | 0 | 0 | 0 | 110.5 | T11 R12 V17 K54 F179 L206 M207 N208 | T11-L14 WeakPolarHBondContact O-CB 3.46Å; T11-L14 WeakPolarHBondContact O-CG 3.29Å; T11-L14 PolarHBondContact O-N 3.34Å; T11-L14 VanDerWaalsContact O-N 3.17Å; R12-L14 PolarHBondContact O-N 3.11Å; L14-V17 HydrophobicContact CB-CG2 4.42Å; L14-V17 HydrophobicContact CD1-CG2 3.79Å; L14-K54 HydrophobicContact CD2-CD 3.84Å; L14-K54 HydrophobicContact CD2-CG 4.03Å; L14-K54 HydrophobicContact CG-CD 4.44Å; L14-F179 HydrophobicContact CD2-CD2 4.27Å; L14-F179 HydrophobicContact CD2-CE2 3.87Å; L14-L206 HydrophobicContact CD1-CB 3.74Å; L14-L206 HydrophobicContact CD1-CD2 3.83Å; L14-L206 HydrophobicContact CD1-CG 4.24Å; L14-M207 CarbonylContact C-O 3.54Å; L14-M207 WeakPolarHBondContact CA-O 3.47Å; L14-N208 HydrophobicContact CD2-CB 4.46Å | ||
| 15 | A | 95.4 | Very high | 96.6 | Very high | 60 Ų | 60 | 55.3 Ų | 55.3 | 50% | 0.496 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -83.1 | -36.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | M207 P209 | A15-M207 PolarHBondContact N-O 3.04Å; A15-P209 HydrophobicContact CB-CB 4.05Å |
| 16 | E | 97.7 | Very high | 96.7 | Very high | 50 Ų | 50 | 51.1 Ų | 51.1 | 23% | 0.234 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 146.6 | -177.1 | -173.6 | 177.1 | -168.2 | 0 | 0 | 110.8 | L18 I182 R185 M207 | E16-L18 HydrophobicContact CG-CD2 4.36Å; E16-I182 HydrophobicContact CB-CD1 4.14Å; E16-I182 WeakPolarHBondContact OE2-CD1 3.24Å; E16-R185 IonicContact OE1-CZ 3.41Å; E16-R185 IonicContact OE1-NE 2.67Å; E16-R185 PolarHBondContact OE1-NE 3Å; E16-R185 IonicContact OE1-NH2 3.46Å; E16-R185 PolarHBondContact OE1-NH2 3.29Å; E16-R185 VanDerWaalsContact OE2-CD 3.31Å; E16-R185 WeakPolarHBondContact OE2-CD 3.39Å; E16-R185 IonicContact OE2-CZ 3.51Å; E16-R185 IonicContact OE2-NE 3.41Å; E16-R185 PolarHBondContact OE2-NE 3.49Å; E16-R185 IonicContact OE2-NH2 3.98Å; E16-M207 HydrophobicContact CB-CB 4.37Å; E16-M207 HydrophobicContact CB-CE 3.79Å; E16-M207 HydrophobicContact CG-CE 3.66Å; E16-M207 PolarHBondContact N-O 2.93Å; E16-M207 PolarHBondContact O-N 2.83Å; E16-M207 WeakPolarHBondContact OE2-CE 3.39Å |
| 17 | V | 98.3 | Very high | 96.7 | Very high | 36 Ų | 36 | 50.2 Ų | 50.2 | 22% | 0.218 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 115.2 | 175.4 | 176.5 | 0 | 0 | 0 | 0 | 108.3 | T11 L14 E20 L206 | T11-V17 HydrophobicContact CG2-CG2 3.97Å; L14-V17 HydrophobicContact CB-CG2 4.42Å; L14-V17 HydrophobicContact CD1-CG2 3.79Å; V17-E20 HydrophobicContact CG1-CB 4.2Å; V17-L206 HydrophobicContact CG1-CD2 3.91Å; V17-L206 HydrophobicContact CG2-CD2 4.13Å |
| 18 | L | 98.1 | Very high | 96.7 | Very high | 30 Ų | 30 | 56.4 Ų | 56.4 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 128.7 | 170.3 | -57.4 | 176.2 | 0 | 0 | 0 | 109.3 | E16 T189 E192 I204 H205 M207 | E16-L18 HydrophobicContact CG-CD2 4.36Å; L18-T189 HydrophobicContact CD1-CG2 4.18Å; L18-E192 WeakPolarHBondContact CB-OE1 3.35Å; L18-I204 WeakPolarHBondContact O-CA 3.19Å; L18-I204 WeakPolarHBondContact O-CG2 3.36Å; L18-H205 HydrophobicContact CB-CB 4.1Å; L18-H205 HydrophobicContact CD1-CB 4.27Å; L18-H205 HydrophobicContact CG-CB 4.49Å; L18-H205 PolarHBondContact N-O 2.78Å; L18-H205 PolarHBondContact O-N 3.02Å; L18-M207 HydrophobicContact CD1-CE 3.77Å; L18-M207 HydrophobicContact CG-CE 3.68Å |
| 19 | G | 97.4 | Very high | 96.7 | Very high | 37 Ų | 37 | 60.5 Ų | 60.5 | 38% | 0.381 | 30% | 0.295 | S | S | . | . | trans | 89.7 | 27.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q21 K22 L23 | G19-Q21 VanDerWaalsContact C-N 3.31Å; G19-Q21 PolarHBondContact O-N 3.08Å; G19-K22 WeakPolarHBondContact O-CB 3.28Å; G19-K22 PolarHBondContact O-N 3.29Å; G19-L23 PolarHBondContact O-N 3.01Å | ||
| 20 | E | 97.4 | Very high | 96.9 | Very high | 87 Ų | 87 | 64.1 Ų | 64.1 | 41% | 0.407 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -50.7 | -44.4 | -178 | -167.1 | -172.3 | 141.5 | 0 | 0 | 113.8 | F7 V17 K22 L23 R24 | F7-E20 HydrophobicContact CE2-CG 3.59Å; F7-E20 HydrophobicContact CZ-CG 3.59Å; F7-E20 WeakPolarHBondContact CZ-OE1 3.18Å; V17-E20 HydrophobicContact CG1-CB 4.2Å; E20-K22 PolarHBondContact O-N 3.11Å; E20-L23 WeakPolarHBondContact O-CB 3.39Å; E20-L23 PolarHBondContact O-N 3.22Å; E20-R24 PolarHBondContact O-N 2.72Å; E20-R24 IonicContact OE1-CZ 3.38Å; E20-R24 IonicContact OE1-NE 3.5Å; E20-R24 PolarHBondContact OE1-NE 2.92Å; E20-R24 IonicContact OE1-NH2 2.79Å; E20-R24 PolarHBondContact OE1-NH2 3.35Å; E20-R24 VanDerWaalsContact OE1-NH2 3.08Å |
| 21 | Q | 96.8 | Very high | 96.8 | Very high | 174 Ų | 174 | 66.1 Ų | 66.1 | 81% | 0.813 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.2 | -41.5 | 178.8 | -67.9 | 178.2 | -6.5 | 0 | 0 | 112.2 | G19 L23 R24 H25 | G19-Q21 VanDerWaalsContact C-N 3.31Å; G19-Q21 PolarHBondContact O-N 3.08Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-R24 PolarHBondContact O-N 2.84Å; Q21-H25 WeakPolarHBondContact O-CB 3.42Å; Q21-H25 PolarHBondContact O-N 3.44Å; Q21-H25 VanDerWaalsContact O-N 3.1Å |
| 22 | K | 97.5 | Very high | 96.9 | Very high | 57 Ų | 57 | 65 Ų | 65 | 25% | 0.248 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 175.5 | -173.6 | 174.9 | 178.5 | 170.5 | 0 | 110.4 | G19 E20 H25 I26 E201 K202 I204 | G19-K22 WeakPolarHBondContact O-CB 3.28Å; G19-K22 PolarHBondContact O-N 3.29Å; E20-K22 PolarHBondContact O-N 3.11Å; K22-H25 PolarHBondContact O-N 2.88Å; K22-I26 HydrophobicContact CG-CD1 4.08Å; K22-I26 VanDerWaalsContact O-CG1 3.31Å; K22-I26 WeakPolarHBondContact O-CG1 3.28Å; K22-I26 PolarHBondContact O-N 2.9Å; K22-E201 IonicContact NZ-OE2 3.71Å; K22-E201 PolarHBondContact NZ-OE2 2.91Å; K22-K202 PolarHBondContact NZ-O 2.91Å; K22-I204 HydrophobicContact CB-CD1 4.25Å; K22-I204 HydrophobicContact CB-CG1 4.18Å; K22-I204 HydrophobicContact CD-CG1 4.35Å; K22-I204 HydrophobicContact CG-CD1 4.11Å; K22-I204 HydrophobicContact CG-CG1 4.29Å |
| 23 | L | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.3 | -51.8 | 175.5 | 174.5 | 58.6 | 0 | 0 | 0 | 111.3 | F7 I10 T11 G19 E20 Q21 H25 I26 L27 L32 I204 L206 | F7-L23 HydrophobicContact CD2-CD2 3.94Å; F7-L23 HydrophobicContact CD2-CG 4.14Å; F7-L23 HydrophobicContact CE2-CD2 3.84Å; F7-L23 HydrophobicContact CE2-CG 4.3Å; I10-L23 HydrophobicContact CD1-CD1 4.46Å; I10-L23 HydrophobicContact CG2-CD2 4.08Å; T11-L23 HydrophobicContact CG2-CD2 3.95Å; G19-L23 PolarHBondContact O-N 3.01Å; E20-L23 WeakPolarHBondContact O-CB 3.39Å; E20-L23 PolarHBondContact O-N 3.22Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; L23-H25 PolarHBondContact O-N 3.4Å; L23-I26 PolarHBondContact O-N 3.14Å; L23-L27 HydrophobicContact CD1-CD1 3.86Å; L23-L27 HydrophobicContact CD1-CD2 4.46Å; L23-L27 HydrophobicContact CD1-CG 3.99Å; L23-L27 HydrophobicContact CG-CD1 4.05Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 2.93Å; L23-L32 HydrophobicContact CD1-CD1 3.78Å; L23-L32 HydrophobicContact CD1-CD2 3.65Å; L23-L32 HydrophobicContact CD1-CG 4.24Å; L23-I204 HydrophobicContact CB-CD1 3.85Å; L23-I204 HydrophobicContact CB-CG1 4.45Å; L23-I204 HydrophobicContact CB-CG2 4.4Å; L23-I204 HydrophobicContact CD1-CD1 4.44Å; L23-L206 HydrophobicContact CD2-CD2 4.41Å |
| 24 | R | 97.8 | Very high | 97.4 | Very high | 81 Ų | 81 | 61.6 Ų | 61.6 | 31% | 0.306 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.2 | -48.4 | 179.2 | -70.3 | -179.5 | 177.6 | -78.5 | 3.3 | 111.8 | E4 F7 E20 Q21 I26 L27 E28 | E4-R24 IonicContact OE1-NH1 2.71Å; E4-R24 IonicContact OE2-CZ 2.73Å; E4-R24 IonicContact OE2-NH1 3.7Å; E4-R24 PolarHBondContact OE2-NH1 2.8Å; F7-R24 HydrophobicContact CD2-CG 3.78Å; F7-R24 HydrophobicContact CE2-CG 3.79Å; E20-R24 PolarHBondContact O-N 2.72Å; E20-R24 IonicContact OE1-CZ 3.38Å; E20-R24 IonicContact OE1-NE 3.5Å; E20-R24 PolarHBondContact OE1-NE 2.92Å; E20-R24 IonicContact OE1-NH2 2.79Å; E20-R24 PolarHBondContact OE1-NH2 3.35Å; E20-R24 VanDerWaalsContact OE1-NH2 3.08Å; Q21-R24 PolarHBondContact O-N 2.84Å; R24-I26 VanDerWaalsContact C-N 3.32Å; R24-I26 PolarHBondContact O-N 3.06Å; R24-L27 PolarHBondContact O-N 2.91Å; R24-L27 VanDerWaalsContact O-N 3.14Å; R24-E28 WeakPolarHBondContact O-CG 3.36Å; R24-E28 PolarHBondContact O-N 3.25Å; R24-E28 VanDerWaalsContact O-N 3.13Å |
| 25 | H | 97.2 | Very high | 97.6 | Very high | 85 Ų | 85 | 60.4 Ų | 60.4 | 39% | 0.394 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.6 | -36.7 | 178 | -176.4 | 86.3 | 0 | 0 | 0 | 113.8 | Q21 K22 L23 R29 | Q21-H25 WeakPolarHBondContact O-CB 3.42Å; Q21-H25 PolarHBondContact O-N 3.44Å; Q21-H25 VanDerWaalsContact O-N 3.1Å; K22-H25 PolarHBondContact O-N 2.88Å; L23-H25 PolarHBondContact O-N 3.4Å; H25-R29 PolarHBondContact CE1-NE 3.23Å; H25-R29 PolarHBondContact CE1-NH2 3.25Å; H25-R29 PolarHBondContact NE2-NE 2.87Å; H25-R29 PolarHBondContact NE2-NH1 3.5Å; H25-R29 PolarHBondContact NE2-NH2 2.91Å |
| 26 | I | 97.7 | Very high | 97.7 | Very high | 14 Ų | 14 | 58.4 Ų | 58.4 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.2 | -45.5 | 174.7 | -71.4 | 171.4 | 0 | 0 | 0 | 110.4 | K22 L23 R24 E28 R29 R30 L32 D176 I204 | K22-I26 HydrophobicContact CG-CD1 4.08Å; K22-I26 VanDerWaalsContact O-CG1 3.31Å; K22-I26 WeakPolarHBondContact O-CG1 3.28Å; K22-I26 PolarHBondContact O-N 2.9Å; L23-I26 PolarHBondContact O-N 3.14Å; R24-I26 VanDerWaalsContact C-N 3.32Å; R24-I26 PolarHBondContact O-N 3.06Å; I26-E28 VanDerWaalsContact C-N 3.25Å; I26-E28 PolarHBondContact O-N 3.38Å; I26-R29 PolarHBondContact O-N 3.38Å; I26-R30 HydrophobicContact CG2-CG 4.23Å; I26-R30 PolarHBondContact O-N 3.17Å; I26-L32 HydrophobicContact CD1-CD1 4.25Å; I26-L32 HydrophobicContact CG2-CD1 4.06Å; I26-D176 HydrophobicContact CD1-CB 3.86Å; I26-I204 HydrophobicContact CD1-CD1 3.95Å |
| 27 | L | 97.8 | Very high | 97.7 | Very high | 9 Ų | 9 | 57.5 Ų | 57.5 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.2 | -24.8 | -176.4 | -66.9 | 176.7 | 0 | 0 | 0 | 113.8 | A3 K6 F7 I10 L23 R24 R29 L32 | A3-L27 HydrophobicContact CB-CB 4.29Å; K6-L27 HydrophobicContact CB-CD1 4.32Å; K6-L27 HydrophobicContact CB-CD2 4.25Å; K6-L27 HydrophobicContact CD-CD2 4.3Å; F7-L27 HydrophobicContact CB-CD1 3.9Å; F7-L27 HydrophobicContact CD2-CD1 4.29Å; I10-L27 HydrophobicContact CD1-CD1 3.93Å; I10-L27 HydrophobicContact CD1-CD2 3.75Å; I10-L27 HydrophobicContact CD1-CG 4.45Å; L23-L27 HydrophobicContact CD1-CD1 3.86Å; L23-L27 HydrophobicContact CD1-CD2 4.46Å; L23-L27 HydrophobicContact CD1-CG 3.99Å; L23-L27 HydrophobicContact CG-CD1 4.05Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 2.93Å; R24-L27 PolarHBondContact O-N 2.91Å; R24-L27 VanDerWaalsContact O-N 3.14Å; L27-R29 VanDerWaalsContact C-N 3.27Å; L27-L32 HydrophobicContact CD2-CB 4.21Å |
| 28 | E | 96.8 | Very high | 97.6 | Very high | 140 Ų | 140 | 56 Ų | 56 | 65% | 0.654 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -68.9 | -24.5 | 171 | -71.9 | 171.8 | -175.4 | 0 | 0 | 112.9 | A3 R24 I26 | A3-E28 HydrophobicContact CB-CG 4.4Å; R24-E28 WeakPolarHBondContact O-CG 3.36Å; R24-E28 PolarHBondContact O-N 3.25Å; R24-E28 VanDerWaalsContact O-N 3.13Å; I26-E28 VanDerWaalsContact C-N 3.25Å; I26-E28 PolarHBondContact O-N 3.38Å |
| 29 | R | 96.4 | Very high | 97.2 | Very high | 185 Ų | 185 | 55.6 Ų | 55.6 | 70% | 0.698 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -110.7 | -39.7 | -170.6 | -63.5 | 177.2 | 177.6 | -158.4 | -6.6 | 113.7 | H25 I26 L27 | H25-R29 PolarHBondContact CE1-NE 3.23Å; H25-R29 PolarHBondContact CE1-NH2 3.25Å; H25-R29 PolarHBondContact NE2-NE 2.87Å; H25-R29 PolarHBondContact NE2-NH1 3.5Å; H25-R29 PolarHBondContact NE2-NH2 2.91Å; I26-R29 PolarHBondContact O-N 3.38Å; L27-R29 VanDerWaalsContact C-N 3.27Å |
| 30 | R | 97 | Very high | 96.9 | Very high | 108 Ų | 108 | 53.9 Ų | 53.9 | 41% | 0.408 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -158.7 | 178.6 | -176.4 | 63.1 | 171.8 | 178.7 | 79.5 | -3.3 | 112.1 | I26 D176 | I26-R30 HydrophobicContact CG2-CG 4.23Å; I26-R30 PolarHBondContact O-N 3.17Å; R30-D176 IonicContact CZ-OD1 3.06Å; R30-D176 IonicContact CZ-OD2 2.7Å; R30-D176 IonicContact NH1-OD1 3.37Å; R30-D176 IonicContact NH1-OD2 3.95Å; R30-D176 PolarHBondContact NH1-OD2 3.5Å; R30-D176 VanDerWaalsContact NH2-CG 3.27Å; R30-D176 IonicContact NH2-OD1 3.93Å; R30-D176 PolarHBondContact NH2-OD1 3.35Å; R30-D176 IonicContact NH2-OD2 3.88Å; R30-D176 PolarHBondContact NH2-OD2 3.4Å |
| 31 | N | 96.8 | Very high | 96.4 | Very high | 41 Ų | 41 | 51.1 Ų | 51.1 | 22% | 0.219 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -74.6 | 146.4 | 172.3 | -59.4 | -45.6 | 0 | 0 | 0 | 110.9 | K6 S62 K110 | K6-N31 PolarHBondContact NZ-OD1 3.42Å; N31-S62 VanDerWaalsContact CB-O 3.26Å; N31-S62 WeakPolarHBondContact CB-O 3.18Å; N31-K110 PolarHBondContact ND2-NZ 3.42Å; N31-K110 VanDerWaalsContact ND2-NZ 3.11Å |
| 32 | L | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -73.1 | 138.2 | 176.2 | -172.9 | 74.3 | 0 | 0 | 0 | 110.5 | I10 L23 I26 L27 V34 C63 E64 D176 A177 I204 | I10-L32 HydrophobicContact CD1-CD2 4.33Å; L23-L32 HydrophobicContact CD1-CD1 3.78Å; L23-L32 HydrophobicContact CD1-CD2 3.65Å; L23-L32 HydrophobicContact CD1-CG 4.24Å; I26-L32 HydrophobicContact CD1-CD1 4.25Å; I26-L32 HydrophobicContact CG2-CD1 4.06Å; L27-L32 HydrophobicContact CD2-CB 4.21Å; L32-V34 HydrophobicContact CD2-CB 4.4Å; L32-C63 CarbonylContact O-C 3.58Å; L32-C63 VanDerWaalsContact O-CA 3.27Å; L32-C63 WeakPolarHBondContact O-CA 3.32Å; L32-C63 WeakPolarHBondContact O-CB 3.32Å; L32-E64 PolarHBondContact O-N 3.03Å; L32-D176 HydrophobicContact CD1-CB 3.6Å; L32-D176 HydrophobicContact CG-CB 4.44Å; L32-A177 HydrophobicContact CD1-CB 4.34Å; L32-A177 HydrophobicContact CD2-CB 4.07Å; L32-A177 HydrophobicContact CG-CB 4.37Å; L32-I204 HydrophobicContact CD1-CD1 4.02Å |
| 33 | K | 98.7 | Very high | 95.6 | Very high | 71 Ų | 71 | 44.2 Ų | 44.2 | 31% | 0.309 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 117.5 | 167.7 | -58.5 | -175.9 | 178.1 | -172.4 | 0 | 109 | E64 H174 V175 D176 A177 | K33-E64 WeakPolarHBondContact CA-O 3.46Å; K33-E64 VanDerWaalsContact CE-OE2 3.27Å; K33-E64 WeakPolarHBondContact CE-OE2 3.49Å; K33-E64 HydrophobicContact CG-CB 4.11Å; K33-E64 IonicContact NZ-OE2 3.8Å; K33-H174 WeakPolarHBondContact CD-O 3.27Å; K33-V175 HydrophobicContact CB-CG1 4.48Å; K33-D176 WeakPolarHBondContact CB-OD2 3.34Å; K33-D176 PolarHBondContact N-OD2 2.91Å; K33-D176 WeakPolarHBondContact O-CB 3.22Å; K33-D176 PolarHBondContact O-N 2.69Å; K33-A177 PolarHBondContact O-N 3.3Å |
| 34 | V | 98.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 142.5 | -176.6 | 61.4 | 0 | 0 | 0 | 0 | 110.3 | L32 F58 C63 E64 V65 T66 A177 F179 L206 | L32-V34 HydrophobicContact CD2-CB 4.4Å; V34-F58 HydrophobicContact CG1-CB 4.25Å; V34-F58 HydrophobicContact CG1-CD2 3.83Å; V34-F58 HydrophobicContact CG1-CE2 4.38Å; V34-F58 HydrophobicContact CG1-CG 4.1Å; V34-F58 HydrophobicContact CG2-CD2 4.42Å; V34-F58 HydrophobicContact CG2-CE2 4.14Å; V34-C63 HydrophobicContact CG1-CB 4.21Å; V34-E64 PolarHBondContact N-O 3.42Å; V34-V65 HydrophobicContact CG1-CB 4.46Å; V34-V65 HydrophobicContact CG1-CG1 4.46Å; V34-V65 HydrophobicContact CG1-CG2 3.9Å; V34-V65 CarbonylContact O-C 3.59Å; V34-V65 WeakPolarHBondContact O-CA 3.26Å; V34-T66 PolarHBondContact O-N 3.44Å; V34-A177 VanDerWaalsContact CA-O 3.28Å; V34-A177 WeakPolarHBondContact CA-O 3.36Å; V34-A177 HydrophobicContact CB-CB 4.18Å; V34-A177 HydrophobicContact CG2-CB 4Å; V34-F179 HydrophobicContact CG2-CB 4.01Å; V34-L206 HydrophobicContact CG2-CD1 4.47Å |
| 35 | Y | 98.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 154.4 | 165.7 | 89.2 | -70.6 | 0 | 0 | 0 | 113.7 | T66 L68 Q166 D169 E170 L173 V175 A177 Q178 F179 | Y35-T66 CarbonylContact C-O 3.47Å; Y35-T66 WeakPolarHBondContact CA-O 3.34Å; Y35-T66 VanDerWaalsContact CB-O 3.31Å; Y35-T66 WeakPolarHBondContact CB-O 3.47Å; Y35-L68 HydrophobicContact CD2-CB 4.12Å; Y35-L68 HydrophobicContact CE2-CD2 4.18Å; Y35-Q166 PolarHBondContact OH-O 2.85Å; Y35-Q166 VanDerWaalsContact OH-O 3.05Å; Y35-D169 HydrophobicContact CE2-CB 4.28Å; Y35-E170 HydrophobicContact CE1-CB 4.45Å; Y35-E170 HydrophobicContact CE1-CG 3.71Å; Y35-L173 HydrophobicContact CD1-CD1 4.32Å; Y35-L173 HydrophobicContact CD2-CD1 3.45Å; Y35-L173 VanDerWaalsContact CD2-CD1 3.45Å; Y35-L173 HydrophobicContact CE2-CD1 3.9Å; Y35-L173 HydrophobicContact CG-CD1 3.65Å; Y35-V175 HydrophobicContact CD1-CB 4.43Å; Y35-V175 HydrophobicContact CD1-CG1 4.33Å; Y35-V175 HydrophobicContact CD1-CG2 3.63Å; Y35-V175 HydrophobicContact CE1-CG2 4.08Å; Y35-A177 PolarHBondContact N-O 3.13Å; Y35-Q178 HydrophobicContact CD1-CB 3.95Å; Y35-Q178 HydrophobicContact CD1-CG 3.95Å; Y35-Q178 HydrophobicContact CE1-CB 3.49Å; Y35-Q178 VanDerWaalsContact CE1-CB 3.49Å; Y35-Q178 VanDerWaalsContact CE1-CD 3.48Å; Y35-Q178 HydrophobicContact CE1-CG 3.38Å; Y35-Q178 HydrophobicContact CE2-CG 4.31Å; Y35-Q178 PolarHBondContact OH-NE2 3.34Å; Y35-Q178 PolarHBondContact OH-OE1 3.18Å; Y35-Q178 VanDerWaalsContact OH-OE1 3.06Å; Y35-F179 PolarHBondContact O-N 2.82Å |
| 36 | W | 98.6 | Very high | 94.4 | Very high | 19 Ų | 19 | 37.3 Ų | 37.3 | 7% | 0.072 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 126.1 | 168.2 | 172.8 | 65 | 0 | 0 | 0 | 108.7 | T38 Y48 P51 I55 T66 I67 L68 I97 F179 | W36-T38 HydrophobicContact CH2-CG2 4.11Å; W36-T38 HydrophobicContact CZ3-CG2 4.08Å; W36-Y48 HydrophobicContact CH2-CD1 4.08Å; W36-Y48 HydrophobicContact CH2-CE1 4.09Å; W36-Y48 HydrophobicContact CZ2-CE1 4.46Å; W36-P51 HydrophobicContact CH2-CG 4.41Å; W36-P51 HydrophobicContact CZ2-CB 3.84Å; W36-P51 HydrophobicContact CZ2-CG 3.78Å; W36-I55 HydrophobicContact CB-CD1 4.31Å; W36-I55 HydrophobicContact CD2-CD1 3.84Å; W36-I55 HydrophobicContact CE3-CD1 3.46Å; W36-I55 VanDerWaalsContact CE3-CD1 3.46Å; W36-I55 HydrophobicContact CG-CD1 4.21Å; W36-I55 HydrophobicContact CZ3-CD1 4.02Å; W36-T66 PolarHBondContact N-O 3.03Å; W36-I67 HydrophobicContact CE3-CB 4.41Å; W36-I67 HydrophobicContact CE3-CD1 3.97Å; W36-I67 HydrophobicContact CE3-CG1 4.04Å; W36-I67 HydrophobicContact CE3-CG2 3.7Å; W36-I67 HydrophobicContact CZ3-CD1 4.2Å; W36-I67 HydrophobicContact CZ3-CG2 3.9Å; W36-I67 WeakPolarHBondContact O-CA 3.47Å; W36-L68 PolarHBondContact O-N 2.88Å; W36-I97 HydrophobicContact CH2-CD1 3.98Å; W36-I97 HydrophobicContact CZ3-CD1 3.77Å; W36-I97 HydrophobicContact CZ3-CG1 4.41Å; W36-F179 HydrophobicContact CB-CD1 4.04Å; W36-F179 AromaticContact CD1-CD1 3.71Å; W36-F179 HydrophobicContact CG-CD1 4.01Å; W36-F179 HydrophobicContact CG-CE1 4.47Å |
| 37 | G | 97.3 | Very high | 93.9 | Very high | 30 Ų | 30 | 37.5 Ų | 37.5 | 31% | 0.309 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 135.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 38 | T | 95.6 | Very high | 93.6 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 122.8 | 172.1 | -170.7 | 0 | 0 | 0 | 0 | 110.6 | W36 I40 I67 L68 F69 A70 Y93 I97 | W36-T38 HydrophobicContact CH2-CG2 4.11Å; W36-T38 HydrophobicContact CZ3-CG2 4.08Å; T38-I40 PolarHBondContact O-N 3.04Å; T38-I67 HydrophobicContact CG2-CG2 4.44Å; T38-L68 PolarHBondContact N-O 3.37Å; T38-F69 HydrophobicContact CG2-CD1 4.01Å; T38-F69 HydrophobicContact CG2-CE1 4.34Å; T38-A70 PolarHBondContact O-N 3.19Å; T38-Y93 HydrophobicContact CG2-CD1 4.16Å; T38-I97 HydrophobicContact CG2-CD1 3.81Å |
| 39 | A | 90.1 | Very high | 93.3 | Very high | 21 Ų | 21 | 32.2 Ų | 32.2 | 17% | 0.174 | 16% | 0.159 | C | C | . | . | trans | -76.7 | 123.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | T41 Y93 | A39-T41 HydrophobicContact CB-CG2 4.02Å; A39-T41 PolarHBondContact O-N 3.14Å; A39-Y93 PolarHBondContact O-OH 2.79Å; A39-Y93 VanDerWaalsContact O-OH 3.13Å | ||
| 40 | I | 90.4 | Very high | 93 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -77.7 | 65.1 | -175.5 | 53.3 | 137.3 | 0 | 0 | 0 | 112.3 | T38 F69 D71 T81 L86 R89 T90 Y93 | T38-I40 PolarHBondContact O-N 3.04Å; I40-F69 HydrophobicContact CG2-CB 4.15Å; I40-F69 HydrophobicContact CG2-CD1 4.28Å; I40-D71 HydrophobicContact CD1-CB 3.64Å; I40-D71 VanDerWaalsContact CG1-CA 3.5Å; I40-D71 HydrophobicContact CG1-CB 3.91Å; I40-T81 HydrophobicContact CD1-CG2 4.27Å; I40-T81 PolarHBondContact O-OG1 2.88Å; I40-L86 HydrophobicContact CD1-CB 4.39Å; I40-L86 HydrophobicContact CD1-CD2 3.74Å; I40-L86 WeakPolarHBondContact CD1-O 3.38Å; I40-R89 HydrophobicContact CB-CB 4.25Å; I40-R89 HydrophobicContact CD1-CB 3.92Å; I40-T90 VanDerWaalsContact CD1-OG1 3.26Å; I40-T90 WeakPolarHBondContact CD1-OG1 3.32Å; I40-Y93 HydrophobicContact CB-CD2 3.96Å; I40-Y93 HydrophobicContact CB-CE2 4.07Å; I40-Y93 HydrophobicContact CB-CG 4.3Å; I40-Y93 HydrophobicContact CG2-CD1 4.12Å; I40-Y93 HydrophobicContact CG2-CD2 3.91Å; I40-Y93 HydrophobicContact CG2-CE2 4.4Å; I40-Y93 HydrophobicContact CG2-CG 3.75Å | ||
| 41 | T | 88.5 | Confident | 92.8 | Very high | 29 Ų | 29 | 19.5 Ų | 19.5 | 18% | 0.178 | 11% | 0.114 | C | C | . | . | trans | -101.8 | -100.9 | -170.7 | 58.4 | 0 | 0 | 0 | 0 | 112.3 | A39 K80 R89 Y93 Y339 | A39-T41 HydrophobicContact CB-CG2 4.02Å; A39-T41 PolarHBondContact O-N 3.14Å; T41-K80 HydrophobicContact CG2-CB 3.69Å; T41-K80 HydrophobicContact CG2-CD 3.89Å; T41-K80 HydrophobicContact CG2-CG 4.45Å; T41-R89 WeakPolarHBondContact O-CD 3.48Å; T41-R89 PolarHBondContact O-NH1 2.66Å; T41-Y93 PolarHBondContact N-OH 2.97Å; T41-Y93 VanDerWaalsContact N-OH 3.13Å; T41-Y339 WeakPolarHBondContact O-CE1 3.39Å | ||
| 42 | G | 86.2 | Confident | 92.6 | Very high | 25 Ų | 25 | 17.6 Ų | 17.6 | 26% | 0.258 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -68.4 | 179.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y93 Y339 | G42-Y93 VanDerWaalsContact O-CE2 3.24Å; G42-Y93 WeakPolarHBondContact O-CE2 3.39Å; G42-Y93 PolarHBondContact O-OH 2.67Å; G42-Y339 PolarHBondContact O-OH 3Å |
| 43 | K | 90.3 | Very high | 92.3 | Very high | 61 Ų | 61 | 17.8 Ų | 17.8 | 27% | 0.265 | 11% | 0.105 | S | C | . | . | trans | -70.2 | 131.6 | 167.7 | -69.8 | -176.1 | 179.6 | -176.5 | 0 | 109.1 | Y92 Y339 | K43-Y92 HydrophobicContact CG-CE1 4.49Å; K43-Y339 HydrophobicContact CB-CE1 4.48Å; K43-Y339 HydrophobicContact CD-CD2 4.21Å; K43-Y339 HydrophobicContact CD-CG 4.23Å; K43-Y339 VanDerWaalsContact CE-CB 3.45Å; K43-Y339 VanDerWaalsContact CE-CG 3.41Å; K43-Y339 HydrophobicContact CG-CD1 3.74Å; K43-Y339 HydrophobicContact CG-CD2 3.72Å; K43-Y339 HydrophobicContact CG-CE1 3.65Å; K43-Y339 HydrophobicContact CG-CE2 3.66Å; K43-Y339 HydrophobicContact CG-CG 3.75Å | ||
| 44 | P | 90.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -54.5 | 144 | 166.7 | -25.2 | 37.2 | 0 | 0 | 0 | 110.5 | Y48 Y92 Y93 V96 L230 | P44-Y48 HydrophobicContact CB-CD1 3.94Å; P44-Y48 HydrophobicContact CB-CD2 3.79Å; P44-Y48 HydrophobicContact CB-CE1 4.06Å; P44-Y48 HydrophobicContact CB-CE2 3.93Å; P44-Y48 HydrophobicContact CB-CG 3.8Å; P44-Y48 HydrophobicContact CG-CD1 4.45Å; P44-Y48 HydrophobicContact CG-CE1 4.18Å; P44-Y92 HydrophobicContact CG-CE1 4.42Å; P44-Y93 HydrophobicContact CG-CD1 3.95Å; P44-Y93 HydrophobicContact CG-CD2 4.36Å; P44-Y93 HydrophobicContact CG-CE1 3.71Å; P44-Y93 HydrophobicContact CG-CE2 4.14Å; P44-Y93 HydrophobicContact CG-CG 4.29Å; P44-V96 HydrophobicContact CB-CG1 4.28Å; P44-V96 HydrophobicContact CG-CG1 4.37Å; P44-L230 HydrophobicContact CB-CD1 3.88Å | ||
| 45 | H | 89 | Confident | 92 | Very high | 21 Ų | 21 | 14.8 Ų | 14.8 | 10% | 0.097 | 9% | 0.092 | C | C | . | . | B | Isolated β-bridge | trans | -126.9 | 178.8 | 179.7 | 54.6 | 89.2 | 0 | 0 | 0 | 109.2 | A47 Y48 K227 I228 | H45-A47 WeakPolarHBondContact CE1-CB 3.47Å; H45-A47 VanDerWaalsContact ND1-CB 3.31Å; H45-A47 WeakPolarHBondContact ND1-CB 3.27Å; H45-A47 PolarHBondContact ND1-N 3.35Å; H45-A47 PolarHBondContact O-N 2.96Å; H45-Y48 WeakPolarHBondContact O-CB 3.46Å; H45-Y48 PolarHBondContact O-N 2.77Å; H45-K227 HydrophobicContact CB-CB 4.18Å; H45-K227 HydrophobicContact CB-CD 4.33Å; H45-I228 VanDerWaalsContact CB-O 3.29Å; H45-I228 WeakPolarHBondContact CB-O 3.43Å |
| 46 | I | 88.7 | Confident | 91.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -53.4 | -25.2 | -173.3 | -158.1 | 73.6 | 0 | 0 | 0 | 114.5 | Y48 F49 L214 I228 L230 F259 I315 L319 | I46-Y48 PolarHBondContact O-N 3.26Å; I46-F49 HydrophobicContact CD1-CD2 3.65Å; I46-F49 HydrophobicContact CD1-CE2 3.65Å; I46-F49 HydrophobicContact CG1-CD2 4.13Å; I46-F49 WeakPolarHBondContact O-CB 3.19Å; I46-F49 WeakPolarHBondContact O-CD2 3.41Å; I46-F49 PolarHBondContact O-N 3.06Å; I46-F49 VanDerWaalsContact O-N 3.13Å; I46-L214 HydrophobicContact CG2-CD1 4.37Å; I46-I228 HydrophobicContact CB-CB 4.06Å; I46-I228 HydrophobicContact CB-CG2 4.25Å; I46-I228 HydrophobicContact CG2-CB 3.92Å; I46-I228 PolarHBondContact N-O 3.2Å; I46-L230 HydrophobicContact CD1-CD2 4.43Å; I46-F259 HydrophobicContact CB-CE2 4.44Å; I46-F259 HydrophobicContact CD1-CZ 4.18Å; I46-F259 HydrophobicContact CG1-CE2 3.55Å; I46-F259 HydrophobicContact CG1-CZ 3.49Å; I46-F259 VanDerWaalsContact CG1-CZ 3.49Å; I46-F259 HydrophobicContact CG2-CE2 4.27Å; I46-I315 HydrophobicContact CD1-CG1 4.32Å; I46-I315 HydrophobicContact CD1-CG2 3.85Å; I46-I315 HydrophobicContact CG1-CD1 4.38Å; I46-I315 HydrophobicContact CG1-CG1 4.45Å; I46-L319 HydrophobicContact CD1-CD1 4.31Å; I46-L319 HydrophobicContact CD1-CD2 3.86Å; I46-L319 HydrophobicContact CD1-CG 4.2Å |
| 47 | A | 86.7 | Confident | 91.5 | Very high | 18 Ų | 18 | 14.1 Ų | 14.1 | 15% | 0.149 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -63.9 | -20.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | H45 F49 V50 P51 M219 | H45-A47 WeakPolarHBondContact CE1-CB 3.47Å; H45-A47 VanDerWaalsContact ND1-CB 3.31Å; H45-A47 WeakPolarHBondContact ND1-CB 3.27Å; H45-A47 PolarHBondContact ND1-N 3.35Å; H45-A47 PolarHBondContact O-N 2.96Å; A47-F49 PolarHBondContact O-N 3.45Å; A47-F49 VanDerWaalsContact O-N 3.17Å; A47-V50 WeakPolarHBondContact O-CB 3.32Å; A47-V50 WeakPolarHBondContact O-CG2 3.26Å; A47-V50 PolarHBondContact O-N 3.41Å; A47-P51 WeakPolarHBondContact O-CD 3.34Å; A47-M219 HydrophobicContact CB-CE 3.38Å; A47-M219 HydrophobicContact CB-SD 3.73Å |
| 48 | Y | 91.3 | Very high | 91.5 | Very high | 38 Ų | 38 | 12.8 Ų | 12.8 | 15% | 0.149 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -62.7 | -18.7 | 175.6 | -88.5 | -113.3 | 0 | 0 | 0 | 112.1 | W36 P44 H45 I46 V50 P51 V52 Y93 | W36-Y48 HydrophobicContact CH2-CD1 4.08Å; W36-Y48 HydrophobicContact CH2-CE1 4.09Å; W36-Y48 HydrophobicContact CZ2-CE1 4.46Å; P44-Y48 HydrophobicContact CB-CD1 3.94Å; P44-Y48 HydrophobicContact CB-CD2 3.79Å; P44-Y48 HydrophobicContact CB-CE1 4.06Å; P44-Y48 HydrophobicContact CB-CE2 3.93Å; P44-Y48 HydrophobicContact CB-CG 3.8Å; P44-Y48 HydrophobicContact CG-CD1 4.45Å; P44-Y48 HydrophobicContact CG-CE1 4.18Å; H45-Y48 WeakPolarHBondContact O-CB 3.46Å; H45-Y48 PolarHBondContact O-N 2.77Å; I46-Y48 PolarHBondContact O-N 3.26Å; Y48-V50 PolarHBondContact O-N 3.05Å; Y48-P51 VanDerWaalsContact O-CD 3.26Å; Y48-P51 WeakPolarHBondContact O-CD 3.39Å; Y48-P51 WeakPolarHBondContact O-CG 3.41Å; Y48-V52 WeakPolarHBondContact O-CB 3.34Å; Y48-V52 WeakPolarHBondContact O-CG2 3.34Å; Y48-V52 PolarHBondContact O-N 3Å; Y48-V52 VanDerWaalsContact O-N 3.11Å; Y48-Y93 HydrophobicContact CE1-CD1 4.47Å; Y48-Y93 AromaticContact CE1-CE1 3.92Å; Y48-Y93 HydrophobicContact CE1-CE1 3.92Å; Y48-Y93 AromaticContact CZ-CE1 3.98Å; Y48-Y93 WeakPolarHBondContact OH-CE1 3.29Å; Y48-Y93 PolarHBondContact OH-OH 3.17Å |
| 49 | F | 90.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.4 | -22.9 | 170 | -81.1 | -73.3 | 0 | 0 | 0 | 113.6 | I46 A47 S53 L100 T103 L230 V263 L267 L318 L319 | I46-F49 HydrophobicContact CD1-CD2 3.65Å; I46-F49 HydrophobicContact CD1-CE2 3.65Å; I46-F49 HydrophobicContact CG1-CD2 4.13Å; I46-F49 WeakPolarHBondContact O-CB 3.19Å; I46-F49 WeakPolarHBondContact O-CD2 3.41Å; I46-F49 PolarHBondContact O-N 3.06Å; I46-F49 VanDerWaalsContact O-N 3.13Å; A47-F49 PolarHBondContact O-N 3.45Å; A47-F49 VanDerWaalsContact O-N 3.17Å; F49-S53 VanDerWaalsContact O-CB 3.25Å; F49-S53 WeakPolarHBondContact O-CB 3.35Å; F49-S53 PolarHBondContact O-N 3.34Å; F49-S53 PolarHBondContact O-OG 3.45Å; F49-L100 HydrophobicContact CD1-CD2 4.15Å; F49-L100 HydrophobicContact CD2-CD2 4.08Å; F49-L100 HydrophobicContact CE1-CD2 3.59Å; F49-L100 HydrophobicContact CE2-CD2 3.49Å; F49-L100 VanDerWaalsContact CE2-CD2 3.49Å; F49-L100 HydrophobicContact CG-CD2 4.38Å; F49-L100 HydrophobicContact CZ-CD2 3.23Å; F49-T103 WeakPolarHBondContact CE1-OG1 3.31Å; F49-L230 HydrophobicContact CE2-CD2 4.17Å; F49-V263 HydrophobicContact CB-CB 4.26Å; F49-V263 HydrophobicContact CB-CG1 3.49Å; F49-V263 VanDerWaalsContact CB-CG1 3.49Å; F49-V263 HydrophobicContact CB-CG2 3.73Å; F49-V263 HydrophobicContact CD1-CG1 4.42Å; F49-V263 HydrophobicContact CG-CG1 4.04Å; F49-L267 HydrophobicContact CD1-CD1 3.77Å; F49-L267 HydrophobicContact CE1-CD1 4.22Å; F49-L318 HydrophobicContact CD1-CD1 4.36Å; F49-L318 HydrophobicContact CD2-CD1 4.5Å; F49-L318 HydrophobicContact CE1-CD1 4.05Å; F49-L318 HydrophobicContact CE1-CD2 4.26Å; F49-L318 HydrophobicContact CE2-CB 4.35Å; F49-L318 HydrophobicContact CE2-CD1 4.2Å; F49-L318 HydrophobicContact CZ-CB 3.9Å; F49-L318 HydrophobicContact CZ-CD1 3.96Å; F49-L318 HydrophobicContact CZ-CD2 4.41Å; F49-L318 HydrophobicContact CZ-CG 4.34Å; F49-L319 HydrophobicContact CE2-CD2 4.15Å |
| 50 | V | 90.4 | Very high | 91.7 | Very high | 11 Ų | 11 | 14.9 Ų | 14.9 | 7% | 0.067 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.6 | -59.3 | 177 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | A47 Y48 V52 S53 K54 N208 V211 V263 | A47-V50 WeakPolarHBondContact O-CB 3.32Å; A47-V50 WeakPolarHBondContact O-CG2 3.26Å; A47-V50 PolarHBondContact O-N 3.41Å; Y48-V50 PolarHBondContact O-N 3.05Å; V50-V52 VanDerWaalsContact C-N 3.31Å; V50-V52 PolarHBondContact O-N 3.11Å; V50-S53 PolarHBondContact O-N 3.41Å; V50-K54 PolarHBondContact O-N 2.9Å; V50-N208 WeakPolarHBondContact CG1-ND2 3.49Å; V50-V211 HydrophobicContact CB-CG2 4.46Å; V50-V211 HydrophobicContact CG1-CG2 3.81Å; V50-V211 HydrophobicContact CG2-CB 4.13Å; V50-V211 HydrophobicContact CG2-CG1 4.17Å; V50-V211 HydrophobicContact CG2-CG2 3.84Å; V50-V263 HydrophobicContact CG2-CG2 3.74Å |
| 51 | P | 93.4 | Very high | 91.9 | Very high | 16 Ų | 16 | 14.9 Ų | 14.9 | 10% | 0.104 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.3 | -34.6 | 174.7 | 24.6 | -33.3 | 0 | 0 | 0 | 112.5 | W36 A47 Y48 S53 K54 I55 F179 | W36-P51 HydrophobicContact CH2-CG 4.41Å; W36-P51 HydrophobicContact CZ2-CB 3.84Å; W36-P51 HydrophobicContact CZ2-CG 3.78Å; A47-P51 WeakPolarHBondContact O-CD 3.34Å; Y48-P51 VanDerWaalsContact O-CD 3.26Å; Y48-P51 WeakPolarHBondContact O-CD 3.39Å; Y48-P51 WeakPolarHBondContact O-CG 3.41Å; P51-S53 PolarHBondContact O-N 3.23Å; P51-K54 WeakPolarHBondContact O-CB 3.46Å; P51-K54 PolarHBondContact O-N 3.31Å; P51-K54 VanDerWaalsContact O-N 3.14Å; P51-I55 WeakPolarHBondContact O-CG1 3.46Å; P51-I55 PolarHBondContact O-N 2.99Å; P51-F179 HydrophobicContact CB-CE1 3.8Å; P51-F179 HydrophobicContact CB-CZ 4.25Å |
| 52 | V | 92.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.4 | -40.4 | 176.4 | 166.9 | 0 | 0 | 0 | 0 | 111.9 | Y48 V50 K54 I55 A56 L100 L101 | Y48-V52 WeakPolarHBondContact O-CB 3.34Å; Y48-V52 WeakPolarHBondContact O-CG2 3.34Å; Y48-V52 PolarHBondContact O-N 3Å; Y48-V52 VanDerWaalsContact O-N 3.11Å; V50-V52 VanDerWaalsContact C-N 3.31Å; V50-V52 PolarHBondContact O-N 3.11Å; V52-K54 PolarHBondContact O-N 3.08Å; V52-I55 PolarHBondContact O-N 3.21Å; V52-A56 WeakPolarHBondContact O-CB 3.38Å; V52-A56 PolarHBondContact O-N 3.15Å; V52-L100 HydrophobicContact CG1-CB 4.05Å; V52-L100 HydrophobicContact CG2-CB 3.93Å; V52-L100 HydrophobicContact CG2-CD1 4.1Å; V52-L101 HydrophobicContact CG1-CD2 3.88Å; V52-L101 HydrophobicContact CG1-CG 4.2Å |
| 53 | S | 91.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 14.5 Ų | 14.5 | 3% | 0.028 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.7 | -36.1 | 175.6 | -62.5 | 0 | 0 | 0 | 0 | 111.4 | F49 V50 P51 A56 D57 | F49-S53 VanDerWaalsContact O-CB 3.25Å; F49-S53 WeakPolarHBondContact O-CB 3.35Å; F49-S53 PolarHBondContact O-N 3.34Å; F49-S53 PolarHBondContact O-OG 3.45Å; V50-S53 PolarHBondContact O-N 3.41Å; P51-S53 PolarHBondContact O-N 3.23Å; S53-A56 WeakPolarHBondContact O-CB 3.45Å; S53-A56 PolarHBondContact O-N 3.34Å; S53-D57 PolarHBondContact O-N 3.08Å; S53-D57 VanDerWaalsContact O-N 3.13Å |
| 54 | K | 94.6 | Very high | 93.2 | Very high | 10 Ų | 10 | 15.7 Ų | 15.7 | 4% | 0.043 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -73.2 | -38.6 | 176.2 | -161.6 | 57.4 | -99.8 | 166.2 | 0 | 112.7 | L9 I10 R12 L14 V50 P51 V52 A56 D57 F58 F179 | L9-K54 PolarHBondContact O-NZ 3.26Å; I10-K54 VanDerWaalsContact O-CE 3.27Å; I10-K54 WeakPolarHBondContact O-CE 3.47Å; I10-K54 PolarHBondContact O-NZ 2.86Å; R12-K54 PolarHBondContact O-NZ 3.26Å; L14-K54 HydrophobicContact CD2-CD 3.84Å; L14-K54 HydrophobicContact CD2-CG 4.03Å; L14-K54 HydrophobicContact CG-CD 4.44Å; V50-K54 PolarHBondContact O-N 2.9Å; P51-K54 WeakPolarHBondContact O-CB 3.46Å; P51-K54 PolarHBondContact O-N 3.31Å; P51-K54 VanDerWaalsContact O-N 3.14Å; V52-K54 PolarHBondContact O-N 3.08Å; K54-A56 VanDerWaalsContact C-N 3.29Å; K54-A56 PolarHBondContact O-N 2.91Å; K54-D57 VanDerWaalsContact CE-CB 3.49Å; K54-D57 IonicContact NZ-OD2 3.62Å; K54-D57 PolarHBondContact NZ-OD2 3.25Å; K54-D57 WeakPolarHBondContact O-CB 3.37Å; K54-D57 PolarHBondContact O-N 3.43Å; K54-F58 HydrophobicContact CD-CE1 4.26Å; K54-F58 HydrophobicContact CD-CZ 4.32Å; K54-F58 HydrophobicContact CG-CE1 4.04Å; K54-F58 HydrophobicContact CG-CE2 4.08Å; K54-F58 HydrophobicContact CG-CZ 3.63Å; K54-F58 WeakPolarHBondContact O-CD2 3.49Å; K54-F58 VanDerWaalsContact O-CG 3.32Å; K54-F58 WeakPolarHBondContact O-CG 3.4Å; K54-F58 PolarHBondContact O-N 3.42Å; K54-F179 HydrophobicContact CB-CE1 3.81Å; K54-F179 HydrophobicContact CB-CE2 4.12Å; K54-F179 HydrophobicContact CB-CZ 3.5Å; K54-F179 HydrophobicContact CG-CD2 4.15Å; K54-F179 HydrophobicContact CG-CE1 4.03Å; K54-F179 HydrophobicContact CG-CE2 3.59Å; K54-F179 HydrophobicContact CG-CZ 3.52Å |
| 55 | I | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 170.8 | -71.3 | 158 | 0 | 0 | 0 | 110.8 | W36 P51 V52 D57 F58 L59 V65 I67 L101 | W36-I55 HydrophobicContact CB-CD1 4.31Å; W36-I55 HydrophobicContact CD2-CD1 3.84Å; W36-I55 HydrophobicContact CE3-CD1 3.46Å; W36-I55 VanDerWaalsContact CE3-CD1 3.46Å; W36-I55 HydrophobicContact CG-CD1 4.21Å; W36-I55 HydrophobicContact CZ3-CD1 4.02Å; P51-I55 WeakPolarHBondContact O-CG1 3.46Å; P51-I55 PolarHBondContact O-N 2.99Å; V52-I55 PolarHBondContact O-N 3.21Å; I55-D57 VanDerWaalsContact C-N 3.28Å; I55-D57 PolarHBondContact O-N 3.06Å; I55-F58 WeakPolarHBondContact O-CB 3.48Å; I55-F58 PolarHBondContact O-N 3.46Å; I55-F58 VanDerWaalsContact O-N 3.13Å; I55-L59 HydrophobicContact CG2-CD1 3.97Å; I55-L59 HydrophobicContact CG2-CG 4.43Å; I55-L59 WeakPolarHBondContact O-CG 3.29Å; I55-L59 PolarHBondContact O-N 2.97Å; I55-V65 HydrophobicContact CG2-CG1 4.07Å; I55-I67 HydrophobicContact CD1-CD1 3.81Å; I55-I67 HydrophobicContact CD1-CG1 4.35Å; I55-L101 HydrophobicContact CB-CD2 4.14Å; I55-L101 HydrophobicContact CG2-CD1 4.47Å; I55-L101 HydrophobicContact CG2-CD2 3.5Å |
| 56 | A | 93.8 | Very high | 94 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 2% | 0.017 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.4 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V52 S53 K54 L59 K60 A104 V106 | V52-A56 WeakPolarHBondContact O-CB 3.38Å; V52-A56 PolarHBondContact O-N 3.15Å; S53-A56 WeakPolarHBondContact O-CB 3.45Å; S53-A56 PolarHBondContact O-N 3.34Å; K54-A56 VanDerWaalsContact C-N 3.29Å; K54-A56 PolarHBondContact O-N 2.91Å; A56-L59 PolarHBondContact O-N 3.35Å; A56-K60 WeakPolarHBondContact O-CB 3.45Å; A56-K60 VanDerWaalsContact O-CG 3.28Å; A56-K60 WeakPolarHBondContact O-CG 3.3Å; A56-K60 PolarHBondContact O-N 3.04Å; A56-A104 HydrophobicContact CB-CB 3.82Å; A56-V106 HydrophobicContact CB-CG1 3.76Å; A56-V106 HydrophobicContact CB-CG2 4.08Å |
| 57 | D | 93.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 15.2 Ų | 15.2 | 2% | 0.021 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.7 | -39.7 | 173.1 | -73.4 | -11.3 | 0 | 0 | 0 | 113.2 | L9 R12 S53 K54 I55 L59 K60 A61 | L9-D57 WeakPolarHBondContact O-CB 3.49Å; R12-D57 IonicContact CZ-OD1 2.69Å; R12-D57 IonicContact CZ-OD2 3.21Å; R12-D57 IonicContact NE-OD1 2.65Å; R12-D57 IonicContact NE-OD2 2.64Å; R12-D57 PolarHBondContact NE-OD2 3.45Å; R12-D57 VanDerWaalsContact NH2-CG 3.34Å; R12-D57 IonicContact NH2-OD1 3.96Å; R12-D57 PolarHBondContact NH2-OD1 3.48Å; R12-D57 IonicContact NH2-OD2 2.78Å; R12-D57 PolarHBondContact NH2-OD2 3.08Å; S53-D57 PolarHBondContact O-N 3.08Å; S53-D57 VanDerWaalsContact O-N 3.13Å; K54-D57 VanDerWaalsContact CE-CB 3.49Å; K54-D57 IonicContact NZ-OD2 3.62Å; K54-D57 PolarHBondContact NZ-OD2 3.25Å; K54-D57 WeakPolarHBondContact O-CB 3.37Å; K54-D57 PolarHBondContact O-N 3.43Å; I55-D57 VanDerWaalsContact C-N 3.28Å; I55-D57 PolarHBondContact O-N 3.06Å; D57-L59 VanDerWaalsContact C-N 3.34Å; D57-L59 PolarHBondContact O-N 3.37Å; D57-K60 PolarHBondContact O-N 3.48Å; D57-A61 WeakPolarHBondContact O-CB 3.29Å; D57-A61 PolarHBondContact O-N 2.97Å |
| 58 | F | 96.9 | Very high | 95 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.009 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 174.9 | -60.3 | -29.9 | 0 | 0 | 0 | 111.5 | I10 V34 K54 I55 A61 S62 C63 V65 F179 L206 | I10-F58 HydrophobicContact CB-CD1 4.44Å; I10-F58 HydrophobicContact CB-CE1 4.45Å; I10-F58 HydrophobicContact CG1-CD1 4.17Å; I10-F58 HydrophobicContact CG2-CD1 4.27Å; I10-F58 HydrophobicContact CG2-CE1 3.92Å; V34-F58 HydrophobicContact CG1-CB 4.25Å; V34-F58 HydrophobicContact CG1-CD2 3.83Å; V34-F58 HydrophobicContact CG1-CE2 4.38Å; V34-F58 HydrophobicContact CG1-CG 4.1Å; V34-F58 HydrophobicContact CG2-CD2 4.42Å; V34-F58 HydrophobicContact CG2-CE2 4.14Å; K54-F58 HydrophobicContact CD-CE1 4.26Å; K54-F58 HydrophobicContact CD-CZ 4.32Å; K54-F58 HydrophobicContact CG-CE1 4.04Å; K54-F58 HydrophobicContact CG-CE2 4.08Å; K54-F58 HydrophobicContact CG-CZ 3.63Å; K54-F58 WeakPolarHBondContact O-CD2 3.49Å; K54-F58 VanDerWaalsContact O-CG 3.32Å; K54-F58 WeakPolarHBondContact O-CG 3.4Å; K54-F58 PolarHBondContact O-N 3.42Å; I55-F58 WeakPolarHBondContact O-CB 3.48Å; I55-F58 PolarHBondContact O-N 3.46Å; I55-F58 VanDerWaalsContact O-N 3.13Å; F58-A61 CarbonylContact O-C 3.47Å; F58-A61 PolarHBondContact O-N 2.96Å; F58-S62 PolarHBondContact O-N 2.86Å; F58-C63 HydrophobicContact CB-CB 4.03Å; F58-C63 WeakPolarHBondContact O-CB 3.42Å; F58-C63 PolarHBondContact O-N 3.1Å; F58-C63 PolarHBondContact O-SG 3.48Å; F58-V65 HydrophobicContact CB-CG2 3.7Å; F58-F179 HydrophobicContact CE2-CB 3.66Å; F58-F179 AromaticContact CE2-CD1 3.7Å; F58-F179 HydrophobicContact CE2-CD1 3.7Å; F58-F179 HydrophobicContact CE2-CD2 4.17Å; F58-F179 HydrophobicContact CE2-CE1 4.45Å; F58-F179 AromaticContact CE2-CG 3.55Å; F58-F179 HydrophobicContact CE2-CG 3.55Å; F58-F179 HydrophobicContact CZ-CB 3.94Å; F58-F179 HydrophobicContact CZ-CD1 4.28Å; F58-F179 AromaticContact CZ-CD2 3.92Å; F58-F179 HydrophobicContact CZ-CD2 3.92Å; F58-F179 AromaticContact CZ-CG 3.77Å; F58-F179 HydrophobicContact CZ-CG 3.77Å; F58-L206 HydrophobicContact CE1-CD1 3.74Å; F58-L206 HydrophobicContact CZ-CD1 3.67Å |
| 59 | L | 95.7 | Very high | 95.3 | Very high | 11 Ų | 11 | 12.6 Ų | 12.6 | 6% | 0.058 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 176.4 | -68.9 | 168.7 | 0 | 0 | 0 | 111.5 | I55 A56 D57 A61 S62 V65 L101 V106 L108 K110 L111 | I55-L59 HydrophobicContact CG2-CD1 3.97Å; I55-L59 HydrophobicContact CG2-CG 4.43Å; I55-L59 WeakPolarHBondContact O-CG 3.29Å; I55-L59 PolarHBondContact O-N 2.97Å; A56-L59 PolarHBondContact O-N 3.35Å; D57-L59 VanDerWaalsContact C-N 3.34Å; D57-L59 PolarHBondContact O-N 3.37Å; L59-A61 VanDerWaalsContact C-N 3.29Å; L59-A61 PolarHBondContact O-N 2.86Å; L59-S62 WeakPolarHBondContact O-CA 3.43Å; L59-S62 PolarHBondContact O-N 3.35Å; L59-V65 HydrophobicContact CD2-CB 4.1Å; L59-V65 HydrophobicContact CD2-CG2 3.76Å; L59-V65 HydrophobicContact CG-CG2 3.98Å; L59-L101 HydrophobicContact CD1-CD2 4.47Å; L59-V106 HydrophobicContact CB-CB 4.47Å; L59-V106 HydrophobicContact CB-CG2 4.46Å; L59-V106 HydrophobicContact CD1-CG2 3.86Å; L59-L108 HydrophobicContact CD1-CD2 3.98Å; L59-K110 HydrophobicContact CD2-CB 4.32Å; L59-L111 HydrophobicContact CD2-CB 4.19Å |
| 60 | K | 93.4 | Very high | 95.5 | Very high | 60 Ų | 60 | 12.9 Ų | 12.9 | 26% | 0.261 | 7% | 0.07 | S | C | . | . | H | α-helix | trans | -59.2 | -38.4 | 172.4 | -74.9 | 171.6 | -178.2 | 176 | 0 | 112.3 | L9 A56 D57 S62 V106 N269 | L9-K60 HydrophobicContact CD1-CB 4.29Å; A56-K60 WeakPolarHBondContact O-CB 3.45Å; A56-K60 VanDerWaalsContact O-CG 3.28Å; A56-K60 WeakPolarHBondContact O-CG 3.3Å; A56-K60 PolarHBondContact O-N 3.04Å; D57-K60 PolarHBondContact O-N 3.48Å; K60-S62 PolarHBondContact O-N 3.48Å; K60-V106 HydrophobicContact CD-CG1 4.11Å; K60-V106 VanDerWaalsContact CE-CG1 3.42Å; K60-V106 HydrophobicContact CG-CG1 3.82Å; K60-N269 PolarHBondContact NZ-OD1 3.06Å |
| 61 | A | 95.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.008 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 6.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K6 L9 I10 D57 F58 L59 C63 | K6-A61 HydrophobicContact CB-CB 4.3Å; K6-A61 WeakPolarHBondContact CD-O 3.36Å; K6-A61 HydrophobicContact CG-CB 4.37Å; L9-A61 HydrophobicContact CB-CB 4.19Å; I10-A61 HydrophobicContact CD1-CB 4.19Å; I10-A61 HydrophobicContact CG1-CB 3.86Å; D57-A61 WeakPolarHBondContact O-CB 3.29Å; D57-A61 PolarHBondContact O-N 2.97Å; F58-A61 CarbonylContact O-C 3.47Å; F58-A61 PolarHBondContact O-N 2.96Å; L59-A61 VanDerWaalsContact C-N 3.29Å; L59-A61 PolarHBondContact O-N 2.86Å; A61-C63 VanDerWaalsContact C-N 3.28Å; A61-C63 PolarHBondContact O-N 3.18Å |
| 62 | S | 95.5 | Very high | 95.5 | Very high | 45 Ų | 45 | 12.8 Ų | 12.8 | 32% | 0.315 | 7% | 0.068 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 20.9 | 179.2 | -60.7 | 0 | 0 | 0 | 0 | 115.1 | N31 F58 L59 K60 K110 | N31-S62 VanDerWaalsContact CB-O 3.26Å; N31-S62 WeakPolarHBondContact CB-O 3.18Å; F58-S62 PolarHBondContact O-N 2.86Å; L59-S62 WeakPolarHBondContact O-CA 3.43Å; L59-S62 PolarHBondContact O-N 3.35Å; K60-S62 PolarHBondContact O-N 3.48Å; S62-K110 WeakPolarHBondContact O-CD 3.43Å; S62-K110 PolarHBondContact O-NZ 3.4Å |
| 63 | C | 97.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.007 | 7% | 0.068 | C | C | . | . | trans | -64.9 | 151.2 | 174.4 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | L32 V34 F58 A61 V65 K110 | L32-C63 CarbonylContact O-C 3.58Å; L32-C63 VanDerWaalsContact O-CA 3.27Å; L32-C63 WeakPolarHBondContact O-CA 3.32Å; L32-C63 WeakPolarHBondContact O-CB 3.32Å; V34-C63 HydrophobicContact CG1-CB 4.21Å; F58-C63 HydrophobicContact CB-CB 4.03Å; F58-C63 WeakPolarHBondContact O-CB 3.42Å; F58-C63 PolarHBondContact O-N 3.1Å; F58-C63 PolarHBondContact O-SG 3.48Å; A61-C63 VanDerWaalsContact C-N 3.28Å; A61-C63 PolarHBondContact O-N 3.18Å; C63-V65 HydrophobicContact CB-CG2 4.17Å; C63-K110 WeakPolarHBondContact O-CB 3.42Å | ||
| 64 | E | 98.2 | Very high | 95 | Very high | 85 Ų | 85 | 12.7 Ų | 12.7 | 40% | 0.397 | 7% | 0.067 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 113.2 | 164.2 | -68.6 | 169.9 | -132.1 | 0 | 0 | 107.7 | L32 K33 V34 | L32-E64 PolarHBondContact O-N 3.03Å; K33-E64 WeakPolarHBondContact CA-O 3.46Å; K33-E64 VanDerWaalsContact CE-OE2 3.27Å; K33-E64 WeakPolarHBondContact CE-OE2 3.49Å; K33-E64 HydrophobicContact CG-CB 4.11Å; K33-E64 IonicContact NZ-OE2 3.8Å; V34-E64 PolarHBondContact N-O 3.42Å |
| 65 | V | 98.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.012 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 121.8 | -173.6 | -175.2 | 0 | 0 | 0 | 0 | 110.1 | V34 I55 F58 L59 C63 K110 L111 R112 | V34-V65 HydrophobicContact CG1-CB 4.46Å; V34-V65 HydrophobicContact CG1-CG1 4.46Å; V34-V65 HydrophobicContact CG1-CG2 3.9Å; V34-V65 CarbonylContact O-C 3.59Å; V34-V65 WeakPolarHBondContact O-CA 3.26Å; I55-V65 HydrophobicContact CG2-CG1 4.07Å; F58-V65 HydrophobicContact CB-CG2 3.7Å; L59-V65 HydrophobicContact CD2-CB 4.1Å; L59-V65 HydrophobicContact CD2-CG2 3.76Å; L59-V65 HydrophobicContact CG-CG2 3.98Å; C63-V65 HydrophobicContact CB-CG2 4.17Å; V65-K110 PolarHBondContact N-O 2.93Å; V65-L111 HydrophobicContact CB-CD1 4.15Å; V65-L111 HydrophobicContact CG1-CD1 4.05Å; V65-L111 CarbonylContact O-C 3.57Å; V65-L111 WeakPolarHBondContact O-CA 3.3Å; V65-R112 PolarHBondContact O-N 3.38Å |
| 66 | T | 98.6 | Very high | 94 | Very high | 10 Ų | 10 | 17.4 Ų | 17.4 | 6% | 0.061 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 128.3 | 168.3 | -64.3 | 0 | 0 | 0 | 0 | 110.2 | V34 Y35 W36 R112 V114 L173 | V34-T66 PolarHBondContact O-N 3.44Å; Y35-T66 CarbonylContact C-O 3.47Å; Y35-T66 WeakPolarHBondContact CA-O 3.34Å; Y35-T66 VanDerWaalsContact CB-O 3.31Å; Y35-T66 WeakPolarHBondContact CB-O 3.47Å; W36-T66 PolarHBondContact N-O 3.03Å; T66-R112 CarbonylContact C-O 3.58Å; T66-R112 WeakPolarHBondContact CA-O 3.45Å; T66-R112 PolarHBondContact OG1-NE 2.88Å; T66-R112 PolarHBondContact OG1-NH2 3.09Å; T66-R112 VanDerWaalsContact OG1-NH2 3.15Å; T66-V114 HydrophobicContact CG2-CB 4.17Å; T66-V114 HydrophobicContact CG2-CG2 3.68Å; T66-L173 HydrophobicContact CG2-CD1 4.28Å; T66-L173 HydrophobicContact CG2-CD2 4.19Å |
| 67 | I | 98.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.3 | 166.3 | -60.8 | -173.6 | 0 | 0 | 0 | 107.9 | W36 T38 I55 F69 I97 L101 L111 R112 F113 V114 | W36-I67 HydrophobicContact CE3-CB 4.41Å; W36-I67 HydrophobicContact CE3-CD1 3.97Å; W36-I67 HydrophobicContact CE3-CG1 4.04Å; W36-I67 HydrophobicContact CE3-CG2 3.7Å; W36-I67 HydrophobicContact CZ3-CD1 4.2Å; W36-I67 HydrophobicContact CZ3-CG2 3.9Å; W36-I67 WeakPolarHBondContact O-CA 3.47Å; T38-I67 HydrophobicContact CG2-CG2 4.44Å; I55-I67 HydrophobicContact CD1-CD1 3.81Å; I55-I67 HydrophobicContact CD1-CG1 4.35Å; I67-F69 HydrophobicContact CG2-CE1 4.25Å; I67-F69 HydrophobicContact CG2-CE2 4.35Å; I67-F69 HydrophobicContact CG2-CZ 4.01Å; I67-I97 HydrophobicContact CD1-CG2 3.62Å; I67-L101 HydrophobicContact CD1-CD1 3.95Å; I67-L111 HydrophobicContact CD1-CD1 3.91Å; I67-L111 HydrophobicContact CG1-CD1 3.91Å; I67-R112 PolarHBondContact N-O 3.46Å; I67-F113 HydrophobicContact CB-CD1 3.92Å; I67-F113 HydrophobicContact CB-CE1 4.12Å; I67-F113 HydrophobicContact CD1-CE1 3.91Å; I67-F113 HydrophobicContact CG1-CD1 4.48Å; I67-F113 HydrophobicContact CG1-CE1 4.28Å; I67-V114 PolarHBondContact O-N 2.92Å |
| 68 | L | 98.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 113.9 | 175.8 | 176.5 | 67.1 | 0 | 0 | 0 | 109.4 | Y35 W36 T38 A70 V114 Y119 D169 L173 | Y35-L68 HydrophobicContact CD2-CB 4.12Å; Y35-L68 HydrophobicContact CE2-CD2 4.18Å; W36-L68 PolarHBondContact O-N 2.88Å; T38-L68 PolarHBondContact N-O 3.37Å; L68-A70 HydrophobicContact CD2-CB 4.47Å; L68-A70 HydrophobicContact CG-CB 4.41Å; L68-A70 PolarHBondContact O-N 2.96Å; L68-V114 CarbonylContact C-O 3.56Å; L68-V114 WeakPolarHBondContact CA-O 3.47Å; L68-V114 HydrophobicContact CD1-CB 4.43Å; L68-V114 HydrophobicContact CD1-CG1 4.22Å; L68-Y119 HydrophobicContact CD1-CE1 3.94Å; L68-D169 HydrophobicContact CD2-CB 4.11Å; L68-D169 VanDerWaalsContact CD2-OD2 3.29Å; L68-D169 WeakPolarHBondContact CD2-OD2 3.24Å; L68-L173 HydrophobicContact CB-CD1 4.18Å; L68-L173 HydrophobicContact CD2-CD1 4.23Å |
| 69 | F | 97.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 95.3 | 165.2 | -58.6 | -76.4 | 0 | 0 | 0 | 108 | T38 I40 I67 D71 T90 E94 I97 F113 V114 G116 | T38-F69 HydrophobicContact CG2-CD1 4.01Å; T38-F69 HydrophobicContact CG2-CE1 4.34Å; I40-F69 HydrophobicContact CG2-CB 4.15Å; I40-F69 HydrophobicContact CG2-CD1 4.28Å; I67-F69 HydrophobicContact CG2-CE1 4.25Å; I67-F69 HydrophobicContact CG2-CE2 4.35Å; I67-F69 HydrophobicContact CG2-CZ 4.01Å; F69-D71 PolarHBondContact O-N 2.64Å; F69-T90 HydrophobicContact CB-CG2 3.94Å; F69-T90 HydrophobicContact CG-CG2 4.25Å; F69-E94 HydrophobicContact CE1-CB 4.13Å; F69-E94 HydrophobicContact CE2-CB 4.05Å; F69-E94 HydrophobicContact CE2-CG 3.84Å; F69-E94 VanDerWaalsContact CZ-CA 3.43Å; F69-E94 HydrophobicContact CZ-CB 3.77Å; F69-E94 HydrophobicContact CZ-CG 3.84Å; F69-I97 HydrophobicContact CE1-CD1 3.74Å; F69-I97 HydrophobicContact CZ-CD1 4.5Å; F69-F113 HydrophobicContact CE2-CB 3.74Å; F69-F113 HydrophobicContact CE2-CD1 4.04Å; F69-F113 HydrophobicContact CE2-CD2 4.08Å; F69-F113 AromaticContact CE2-CG 3.68Å; F69-F113 HydrophobicContact CE2-CG 3.68Å; F69-F113 HydrophobicContact CZ-CD1 4.24Å; F69-F113 HydrophobicContact CZ-CD2 4.29Å; F69-F113 HydrophobicContact CZ-CE1 4.48Å; F69-F113 HydrophobicContact CZ-CE2 4.5Å; F69-F113 HydrophobicContact CZ-CG 4.14Å; F69-V114 PolarHBondContact N-O 3.4Å; F69-G116 PolarHBondContact O-N 3.26Å |
| 70 | A | 95 | Very high | 90.4 | Very high | 6 Ų | 6 | 27 Ų | 27 | 5% | 0.05 | 14% | 0.136 | C | C | . | . | trans | -78.1 | 68.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110 | T38 L68 H73 G74 | T38-A70 PolarHBondContact O-N 3.19Å; L68-A70 HydrophobicContact CD2-CB 4.47Å; L68-A70 HydrophobicContact CG-CB 4.41Å; L68-A70 PolarHBondContact O-N 2.96Å; A70-H73 HydrophobicContact CB-CB 3.74Å; A70-H73 WeakPolarHBondContact O-CB 3.49Å; A70-H73 PolarHBondContact O-N 3.49Å; A70-G74 PolarHBondContact O-N 2.76Å | ||
| 71 | D | 92 | Very high | 89.9 | Confident | 6 Ų | 6 | 24.1 Ų | 24.1 | 3% | 0.032 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.6 | -48.4 | -179.2 | 54.2 | -4 | 0 | 0 | 0 | 112.8 | I40 F69 H73 G74 Y75 L86 G116 T117 | I40-D71 HydrophobicContact CD1-CB 3.64Å; I40-D71 VanDerWaalsContact CG1-CA 3.5Å; I40-D71 HydrophobicContact CG1-CB 3.91Å; F69-D71 PolarHBondContact O-N 2.64Å; D71-H73 PolarHBondContact O-N 2.92Å; D71-G74 PolarHBondContact O-N 3.45Å; D71-Y75 PolarHBondContact O-N 3.05Å; D71-Y75 VanDerWaalsContact O-N 3.11Å; D71-L86 HydrophobicContact CB-CD2 4.22Å; D71-L86 WeakPolarHBondContact O-CD2 3.31Å; D71-G116 VanDerWaalsContact OD1-CA 3.25Å; D71-G116 WeakPolarHBondContact OD1-CA 3.39Å; D71-G116 PolarHBondContact OD1-N 3.42Å; D71-T117 PolarHBondContact OD1-N 3.38Å; D71-T117 WeakPolarHBondContact OD2-CB 3.44Å; D71-T117 WeakPolarHBondContact OD2-CG2 3.36Å; D71-T117 PolarHBondContact OD2-OG1 2.86Å |
| 72 | L | 91.2 | Very high | 89.4 | Confident | 18 Ų | 18 | 26.2 Ų | 26.2 | 9% | 0.094 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.9 | -39.6 | 173.1 | -172.7 | 59.1 | 0 | 0 | 0 | 111.5 | G74 Y75 L76 W83 T117 Q120 L121 | L72-G74 PolarHBondContact O-N 3.34Å; L72-Y75 WeakPolarHBondContact O-CB 3.28Å; L72-Y75 PolarHBondContact O-N 3.35Å; L72-L76 HydrophobicContact CD1-CD1 4.48Å; L72-L76 HydrophobicContact CD1-CG 4.45Å; L72-L76 HydrophobicContact CG-CD1 3.94Å; L72-L76 HydrophobicContact CG-CG 4.35Å; L72-L76 WeakPolarHBondContact O-CB 3.32Å; L72-L76 VanDerWaalsContact O-CG 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.42Å; L72-L76 PolarHBondContact O-N 2.91Å; L72-W83 HydrophobicContact CD1-CH2 4.45Å; L72-W83 HydrophobicContact CD1-CZ3 4.06Å; L72-T117 HydrophobicContact CB-CG2 4.45Å; L72-Q120 HydrophobicContact CD2-CB 3.93Å; L72-L121 HydrophobicContact CD2-CD2 4.05Å |
| 73 | H | 90.4 | Very high | 89 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.009 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.2 | -38.6 | 175.1 | -70 | 79.8 | 0 | 0 | 0 | 112.3 | A70 D71 Y75 L76 D77 Q120 Y162 L165 Q166 D169 | A70-H73 HydrophobicContact CB-CB 3.74Å; A70-H73 WeakPolarHBondContact O-CB 3.49Å; A70-H73 PolarHBondContact O-N 3.49Å; D71-H73 PolarHBondContact O-N 2.92Å; H73-Y75 VanDerWaalsContact C-N 3.25Å; H73-Y75 PolarHBondContact O-N 2.84Å; H73-L76 PolarHBondContact O-N 3.3Å; H73-D77 WeakPolarHBondContact O-CB 3.36Å; H73-D77 PolarHBondContact O-N 2.83Å; H73-Q120 PolarHBondContact CE1-NE2 3.46Å; H73-Q120 VanDerWaalsContact CE1-NE2 3.32Å; H73-Y162 HydrophobicContact CB-CD2 4.43Å; H73-Y162 HydrophobicContact CB-CE2 3.74Å; H73-Y162 AromaticContact CD2-CD2 3.79Å; H73-Y162 AromaticContact CD2-CE1 3.81Å; H73-Y162 AromaticContact CD2-CE2 3.57Å; H73-Y162 AromaticContact CD2-CG 3.99Å; H73-Y162 AromaticContact CD2-CZ 3.56Å; H73-L165 WeakPolarHBondContact NE2-CB 3.42Å; H73-Q166 PolarHBondContact NE2-N 3.05Å; H73-D169 IonicContact CE1-OD2 3.35Å; H73-D169 PolarHBondContact CE1-OD2 2.93Å; H73-D169 VanDerWaalsContact CE1-OD2 3.31Å |
| 74 | G | 85.2 | Confident | 88.5 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.7 | -31.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A70 D71 L72 T81 | A70-G74 PolarHBondContact O-N 2.76Å; D71-G74 PolarHBondContact O-N 3.45Å; L72-G74 PolarHBondContact O-N 3.34Å; G74-T81 PolarHBondContact O-N 2.94Å |
| 75 | Y | 86 | Confident | 88.2 | Confident | 83 Ų | 83 | 31.9 Ų | 31.9 | 33% | 0.325 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -74.9 | -46.9 | 170.8 | 175.3 | -102.9 | 0 | 0 | 0 | 112.2 | D71 L72 H73 D77 L79 T81 W83 | D71-Y75 PolarHBondContact O-N 3.05Å; D71-Y75 VanDerWaalsContact O-N 3.11Å; L72-Y75 WeakPolarHBondContact O-CB 3.28Å; L72-Y75 PolarHBondContact O-N 3.35Å; H73-Y75 VanDerWaalsContact C-N 3.25Å; H73-Y75 PolarHBondContact O-N 2.84Å; Y75-D77 VanDerWaalsContact C-N 3.34Å; Y75-D77 PolarHBondContact O-N 3.24Å; Y75-L79 HydrophobicContact CD2-CD2 3.65Å; Y75-L79 HydrophobicContact CE2-CD2 3.24Å; Y75-L79 HydrophobicContact CG-CD2 4.44Å; Y75-L79 WeakPolarHBondContact O-CA 3.42Å; Y75-L79 PolarHBondContact O-N 3.38Å; Y75-T81 WeakPolarHBondContact CA-O 3.44Å; Y75-W83 HydrophobicContact CD1-CE3 4.09Å; Y75-W83 HydrophobicContact CD1-CZ3 4.13Å; Y75-W83 HydrophobicContact CD2-CB 4.44Å; Y75-W83 AromaticContact CD2-CE3 3.91Å; Y75-W83 HydrophobicContact CD2-CE3 3.91Å; Y75-W83 HydrophobicContact CE1-CE3 4.28Å; Y75-W83 HydrophobicContact CE1-CZ3 4.43Å; Y75-W83 HydrophobicContact CE2-CB 4.32Å; Y75-W83 HydrophobicContact CE2-CE3 4.1Å; Y75-W83 AromaticContact CG-CE3 3.91Å; Y75-W83 HydrophobicContact CG-CE3 3.91Å; Y75-W83 HydrophobicContact CG-CZ3 4.28Å |
| 76 | L | 83.6 | Confident | 87.7 | Confident | 27 Ų | 27 | 32.3 Ų | 32.3 | 14% | 0.141 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.9 | -28.6 | -176.1 | -69.7 | 173.5 | 0 | 0 | 0 | 113.8 | L72 H73 S78 S158 L165 | L72-L76 HydrophobicContact CD1-CD1 4.48Å; L72-L76 HydrophobicContact CD1-CG 4.45Å; L72-L76 HydrophobicContact CG-CD1 3.94Å; L72-L76 HydrophobicContact CG-CG 4.35Å; L72-L76 WeakPolarHBondContact O-CB 3.32Å; L72-L76 VanDerWaalsContact O-CG 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.42Å; L72-L76 PolarHBondContact O-N 2.91Å; H73-L76 PolarHBondContact O-N 3.3Å; L76-S78 PolarHBondContact O-N 3.31Å; L76-S158 WeakPolarHBondContact O-CB 3.27Å; L76-S158 PolarHBondContact O-OG 3Å; L76-L165 HydrophobicContact CD1-CD1 3.24Å |
| 77 | D | 80.6 | Confident | 87.4 | Confident | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 70.9 | 175.7 | -173.4 | 12.8 | 0 | 0 | 0 | 111.4 | H73 Y75 L79 K80 K150 Y162 | H73-D77 WeakPolarHBondContact O-CB 3.36Å; H73-D77 PolarHBondContact O-N 2.83Å; Y75-D77 VanDerWaalsContact C-N 3.34Å; Y75-D77 PolarHBondContact O-N 3.24Å; D77-L79 VanDerWaalsContact C-N 3.35Å; D77-L79 PolarHBondContact O-N 3.39Å; D77-K80 HydrophobicContact CB-CD 4.37Å; D77-K80 WeakPolarHBondContact O-CB 3.48Å; D77-K80 WeakPolarHBondContact O-CG 3.2Å; D77-K80 PolarHBondContact O-N 3.47Å; D77-K80 IonicContact OD1-NZ 2.92Å; D77-K80 VanDerWaalsContact OD2-CD 3.3Å; D77-K80 WeakPolarHBondContact OD2-CD 3.47Å; D77-K80 WeakPolarHBondContact OD2-CE 3.28Å; D77-K80 IonicContact OD2-NZ 3.27Å; D77-K80 PolarHBondContact OD2-NZ 3.13Å; D77-K150 PolarHBondContact OD1-N 3.2Å; D77-K150 VanDerWaalsContact OD1-N 3.13Å; D77-Y162 HydrophobicContact CB-CD2 4.47Å; D77-Y162 HydrophobicContact CB-CE2 4.17Å |
| 78 | S | 72.8 | Confident | 87.2 | Confident | 32 Ų | 32 | 42.2 Ų | 42.2 | 22% | 0.224 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 41.4 | 176.2 | -54.1 | 0 | 0 | 0 | 0 | 114.4 | L76 K80 | L76-S78 PolarHBondContact O-N 3.31Å; S78-K80 PolarHBondContact O-N 3.44Å; S78-K80 VanDerWaalsContact O-N 3.09Å |
| 79 | L | 75 | Confident | 87 | Confident | 98 Ų | 98 | 42.8 Ų | 42.8 | 51% | 0.513 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 28.1 | 179.1 | -56.2 | 173.4 | 0 | 0 | 0 | 113.5 | Y75 D77 T81 | Y75-L79 HydrophobicContact CD2-CD2 3.65Å; Y75-L79 HydrophobicContact CE2-CD2 3.24Å; Y75-L79 HydrophobicContact CG-CD2 4.44Å; Y75-L79 WeakPolarHBondContact O-CA 3.42Å; Y75-L79 PolarHBondContact O-N 3.38Å; D77-L79 VanDerWaalsContact C-N 3.35Å; D77-L79 PolarHBondContact O-N 3.39Å; L79-T81 PolarHBondContact O-N 3.13Å |
| 80 | K | 77 | Confident | 86.9 | Confident | 83 Ų | 83 | 42.9 Ų | 42.9 | 36% | 0.361 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -52.8 | -31.9 | 175.5 | -83.8 | 176.8 | -170.4 | 175.6 | 0 | 111.4 | T41 D77 S78 R89 | T41-K80 HydrophobicContact CG2-CB 3.69Å; T41-K80 HydrophobicContact CG2-CD 3.89Å; T41-K80 HydrophobicContact CG2-CG 4.45Å; D77-K80 HydrophobicContact CB-CD 4.37Å; D77-K80 WeakPolarHBondContact O-CB 3.48Å; D77-K80 WeakPolarHBondContact O-CG 3.2Å; D77-K80 PolarHBondContact O-N 3.47Å; D77-K80 IonicContact OD1-NZ 2.92Å; D77-K80 VanDerWaalsContact OD2-CD 3.3Å; D77-K80 WeakPolarHBondContact OD2-CD 3.47Å; D77-K80 WeakPolarHBondContact OD2-CE 3.28Å; D77-K80 IonicContact OD2-NZ 3.27Å; D77-K80 PolarHBondContact OD2-NZ 3.13Å; S78-K80 PolarHBondContact O-N 3.44Å; S78-K80 VanDerWaalsContact O-N 3.09Å; K80-R89 PolarHBondContact O-NH1 3.26Å |
| 81 | T | 82 | Confident | 86.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -123 | 107.9 | 166.6 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | I40 G74 Y75 L79 L85 L86 R89 | I40-T81 HydrophobicContact CD1-CG2 4.27Å; I40-T81 PolarHBondContact O-OG1 2.88Å; G74-T81 PolarHBondContact O-N 2.94Å; Y75-T81 WeakPolarHBondContact CA-O 3.44Å; L79-T81 PolarHBondContact O-N 3.13Å; T81-L85 HydrophobicContact CG2-CB 4.03Å; T81-L86 HydrophobicContact CG2-CD2 3.6Å; T81-L86 HydrophobicContact CG2-CG 4.23Å; T81-R89 HydrophobicContact CG2-CB 4.4Å; T81-R89 HydrophobicContact CG2-CG 4.25Å; T81-R89 PolarHBondContact OG1-NH1 3.33Å |
| 82 | P | 85.2 | Confident | 87 | Confident | 44 Ų | 44 | 44.6 Ų | 44.6 | 29% | 0.286 | 21% | 0.207 | S | C | . | . | trans | -55.4 | 149.4 | 169.9 | -25 | 33.7 | 0 | 0 | 0 | 112 | E84 L85 L86 | P82-E84 VanDerWaalsContact C-N 3.3Å; P82-E84 PolarHBondContact O-N 2.79Å; P82-L85 HydrophobicContact CB-CG 4.48Å; P82-L85 HydrophobicContact CG-CD1 4.32Å; P82-L85 PolarHBondContact O-N 2.65Å; P82-L86 PolarHBondContact O-N 2.99Å | ||
| 83 | W | 86 | Confident | 87.2 | Confident | 128 Ų | 128 | 43.8 Ų | 43.8 | 49% | 0.485 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -54.7 | -44.4 | -174.4 | -164.5 | -94.7 | 0 | 0 | 0 | 112.8 | L72 Y75 L85 L86 | L72-W83 HydrophobicContact CD1-CH2 4.45Å; L72-W83 HydrophobicContact CD1-CZ3 4.06Å; Y75-W83 HydrophobicContact CD1-CE3 4.09Å; Y75-W83 HydrophobicContact CD1-CZ3 4.13Å; Y75-W83 HydrophobicContact CD2-CB 4.44Å; Y75-W83 AromaticContact CD2-CE3 3.91Å; Y75-W83 HydrophobicContact CD2-CE3 3.91Å; Y75-W83 HydrophobicContact CE1-CE3 4.28Å; Y75-W83 HydrophobicContact CE1-CZ3 4.43Å; Y75-W83 HydrophobicContact CE2-CB 4.32Å; Y75-W83 HydrophobicContact CE2-CE3 4.1Å; Y75-W83 AromaticContact CG-CE3 3.91Å; Y75-W83 HydrophobicContact CG-CE3 3.91Å; Y75-W83 HydrophobicContact CG-CZ3 4.28Å; W83-L85 PolarHBondContact O-N 2.75Å; W83-L85 VanDerWaalsContact O-N 3.12Å; W83-L86 HydrophobicContact CD2-CD1 3.72Å; W83-L86 HydrophobicContact CE3-CD1 3.5Å; W83-L86 VanDerWaalsContact CE3-CD1 3.5Å; W83-L86 HydrophobicContact CG-CD1 4.2Å; W83-L86 HydrophobicContact CZ3-CD1 3.92Å; W83-L86 WeakPolarHBondContact O-CB 3.49Å; W83-L86 WeakPolarHBondContact O-CG 3.46Å; W83-L86 PolarHBondContact O-N 3.38Å; W83-L86 VanDerWaalsContact O-N 3.12Å |
| 84 | E | 88.3 | Confident | 87.4 | Confident | 100 Ų | 100 | 45.8 Ų | 45.8 | 47% | 0.467 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55.8 | -30.3 | 177.5 | -7.8 | -79.4 | -176.7 | 0 | 0 | 113.1 | P82 S350 | P82-E84 VanDerWaalsContact C-N 3.3Å; P82-E84 PolarHBondContact O-N 2.79Å; E84-S350 VanDerWaalsContact OE1-CB 3.27Å; E84-S350 WeakPolarHBondContact OE1-CB 3.42Å; E84-S350 PolarHBondContact OE1-OG 2.71Å |
| 85 | L | 91 | Very high | 87.8 | Confident | 23 Ų | 23 | 47.2 Ų | 47.2 | 12% | 0.12 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -93.2 | -12 | -175.4 | -59.3 | -171.7 | 0 | 0 | 0 | 113.2 | T81 P82 W83 K87 Y88 R89 K337 P340 | T81-L85 HydrophobicContact CG2-CB 4.03Å; P82-L85 HydrophobicContact CB-CG 4.48Å; P82-L85 HydrophobicContact CG-CD1 4.32Å; P82-L85 PolarHBondContact O-N 2.65Å; W83-L85 PolarHBondContact O-N 2.75Å; W83-L85 VanDerWaalsContact O-N 3.12Å; L85-K87 PolarHBondContact O-N 2.92Å; L85-Y88 PolarHBondContact O-N 3.15Å; L85-R89 PolarHBondContact O-N 2.88Å; L85-K337 WeakPolarHBondContact CD2-O 3.3Å; L85-P340 HydrophobicContact CD1-CG 4.43Å |
| 86 | L | 88.9 | Confident | 88.2 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.5 | -51.7 | -175.6 | -70.3 | 175.4 | 0 | 0 | 0 | 111.4 | I40 D71 T81 P82 W83 Y88 R89 T90 | I40-L86 HydrophobicContact CD1-CB 4.39Å; I40-L86 HydrophobicContact CD1-CD2 3.74Å; I40-L86 WeakPolarHBondContact CD1-O 3.38Å; D71-L86 HydrophobicContact CB-CD2 4.22Å; D71-L86 WeakPolarHBondContact O-CD2 3.31Å; T81-L86 HydrophobicContact CG2-CD2 3.6Å; T81-L86 HydrophobicContact CG2-CG 4.23Å; P82-L86 PolarHBondContact O-N 2.99Å; W83-L86 HydrophobicContact CD2-CD1 3.72Å; W83-L86 HydrophobicContact CE3-CD1 3.5Å; W83-L86 VanDerWaalsContact CE3-CD1 3.5Å; W83-L86 HydrophobicContact CG-CD1 4.2Å; W83-L86 HydrophobicContact CZ3-CD1 3.92Å; W83-L86 WeakPolarHBondContact O-CB 3.49Å; W83-L86 WeakPolarHBondContact O-CG 3.46Å; W83-L86 PolarHBondContact O-N 3.38Å; W83-L86 VanDerWaalsContact O-N 3.12Å; L86-Y88 VanDerWaalsContact C-N 3.34Å; L86-Y88 PolarHBondContact O-N 3.41Å; L86-R89 PolarHBondContact O-N 2.9Å; L86-T90 WeakPolarHBondContact O-CB 3.35Å; L86-T90 PolarHBondContact O-N 3.14Å; L86-T90 PolarHBondContact O-OG1 3.27Å |
| 87 | K | 91.8 | Very high | 88.6 | Confident | 137 Ų | 137 | 42 Ų | 42 | 60% | 0.596 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -57 | -46.3 | 179.8 | -178.7 | 178.7 | 178.6 | 178.3 | 0 | 112.2 | L85 N91 | L85-K87 PolarHBondContact O-N 2.92Å; K87-N91 WeakPolarHBondContact O-CB 3.46Å; K87-N91 PolarHBondContact O-N 2.86Å; K87-N91 PolarHBondContact O-ND2 3.04Å; K87-N91 PolarHBondContact O-OD1 2.91Å |
| 88 | Y | 94.2 | Very high | 89.2 | Confident | 82 Ų | 82 | 46.4 Ų | 46.4 | 32% | 0.322 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -70.7 | -41.7 | -176.7 | -59.4 | -65 | 0 | 0 | 0 | 111.7 | L85 L86 N91 Y92 L334 K337 | L85-Y88 PolarHBondContact O-N 3.15Å; L86-Y88 VanDerWaalsContact C-N 3.34Å; L86-Y88 PolarHBondContact O-N 3.41Å; Y88-N91 PolarHBondContact O-N 3.41Å; Y88-Y92 WeakPolarHBondContact O-CB 3.28Å; Y88-Y92 PolarHBondContact O-N 3.29Å; Y88-L334 HydrophobicContact CD1-CD1 4.31Å; Y88-K337 HydrophobicContact CD1-CB 3.81Å; Y88-K337 HydrophobicContact CD1-CD 4.15Å; Y88-K337 HydrophobicContact CD2-CB 4.26Å; Y88-K337 HydrophobicContact CE1-CB 4.16Å; Y88-K337 HydrophobicContact CE1-CD 3.75Å; Y88-K337 HydrophobicContact CG-CB 3.87Å |
| 89 | R | 94.7 | Very high | 90 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.9 | -41.4 | 176 | -68.6 | -162.3 | -171.9 | 167.4 | 2.8 | 112 | I40 T41 K80 T81 L85 L86 N91 Y92 Y93 A338 Y339 | I40-R89 HydrophobicContact CB-CB 4.25Å; I40-R89 HydrophobicContact CD1-CB 3.92Å; T41-R89 WeakPolarHBondContact O-CD 3.48Å; T41-R89 PolarHBondContact O-NH1 2.66Å; K80-R89 PolarHBondContact O-NH1 3.26Å; T81-R89 HydrophobicContact CG2-CB 4.4Å; T81-R89 HydrophobicContact CG2-CG 4.25Å; T81-R89 PolarHBondContact OG1-NH1 3.33Å; L85-R89 PolarHBondContact O-N 2.88Å; L86-R89 PolarHBondContact O-N 2.9Å; R89-N91 PolarHBondContact O-N 3.3Å; R89-Y92 PolarHBondContact O-N 3.05Å; R89-Y93 WeakPolarHBondContact O-CB 3.49Å; R89-Y93 VanDerWaalsContact O-CD2 3.3Å; R89-Y93 WeakPolarHBondContact O-CD2 3.46Å; R89-Y93 PolarHBondContact O-N 2.89Å; R89-A338 HydrophobicContact CG-CB 4.07Å; R89-A338 WeakPolarHBondContact CG-O 3.42Å; R89-A338 PolarHBondContact NE-O 3.39Å; R89-Y339 HydrophobicContact CG-CE1 4.4Å |
| 90 | T | 94.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.1 | -50.9 | 173.2 | -63.4 | 0 | 0 | 0 | 0 | 110.8 | I40 F69 L86 Y92 Y93 E94 R115 | I40-T90 VanDerWaalsContact CD1-OG1 3.26Å; I40-T90 WeakPolarHBondContact CD1-OG1 3.32Å; F69-T90 HydrophobicContact CB-CG2 3.94Å; F69-T90 HydrophobicContact CG-CG2 4.25Å; L86-T90 WeakPolarHBondContact O-CB 3.35Å; L86-T90 PolarHBondContact O-N 3.14Å; L86-T90 PolarHBondContact O-OG1 3.27Å; T90-Y92 VanDerWaalsContact C-N 3.31Å; T90-Y92 PolarHBondContact O-N 2.85Å; T90-Y93 PolarHBondContact O-N 2.91Å; T90-E94 VanDerWaalsContact O-CB 3.31Å; T90-E94 WeakPolarHBondContact O-CB 3.2Å; T90-E94 PolarHBondContact O-N 3.21Å; T90-R115 HydrophobicContact CG2-CG 3.87Å |
| 91 | N | 94.3 | Very high | 91.5 | Very high | 48 Ų | 48 | 37.1 Ų | 37.1 | 26% | 0.257 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.3 | -39.6 | 179 | -72.2 | -7.7 | 0 | 0 | 0 | 112.3 | K87 Y88 R89 A95 R115 L334 | K87-N91 WeakPolarHBondContact O-CB 3.46Å; K87-N91 PolarHBondContact O-N 2.86Å; K87-N91 PolarHBondContact O-ND2 3.04Å; K87-N91 PolarHBondContact O-OD1 2.91Å; Y88-N91 PolarHBondContact O-N 3.41Å; R89-N91 PolarHBondContact O-N 3.3Å; N91-A95 WeakPolarHBondContact O-CB 3.46Å; N91-A95 PolarHBondContact O-N 2.99Å; N91-A95 VanDerWaalsContact O-N 3.1Å; N91-R115 PolarHBondContact OD1-NH2 2.92Å; N91-L334 HydrophobicContact CB-CD1 3.95Å; N91-L334 HydrophobicContact CB-CD2 4.22Å |
| 92 | Y | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.9 | -48.8 | 175.9 | 172 | -103.4 | 0 | 0 | 0 | 111.9 | K43 P44 Y88 R89 T90 E94 A95 V96 F331 I335 Y339 | K43-Y92 HydrophobicContact CG-CE1 4.49Å; P44-Y92 HydrophobicContact CG-CE1 4.42Å; Y88-Y92 WeakPolarHBondContact O-CB 3.28Å; Y88-Y92 PolarHBondContact O-N 3.29Å; R89-Y92 PolarHBondContact O-N 3.05Å; T90-Y92 VanDerWaalsContact C-N 3.31Å; T90-Y92 PolarHBondContact O-N 2.85Å; Y92-E94 VanDerWaalsContact C-N 3.32Å; Y92-E94 PolarHBondContact O-N 3.42Å; Y92-A95 PolarHBondContact O-N 3.17Å; Y92-V96 HydrophobicContact CD1-CG2 4.37Å; Y92-V96 HydrophobicContact CD2-CG2 3.99Å; Y92-V96 HydrophobicContact CE1-CG2 4.06Å; Y92-V96 HydrophobicContact CE2-CG2 3.55Å; Y92-V96 HydrophobicContact CG-CG2 4.39Å; Y92-V96 WeakPolarHBondContact O-CB 3.39Å; Y92-V96 VanDerWaalsContact O-CG2 3.31Å; Y92-V96 WeakPolarHBondContact O-CG2 3.48Å; Y92-V96 PolarHBondContact O-N 2.87Å; Y92-F331 HydrophobicContact CD2-CE1 4.23Å; Y92-F331 AromaticContact CD2-CZ 3.84Å; Y92-F331 HydrophobicContact CD2-CZ 3.84Å; Y92-F331 HydrophobicContact CE2-CE1 4.07Å; Y92-F331 HydrophobicContact CE2-CZ 4.01Å; Y92-I335 HydrophobicContact CD2-CG1 3.86Å; Y92-I335 HydrophobicContact CE2-CD1 4.37Å; Y92-I335 HydrophobicContact CE2-CG1 3.62Å; Y92-Y339 HydrophobicContact CD1-CD2 4.49Å; Y92-Y339 AromaticContact CD1-CE2 3.38Å; Y92-Y339 HydrophobicContact CD1-CE2 3.38Å; Y92-Y339 AromaticContact CD1-CZ 3.93Å; Y92-Y339 HydrophobicContact CE1-CD2 4.44Å; Y92-Y339 AromaticContact CE1-CE2 3.46Å; Y92-Y339 HydrophobicContact CE1-CE2 3.46Å; Y92-Y339 VanDerWaalsContact CE1-CE2 3.46Å; Y92-Y339 AromaticContact CE1-CZ 3.97Å; Y92-Y339 AromaticContact CG-CE2 3.99Å; Y92-Y339 HydrophobicContact CG-CE2 3.99Å |
| 93 | Y | 95.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.1 | -43.5 | 176.6 | -95.6 | -105.3 | 0 | 0 | 0 | 111.8 | T38 A39 I40 T41 G42 P44 Y48 R89 T90 V96 I97 Y339 | T38-Y93 HydrophobicContact CG2-CD1 4.16Å; A39-Y93 PolarHBondContact O-OH 2.79Å; A39-Y93 VanDerWaalsContact O-OH 3.13Å; I40-Y93 HydrophobicContact CB-CD2 3.96Å; I40-Y93 HydrophobicContact CB-CE2 4.07Å; I40-Y93 HydrophobicContact CB-CG 4.3Å; I40-Y93 HydrophobicContact CG2-CD1 4.12Å; I40-Y93 HydrophobicContact CG2-CD2 3.91Å; I40-Y93 HydrophobicContact CG2-CE2 4.4Å; I40-Y93 HydrophobicContact CG2-CG 3.75Å; T41-Y93 PolarHBondContact N-OH 2.97Å; T41-Y93 VanDerWaalsContact N-OH 3.13Å; G42-Y93 VanDerWaalsContact O-CE2 3.24Å; G42-Y93 WeakPolarHBondContact O-CE2 3.39Å; G42-Y93 PolarHBondContact O-OH 2.67Å; P44-Y93 HydrophobicContact CG-CD1 3.95Å; P44-Y93 HydrophobicContact CG-CD2 4.36Å; P44-Y93 HydrophobicContact CG-CE1 3.71Å; P44-Y93 HydrophobicContact CG-CE2 4.14Å; P44-Y93 HydrophobicContact CG-CG 4.29Å; Y48-Y93 HydrophobicContact CE1-CD1 4.47Å; Y48-Y93 AromaticContact CE1-CE1 3.92Å; Y48-Y93 HydrophobicContact CE1-CE1 3.92Å; Y48-Y93 AromaticContact CZ-CE1 3.98Å; Y48-Y93 WeakPolarHBondContact OH-CE1 3.29Å; Y48-Y93 PolarHBondContact OH-OH 3.17Å; R89-Y93 WeakPolarHBondContact O-CB 3.49Å; R89-Y93 VanDerWaalsContact O-CD2 3.3Å; R89-Y93 WeakPolarHBondContact O-CD2 3.46Å; R89-Y93 PolarHBondContact O-N 2.89Å; T90-Y93 PolarHBondContact O-N 2.91Å; Y93-V96 PolarHBondContact O-N 2.95Å; Y93-I97 HydrophobicContact CD1-CD1 4.12Å; Y93-I97 VanDerWaalsContact O-CB 3.31Å; Y93-I97 WeakPolarHBondContact O-CB 3.37Å; Y93-I97 WeakPolarHBondContact O-CG1 3.5Å; Y93-I97 PolarHBondContact O-N 3.08Å; Y93-Y339 VanDerWaalsContact CE2-OH 3.23Å; Y93-Y339 WeakPolarHBondContact CE2-OH 3.29Å |
| 94 | E | 94.8 | Very high | 91.5 | Very high | 45 Ų | 45 | 35.1 Ų | 35.1 | 21% | 0.21 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.3 | -48.1 | 178.6 | -168.6 | -176.1 | 148.2 | 0 | 0 | 111.5 | F69 T90 Y92 R98 F113 R115 | F69-E94 HydrophobicContact CE1-CB 4.13Å; F69-E94 HydrophobicContact CE2-CB 4.05Å; F69-E94 HydrophobicContact CE2-CG 3.84Å; F69-E94 VanDerWaalsContact CZ-CA 3.43Å; F69-E94 HydrophobicContact CZ-CB 3.77Å; F69-E94 HydrophobicContact CZ-CG 3.84Å; T90-E94 VanDerWaalsContact O-CB 3.31Å; T90-E94 WeakPolarHBondContact O-CB 3.2Å; T90-E94 PolarHBondContact O-N 3.21Å; Y92-E94 VanDerWaalsContact C-N 3.32Å; Y92-E94 PolarHBondContact O-N 3.42Å; E94-R98 VanDerWaalsContact O-CB 3.3Å; E94-R98 WeakPolarHBondContact O-CB 3.31Å; E94-R98 PolarHBondContact O-N 2.92Å; E94-F113 HydrophobicContact CG-CD2 3.39Å; E94-F113 HydrophobicContact CG-CE2 3.73Å; E94-F113 HydrophobicContact CG-CG 4.3Å; E94-R115 IonicContact OE2-CZ 2.77Å; E94-R115 IonicContact OE2-NE 3.43Å; E94-R115 IonicContact OE2-NH2 3.64Å; E94-R115 PolarHBondContact OE2-NH2 3.28Å |
| 95 | A | 93.1 | Very high | 91.3 | Very high | 30 Ų | 30 | 37.9 Ų | 37.9 | 25% | 0.248 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.7 | -43.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N91 Y92 R98 M99 F331 | N91-A95 WeakPolarHBondContact O-CB 3.46Å; N91-A95 PolarHBondContact O-N 2.99Å; N91-A95 VanDerWaalsContact O-N 3.1Å; Y92-A95 PolarHBondContact O-N 3.17Å; A95-R98 PolarHBondContact O-N 3.02Å; A95-M99 WeakPolarHBondContact O-CG 3.31Å; A95-M99 PolarHBondContact O-N 3.1Å; A95-F331 HydrophobicContact CB-CD2 4.46Å; A95-F331 HydrophobicContact CB-CE2 3.44Å; A95-F331 VanDerWaalsContact CB-CE2 3.44Å; A95-F331 HydrophobicContact CB-CZ 4.07Å |
| 96 | V | 92.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.6 | -48.4 | 178.2 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | P44 Y92 Y93 R98 M99 L100 L230 F331 | P44-V96 HydrophobicContact CB-CG1 4.28Å; P44-V96 HydrophobicContact CG-CG1 4.37Å; Y92-V96 HydrophobicContact CD1-CG2 4.37Å; Y92-V96 HydrophobicContact CD2-CG2 3.99Å; Y92-V96 HydrophobicContact CE1-CG2 4.06Å; Y92-V96 HydrophobicContact CE2-CG2 3.55Å; Y92-V96 HydrophobicContact CG-CG2 4.39Å; Y92-V96 WeakPolarHBondContact O-CB 3.39Å; Y92-V96 VanDerWaalsContact O-CG2 3.31Å; Y92-V96 WeakPolarHBondContact O-CG2 3.48Å; Y92-V96 PolarHBondContact O-N 2.87Å; Y93-V96 PolarHBondContact O-N 2.95Å; V96-R98 VanDerWaalsContact C-N 3.3Å; V96-R98 PolarHBondContact O-N 3.5Å; V96-M99 HydrophobicContact CG2-CE 4.11Å; V96-M99 PolarHBondContact O-N 3.41Å; V96-L100 HydrophobicContact CG1-CD1 3.98Å; V96-L100 HydrophobicContact CG1-CG 4.27Å; V96-L100 VanDerWaalsContact O-CG 3.29Å; V96-L100 WeakPolarHBondContact O-CG 3.19Å; V96-L100 PolarHBondContact O-N 3.43Å; V96-L230 HydrophobicContact CG1-CD1 3.35Å; V96-F331 HydrophobicContact CG2-CZ 4.15Å |
| 97 | I | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.1 | -37.8 | 179.8 | -75.8 | 161.9 | 0 | 0 | 0 | 111.1 | W36 T38 I67 F69 Y93 L100 L101 F113 | W36-I97 HydrophobicContact CH2-CD1 3.98Å; W36-I97 HydrophobicContact CZ3-CD1 3.77Å; W36-I97 HydrophobicContact CZ3-CG1 4.41Å; T38-I97 HydrophobicContact CG2-CD1 3.81Å; I67-I97 HydrophobicContact CD1-CG2 3.62Å; F69-I97 HydrophobicContact CE1-CD1 3.74Å; F69-I97 HydrophobicContact CZ-CD1 4.5Å; Y93-I97 HydrophobicContact CD1-CD1 4.12Å; Y93-I97 VanDerWaalsContact O-CB 3.31Å; Y93-I97 WeakPolarHBondContact O-CB 3.37Å; Y93-I97 WeakPolarHBondContact O-CG1 3.5Å; Y93-I97 PolarHBondContact O-N 3.08Å; I97-L100 PolarHBondContact O-N 3.11Å; I97-L101 HydrophobicContact CG2-CD1 3.84Å; I97-L101 WeakPolarHBondContact O-CG 3.39Å; I97-L101 PolarHBondContact O-N 3.1Å; I97-F113 HydrophobicContact CG2-CZ 4.37Å |
| 98 | R | 92.2 | Very high | 90.9 | Very high | 98 Ų | 98 | 35.8 Ų | 35.8 | 37% | 0.37 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58 | -49.5 | 172 | -173.9 | 179.4 | -63.8 | -77.7 | 1.1 | 111.5 | E94 A95 V96 L100 L101 E102 F113 | E94-R98 VanDerWaalsContact O-CB 3.3Å; E94-R98 WeakPolarHBondContact O-CB 3.31Å; E94-R98 PolarHBondContact O-N 2.92Å; A95-R98 PolarHBondContact O-N 3.02Å; V96-R98 VanDerWaalsContact C-N 3.3Å; V96-R98 PolarHBondContact O-N 3.5Å; R98-L100 PolarHBondContact O-N 2.81Å; R98-L101 PolarHBondContact O-N 3.11Å; R98-E102 WeakPolarHBondContact CG-OE1 3.4Å; R98-E102 WeakPolarHBondContact O-CG 3.39Å; R98-E102 PolarHBondContact O-N 3.01Å; R98-F113 HydrophobicContact CB-CE2 4.17Å; R98-F113 HydrophobicContact CB-CZ 4.31Å; R98-F113 VanDerWaalsContact NH2-CE2 3.28Å |
| 99 | M | 90.9 | Very high | 90.8 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 9% | 0.094 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 177 | -70.3 | -175.3 | -72.7 | 0 | 0 | 112.3 | A95 V96 L101 E102 T103 I322 K325 F331 | A95-M99 WeakPolarHBondContact O-CG 3.31Å; A95-M99 PolarHBondContact O-N 3.1Å; V96-M99 HydrophobicContact CG2-CE 4.11Å; V96-M99 PolarHBondContact O-N 3.41Å; M99-L101 VanDerWaalsContact C-N 3.28Å; M99-L101 PolarHBondContact O-N 3.3Å; M99-E102 PolarHBondContact O-N 3.35Å; M99-T103 WeakPolarHBondContact O-CG2 3.43Å; M99-T103 PolarHBondContact O-N 3.07Å; M99-T103 VanDerWaalsContact O-N 3.08Å; M99-I322 HydrophobicContact CB-CG1 4.13Å; M99-I322 HydrophobicContact CE-CG2 4.04Å; M99-I322 HydrophobicContact SD-CG1 4.36Å; M99-K325 HydrophobicContact CE-CB 4.33Å; M99-K325 HydrophobicContact CE-CG 4.16Å; M99-K325 HydrophobicContact SD-CB 3.46Å; M99-K325 WeakPolarHBondContact SD-CB 3.3Å; M99-K325 HydrophobicContact SD-CG 3.53Å; M99-K325 VanDerWaalsContact SD-CG 3.53Å; M99-F331 HydrophobicContact CE-CE1 4.21Å; M99-F331 HydrophobicContact CE-CE2 4.47Å; M99-F331 HydrophobicContact CE-CZ 3.81Å |
| 100 | L | 91.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.3 | -40.9 | 176.3 | -67.1 | 173.1 | 0 | 0 | 0 | 111.2 | F49 V52 V96 I97 R98 T103 A104 L230 I322 | F49-L100 HydrophobicContact CD1-CD2 4.15Å; F49-L100 HydrophobicContact CD2-CD2 4.08Å; F49-L100 HydrophobicContact CE1-CD2 3.59Å; F49-L100 HydrophobicContact CE2-CD2 3.49Å; F49-L100 VanDerWaalsContact CE2-CD2 3.49Å; F49-L100 HydrophobicContact CG-CD2 4.38Å; F49-L100 HydrophobicContact CZ-CD2 3.23Å; V52-L100 HydrophobicContact CG1-CB 4.05Å; V52-L100 HydrophobicContact CG2-CB 3.93Å; V52-L100 HydrophobicContact CG2-CD1 4.1Å; V96-L100 HydrophobicContact CG1-CD1 3.98Å; V96-L100 HydrophobicContact CG1-CG 4.27Å; V96-L100 VanDerWaalsContact O-CG 3.29Å; V96-L100 WeakPolarHBondContact O-CG 3.19Å; V96-L100 PolarHBondContact O-N 3.43Å; I97-L100 PolarHBondContact O-N 3.11Å; R98-L100 PolarHBondContact O-N 2.81Å; L100-T103 PolarHBondContact O-N 3.11Å; L100-T103 PolarHBondContact O-OG1 2.88Å; L100-A104 PolarHBondContact O-N 3.17Å; L100-L230 HydrophobicContact CD1-CD1 4.23Å; L100-L230 HydrophobicContact CD2-CD1 4.3Å; L100-L230 HydrophobicContact CD2-CD2 4.22Å; L100-I322 HydrophobicContact CD2-CD1 3.62Å; L100-I322 HydrophobicContact CG-CD1 4.34Å |
| 101 | L | 90.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.5 | -35.9 | 177.5 | -72.7 | 163.8 | 0 | 0 | 0 | 112.8 | V52 I55 L59 I67 I97 R98 M99 T103 A104 L108 L111 | V52-L101 HydrophobicContact CG1-CD2 3.88Å; V52-L101 HydrophobicContact CG1-CG 4.2Å; I55-L101 HydrophobicContact CB-CD2 4.14Å; I55-L101 HydrophobicContact CG2-CD1 4.47Å; I55-L101 HydrophobicContact CG2-CD2 3.5Å; L59-L101 HydrophobicContact CD1-CD2 4.47Å; I67-L101 HydrophobicContact CD1-CD1 3.95Å; I97-L101 HydrophobicContact CG2-CD1 3.84Å; I97-L101 WeakPolarHBondContact O-CG 3.39Å; I97-L101 PolarHBondContact O-N 3.1Å; R98-L101 PolarHBondContact O-N 3.11Å; M99-L101 VanDerWaalsContact C-N 3.28Å; M99-L101 PolarHBondContact O-N 3.3Å; L101-T103 VanDerWaalsContact C-N 3.29Å; L101-T103 PolarHBondContact O-N 3.42Å; L101-A104 WeakPolarHBondContact O-CB 3.45Å; L101-A104 PolarHBondContact O-N 2.93Å; L101-A104 VanDerWaalsContact O-N 3.08Å; L101-L108 HydrophobicContact CB-CD2 4.05Å; L101-L111 HydrophobicContact CD1-CD1 4.37Å; L101-L111 HydrophobicContact CD1-CD2 3.51Å |
| 102 | E | 88.5 | Confident | 91.1 | Very high | 106 Ų | 106 | 47.4 Ų | 47.4 | 50% | 0.495 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.4 | -37.6 | 173.7 | -72.7 | 167.2 | -177.3 | 0 | 0 | 111.5 | R98 M99 A104 K105 L108 | R98-E102 WeakPolarHBondContact CG-OE1 3.4Å; R98-E102 WeakPolarHBondContact O-CG 3.39Å; R98-E102 PolarHBondContact O-N 3.01Å; M99-E102 PolarHBondContact O-N 3.35Å; E102-A104 PolarHBondContact O-N 3.03Å; E102-K105 PolarHBondContact O-N 2.79Å; E102-K105 VanDerWaalsContact O-N 3.11Å; E102-L108 HydrophobicContact CG-CD1 4.28Å |
| 103 | T | 83.1 | Confident | 91.2 | Very high | 24 Ų | 24 | 49.3 Ų | 49.3 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.9 | -27.8 | 174.3 | 67.6 | 0 | 0 | 0 | 0 | 113.1 | F49 M99 L100 L101 K105 P321 | F49-T103 WeakPolarHBondContact CE1-OG1 3.31Å; M99-T103 WeakPolarHBondContact O-CG2 3.43Å; M99-T103 PolarHBondContact O-N 3.07Å; M99-T103 VanDerWaalsContact O-N 3.08Å; L100-T103 PolarHBondContact O-N 3.11Å; L100-T103 PolarHBondContact O-OG1 2.88Å; L101-T103 VanDerWaalsContact C-N 3.29Å; L101-T103 PolarHBondContact O-N 3.42Å; T103-K105 PolarHBondContact O-N 2.95Å; T103-P321 HydrophobicContact CG2-CG 4.41Å |
| 104 | A | 82.4 | Confident | 91.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -11.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A56 L100 L101 E102 V106 L267 N269 | A56-A104 HydrophobicContact CB-CB 3.82Å; L100-A104 PolarHBondContact O-N 3.17Å; L101-A104 WeakPolarHBondContact O-CB 3.45Å; L101-A104 PolarHBondContact O-N 2.93Å; L101-A104 VanDerWaalsContact O-N 3.08Å; E102-A104 PolarHBondContact O-N 3.03Å; A104-V106 VanDerWaalsContact C-N 3.32Å; A104-V106 HydrophobicContact CB-CG1 4.49Å; A104-V106 HydrophobicContact CB-CG2 4.31Å; A104-V106 PolarHBondContact O-N 2.75Å; A104-L267 HydrophobicContact CB-CD2 3.59Å; A104-N269 PolarHBondContact O-ND2 2.67Å; A104-N269 VanDerWaalsContact O-ND2 3.14Å |
| 105 | K | 83.9 | Confident | 91.4 | Very high | 158 Ų | 158 | 51.4 Ų | 51.4 | 69% | 0.687 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 44.4 | 178.5 | -58 | -179.9 | -178.1 | 178.1 | 0 | 112.9 | E102 T103 | E102-K105 PolarHBondContact O-N 2.79Å; E102-K105 VanDerWaalsContact O-N 3.11Å; T103-K105 PolarHBondContact O-N 2.95Å |
| 106 | V | 83.2 | Confident | 91.5 | Very high | 14 Ų | 14 | 50 Ų | 50 | 9% | 0.085 | 23% | 0.229 | C | C | . | . | trans | -108.1 | 150.4 | 177.5 | -67.5 | 0 | 0 | 0 | 0 | 112 | A56 L59 K60 A104 L108 | A56-V106 HydrophobicContact CB-CG1 3.76Å; A56-V106 HydrophobicContact CB-CG2 4.08Å; L59-V106 HydrophobicContact CB-CB 4.47Å; L59-V106 HydrophobicContact CB-CG2 4.46Å; L59-V106 HydrophobicContact CD1-CG2 3.86Å; K60-V106 HydrophobicContact CD-CG1 4.11Å; K60-V106 VanDerWaalsContact CE-CG1 3.42Å; K60-V106 HydrophobicContact CG-CG1 3.82Å; A104-V106 VanDerWaalsContact C-N 3.32Å; A104-V106 HydrophobicContact CB-CG1 4.49Å; A104-V106 HydrophobicContact CB-CG2 4.31Å; A104-V106 PolarHBondContact O-N 2.75Å; V106-L108 HydrophobicContact CG2-CD2 3.95Å; V106-L108 WeakPolarHBondContact O-CD2 3.44Å; V106-L108 PolarHBondContact O-N 2.89Å | ||
| 107 | P | 87.2 | Confident | 91.5 | Very high | 70 Ų | 70 | 52 Ų | 52 | 46% | 0.455 | 24% | 0.241 | S | C | . | . | trans | -61.5 | 132.7 | 173.1 | -16.7 | 29.6 | 0 | 0 | 0 | 110.9 | E109 | P107-E109 WeakPolarHBondContact CA-OE2 3.31Å; P107-E109 WeakPolarHBondContact CB-OE2 3.43Å | ||
| 108 | L | 92.1 | Very high | 91.7 | Very high | 42 Ų | 42 | 57.2 Ų | 57.2 | 22% | 0.22 | 27% | 0.269 | C | S | . | . | trans | -108 | 7 | -174.4 | -54.7 | -175.2 | 0 | 0 | 0 | 113 | L59 L101 E102 V106 K110 L111 | L59-L108 HydrophobicContact CD1-CD2 3.98Å; L101-L108 HydrophobicContact CB-CD2 4.05Å; E102-L108 HydrophobicContact CG-CD1 4.28Å; V106-L108 HydrophobicContact CG2-CD2 3.95Å; V106-L108 WeakPolarHBondContact O-CD2 3.44Å; V106-L108 PolarHBondContact O-N 2.89Å; L108-K110 PolarHBondContact O-N 3.23Å; L108-L111 HydrophobicContact CB-CB 4.44Å; L108-L111 HydrophobicContact CB-CD2 4.45Å; L108-L111 HydrophobicContact CD2-CD2 4.12Å; L108-L111 VanDerWaalsContact O-CB 3.28Å; L108-L111 WeakPolarHBondContact O-CB 3.28Å; L108-L111 PolarHBondContact O-N 3.08Å | ||
| 109 | E | 93.4 | Very high | 91.9 | Very high | 159 Ų | 159 | 53.9 Ų | 53.9 | 74% | 0.743 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -26.8 | -173 | -54.6 | 73 | -156.5 | 0 | 0 | 112.2 | P107 | P107-E109 WeakPolarHBondContact CA-OE2 3.31Å; P107-E109 WeakPolarHBondContact CB-OE2 3.43Å |
| 110 | K | 95.3 | Very high | 92.3 | Very high | 80 Ų | 80 | 53.2 Ų | 53.2 | 35% | 0.348 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 11 | 176.7 | -66.2 | -171.8 | 176 | 176.7 | 0 | 113.5 | N31 L59 S62 C63 V65 L108 | N31-K110 PolarHBondContact ND2-NZ 3.42Å; N31-K110 VanDerWaalsContact ND2-NZ 3.11Å; L59-K110 HydrophobicContact CD2-CB 4.32Å; S62-K110 WeakPolarHBondContact O-CD 3.43Å; S62-K110 PolarHBondContact O-NZ 3.4Å; C63-K110 WeakPolarHBondContact O-CB 3.42Å; V65-K110 PolarHBondContact N-O 2.93Å; L108-K110 PolarHBondContact O-N 3.23Å |
| 111 | L | 96.7 | Very high | 92.5 | Very high | 26 Ų | 26 | 58.3 Ų | 58.3 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 126 | 175.6 | -178.6 | 68.6 | 0 | 0 | 0 | 109.9 | L59 V65 I67 L101 L108 F113 | L59-L111 HydrophobicContact CD2-CB 4.19Å; V65-L111 HydrophobicContact CB-CD1 4.15Å; V65-L111 HydrophobicContact CG1-CD1 4.05Å; V65-L111 CarbonylContact O-C 3.57Å; V65-L111 WeakPolarHBondContact O-CA 3.3Å; I67-L111 HydrophobicContact CD1-CD1 3.91Å; I67-L111 HydrophobicContact CG1-CD1 3.91Å; L101-L111 HydrophobicContact CD1-CD1 4.37Å; L101-L111 HydrophobicContact CD1-CD2 3.51Å; L108-L111 HydrophobicContact CB-CB 4.44Å; L108-L111 HydrophobicContact CB-CD2 4.45Å; L108-L111 HydrophobicContact CD2-CD2 4.12Å; L108-L111 VanDerWaalsContact O-CB 3.28Å; L108-L111 WeakPolarHBondContact O-CB 3.28Å; L108-L111 PolarHBondContact O-N 3.08Å; L111-F113 HydrophobicContact CD1-CE1 4.04Å; L111-F113 HydrophobicContact CD2-CD1 4.49Å; L111-F113 HydrophobicContact CD2-CE1 3.59Å; L111-F113 HydrophobicContact CD2-CZ 3.89Å; L111-F113 HydrophobicContact CG-CD1 4.24Å; L111-F113 HydrophobicContact CG-CE1 3.76Å; L111-F113 HydrophobicContact CG-CZ 4.49Å |
| 112 | R | 96.9 | Very high | 92.8 | Very high | 123 Ų | 123 | 60.5 Ų | 60.5 | 46% | 0.464 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.8 | 172.7 | -176 | -179.5 | 66.5 | 176.1 | 0.7 | 110.7 | V65 T66 I67 V114 | V65-R112 PolarHBondContact O-N 3.38Å; T66-R112 CarbonylContact C-O 3.58Å; T66-R112 WeakPolarHBondContact CA-O 3.45Å; T66-R112 PolarHBondContact OG1-NE 2.88Å; T66-R112 PolarHBondContact OG1-NH2 3.09Å; T66-R112 VanDerWaalsContact OG1-NH2 3.15Å; I67-R112 PolarHBondContact N-O 3.46Å; R112-V114 HydrophobicContact CG-CG2 4.06Å |
| 113 | F | 97.2 | Very high | 93.3 | Very high | 39 Ų | 39 | 63.6 Ų | 63.6 | 17% | 0.171 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 132.4 | 172.5 | -72.8 | -7.7 | 0 | 0 | 0 | 109.7 | I67 F69 E94 I97 R98 L111 | I67-F113 HydrophobicContact CB-CD1 3.92Å; I67-F113 HydrophobicContact CB-CE1 4.12Å; I67-F113 HydrophobicContact CD1-CE1 3.91Å; I67-F113 HydrophobicContact CG1-CD1 4.48Å; I67-F113 HydrophobicContact CG1-CE1 4.28Å; F69-F113 HydrophobicContact CE2-CB 3.74Å; F69-F113 HydrophobicContact CE2-CD1 4.04Å; F69-F113 HydrophobicContact CE2-CD2 4.08Å; F69-F113 AromaticContact CE2-CG 3.68Å; F69-F113 HydrophobicContact CE2-CG 3.68Å; F69-F113 HydrophobicContact CZ-CD1 4.24Å; F69-F113 HydrophobicContact CZ-CD2 4.29Å; F69-F113 HydrophobicContact CZ-CE1 4.48Å; F69-F113 HydrophobicContact CZ-CE2 4.5Å; F69-F113 HydrophobicContact CZ-CG 4.14Å; E94-F113 HydrophobicContact CG-CD2 3.39Å; E94-F113 HydrophobicContact CG-CE2 3.73Å; E94-F113 HydrophobicContact CG-CG 4.3Å; I97-F113 HydrophobicContact CG2-CZ 4.37Å; R98-F113 HydrophobicContact CB-CE2 4.17Å; R98-F113 HydrophobicContact CB-CZ 4.31Å; R98-F113 VanDerWaalsContact NH2-CE2 3.28Å; L111-F113 HydrophobicContact CD1-CE1 4.04Å; L111-F113 HydrophobicContact CD2-CD1 4.49Å; L111-F113 HydrophobicContact CD2-CE1 3.59Å; L111-F113 HydrophobicContact CD2-CZ 3.89Å; L111-F113 HydrophobicContact CG-CD1 4.24Å; L111-F113 HydrophobicContact CG-CE1 3.76Å; L111-F113 HydrophobicContact CG-CZ 4.49Å |
| 114 | V | 97.6 | Very high | 94 | Very high | 17 Ų | 17 | 67.4 Ų | 67.4 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 140.9 | 179.6 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | T66 I67 L68 F69 R112 Y119 L173 | T66-V114 HydrophobicContact CG2-CB 4.17Å; T66-V114 HydrophobicContact CG2-CG2 3.68Å; I67-V114 PolarHBondContact O-N 2.92Å; L68-V114 CarbonylContact C-O 3.56Å; L68-V114 WeakPolarHBondContact CA-O 3.47Å; L68-V114 HydrophobicContact CD1-CB 4.43Å; L68-V114 HydrophobicContact CD1-CG1 4.22Å; F69-V114 PolarHBondContact N-O 3.4Å; R112-V114 HydrophobicContact CG-CG2 4.06Å; V114-Y119 HydrophobicContact CG1-CD1 4.01Å; V114-Y119 HydrophobicContact CG1-CE1 3.8Å; V114-L173 HydrophobicContact CB-CD2 4.27Å; V114-L173 HydrophobicContact CG1-CD2 3.92Å; V114-L173 HydrophobicContact CG2-CD2 4.33Å |
| 115 | R | 96.2 | Very high | 94.7 | Very high | 73 Ų | 73 | 67.4 Ų | 67.4 | 28% | 0.275 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 142.2 | 173.7 | -51 | 172.6 | 176.6 | -166.6 | -9.3 | 108.5 | T90 N91 E94 T117 D118 | T90-R115 HydrophobicContact CG2-CG 3.87Å; N91-R115 PolarHBondContact OD1-NH2 2.92Å; E94-R115 IonicContact OE2-CZ 2.77Å; E94-R115 IonicContact OE2-NE 3.43Å; E94-R115 IonicContact OE2-NH2 3.64Å; E94-R115 PolarHBondContact OE2-NH2 3.28Å; R115-T117 VanDerWaalsContact C-N 3.27Å; R115-T117 PolarHBondContact O-N 2.93Å; R115-D118 WeakPolarHBondContact CB-OD2 3.17Å; R115-D118 PolarHBondContact N-OD2 2.9Å; R115-D118 VanDerWaalsContact O-CB 3.27Å; R115-D118 WeakPolarHBondContact O-CB 3.17Å; R115-D118 PolarHBondContact O-N 2.91Å |
| 116 | G | 95.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -56.7 | -45.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F69 D71 D118 Y119 Q120 | F69-G116 PolarHBondContact O-N 3.26Å; D71-G116 VanDerWaalsContact OD1-CA 3.25Å; D71-G116 WeakPolarHBondContact OD1-CA 3.39Å; D71-G116 PolarHBondContact OD1-N 3.42Å; G116-D118 PolarHBondContact O-N 3.49Å; G116-Y119 PolarHBondContact O-N 3.48Å; G116-Q120 VanDerWaalsContact CA-CD 3.45Å; G116-Q120 WeakPolarHBondContact O-CB 3.34Å; G116-Q120 WeakPolarHBondContact O-CG 3.26Å; G116-Q120 PolarHBondContact O-N 3.03Å |
| 117 | T | 94.3 | Very high | 96.1 | Very high | 45 Ų | 45 | 65.7 Ų | 65.7 | 28% | 0.276 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -60.6 | -15.6 | 177.3 | 54.2 | 0 | 0 | 0 | 0 | 115.1 | D71 L72 R115 Y119 | D71-T117 PolarHBondContact OD1-N 3.38Å; D71-T117 WeakPolarHBondContact OD2-CB 3.44Å; D71-T117 WeakPolarHBondContact OD2-CG2 3.36Å; D71-T117 PolarHBondContact OD2-OG1 2.86Å; L72-T117 HydrophobicContact CB-CG2 4.45Å; R115-T117 VanDerWaalsContact C-N 3.27Å; R115-T117 PolarHBondContact O-N 2.93Å; T117-Y119 VanDerWaalsContact C-N 3.26Å; T117-Y119 PolarHBondContact O-N 2.69Å |
| 118 | D | 95.7 | Very high | 96.6 | Very high | 108 Ų | 108 | 62.6 Ų | 62.6 | 58% | 0.578 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -67 | -26.2 | 177.5 | -63.8 | -26.3 | 0 | 0 | 0 | 112.5 | R115 G116 | R115-D118 WeakPolarHBondContact CB-OD2 3.17Å; R115-D118 PolarHBondContact N-OD2 2.9Å; R115-D118 VanDerWaalsContact O-CB 3.27Å; R115-D118 WeakPolarHBondContact O-CB 3.17Å; R115-D118 PolarHBondContact O-N 2.91Å; G116-D118 PolarHBondContact O-N 3.49Å |
| 119 | Y | 97.8 | Very high | 96.9 | Very high | 29 Ų | 29 | 61.9 Ų | 61.9 | 11% | 0.114 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -141.1 | -22.5 | -176.6 | 69.5 | -85.8 | 0 | 0 | 0 | 115 | L68 V114 G116 T117 L121 S122 Y125 D169 Y172 L173 | L68-Y119 HydrophobicContact CD1-CE1 3.94Å; V114-Y119 HydrophobicContact CG1-CD1 4.01Å; V114-Y119 HydrophobicContact CG1-CE1 3.8Å; G116-Y119 PolarHBondContact O-N 3.48Å; T117-Y119 VanDerWaalsContact C-N 3.26Å; T117-Y119 PolarHBondContact O-N 2.69Å; Y119-L121 PolarHBondContact O-N 2.85Å; Y119-L121 VanDerWaalsContact O-N 3.09Å; Y119-S122 WeakPolarHBondContact O-CB 3.34Å; Y119-S122 PolarHBondContact O-N 3.29Å; Y119-S122 PolarHBondContact O-OG 3.27Å; Y119-Y125 AromaticContact CD2-CD2 3.78Å; Y119-Y125 HydrophobicContact CD2-CD2 3.78Å; Y119-Y125 HydrophobicContact CD2-CE2 4.06Å; Y119-Y125 AromaticContact CE2-CD2 3.82Å; Y119-Y125 HydrophobicContact CE2-CD2 3.82Å; Y119-Y125 AromaticContact CE2-CE2 3.61Å; Y119-Y125 HydrophobicContact CE2-CE2 3.61Å; Y119-D169 WeakPolarHBondContact CE2-OD1 3.33Å; Y119-D169 PolarHBondContact OH-OD1 3.01Å; Y119-Y172 HydrophobicContact CD2-CD1 4.23Å; Y119-Y172 HydrophobicContact CD2-CG 4.22Å; Y119-Y172 HydrophobicContact CE2-CG 4.42Å; Y119-L173 HydrophobicContact CE1-CD2 3.84Å |
| 120 | Q | 97.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 61 Ų | 61 | 2% | 0.023 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -11.9 | -174.9 | -67.7 | 174.3 | -23.5 | 0 | 0 | 113.7 | L72 H73 G116 Y125 D169 | L72-Q120 HydrophobicContact CD2-CB 3.93Å; H73-Q120 PolarHBondContact CE1-NE2 3.46Å; H73-Q120 VanDerWaalsContact CE1-NE2 3.32Å; G116-Q120 VanDerWaalsContact CA-CD 3.45Å; G116-Q120 WeakPolarHBondContact O-CB 3.34Å; G116-Q120 WeakPolarHBondContact O-CG 3.26Å; G116-Q120 PolarHBondContact O-N 3.03Å; Q120-Y125 HydrophobicContact CB-CD1 4.13Å; Q120-Y125 HydrophobicContact CB-CE1 3.82Å; Q120-Y125 HydrophobicContact CG-CE1 3.95Å; Q120-Y125 HydrophobicContact CG-CE2 4.03Å; Q120-Y125 WeakPolarHBondContact O-CD1 3.25Å; Q120-D169 VanDerWaalsContact NE2-CG 3.27Å; Q120-D169 PolarHBondContact NE2-OD1 3.49Å; Q120-D169 PolarHBondContact NE2-OD2 3.44Å |
| 121 | L | 96.2 | Very high | 97.2 | Very high | 107 Ų | 107 | 61.8 Ų | 61.8 | 56% | 0.56 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 3.1 | 174.7 | -56.4 | 179.2 | 0 | 0 | 0 | 112.7 | L72 Y119 | L72-L121 HydrophobicContact CD2-CD2 4.05Å; Y119-L121 PolarHBondContact O-N 2.85Å; Y119-L121 VanDerWaalsContact O-N 3.09Å |
| 122 | S | 98.1 | Very high | 97.2 | Very high | 45 Ų | 45 | 60.5 Ų | 60.5 | 32% | 0.315 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -68 | 156.9 | 177.4 | 70 | 0 | 0 | 0 | 0 | 111.4 | Y119 D124 Y125 T126 | Y119-S122 WeakPolarHBondContact O-CB 3.34Å; Y119-S122 PolarHBondContact O-N 3.29Å; Y119-S122 PolarHBondContact O-OG 3.27Å; S122-D124 VanDerWaalsContact C-N 3.32Å; S122-D124 PolarHBondContact O-N 2.84Å; S122-Y125 PolarHBondContact O-N 2.9Å; S122-Y125 VanDerWaalsContact OG-CB 3.31Å; S122-Y125 WeakPolarHBondContact OG-CB 3.2Å; S122-Y125 PolarHBondContact OG-N 2.93Å; S122-T126 VanDerWaalsContact O-CB 3.32Å; S122-T126 WeakPolarHBondContact O-CB 3.47Å; S122-T126 PolarHBondContact O-N 3.38Å; S122-T126 PolarHBondContact O-OG1 3.37Å |
| 123 | K | 98 | Very high | 97.2 | Very high | 172 Ų | 172 | 57.6 Ų | 57.6 | 75% | 0.748 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -55.8 | -46.6 | 179.4 | -179.2 | -174.4 | 175.1 | -172.2 | 0 | 111.9 | M127 | K123-M127 WeakPolarHBondContact O-CB 3.31Å; K123-M127 PolarHBondContact O-N 2.85Å |
| 124 | D | 97.8 | Very high | 97.2 | Very high | 103 Ų | 103 | 60.3 Ų | 60.3 | 55% | 0.551 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -70.1 | -46.1 | -174.6 | -61.5 | -26.2 | 0 | 0 | 0 | 110.7 | S122 T126 M127 D128 Y172 | S122-D124 VanDerWaalsContact C-N 3.32Å; S122-D124 PolarHBondContact O-N 2.84Å; D124-T126 VanDerWaalsContact C-N 3.31Å; D124-T126 PolarHBondContact O-N 3.49Å; D124-M127 WeakPolarHBondContact O-CB 3.41Å; D124-M127 PolarHBondContact O-N 3.39Å; D124-M127 VanDerWaalsContact O-N 3.1Å; D124-D128 PolarHBondContact O-N 3.13Å; D124-Y172 HydrophobicContact CB-CE1 4.24Å; D124-Y172 WeakPolarHBondContact CB-OH 3.46Å; D124-Y172 PolarHBondContact O-OH 3.17Å; D124-Y172 VanDerWaalsContact O-OH 3.06Å |
| 125 | Y | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 177.3 | -172.6 | -82.4 | 0 | 0 | 0 | 111.7 | Y119 Q120 S122 M127 D128 M129 L165 L168 D169 Y172 | Y119-Y125 AromaticContact CD2-CD2 3.78Å; Y119-Y125 HydrophobicContact CD2-CD2 3.78Å; Y119-Y125 HydrophobicContact CD2-CE2 4.06Å; Y119-Y125 AromaticContact CE2-CD2 3.82Å; Y119-Y125 HydrophobicContact CE2-CD2 3.82Å; Y119-Y125 AromaticContact CE2-CE2 3.61Å; Y119-Y125 HydrophobicContact CE2-CE2 3.61Å; Q120-Y125 HydrophobicContact CB-CD1 4.13Å; Q120-Y125 HydrophobicContact CB-CE1 3.82Å; Q120-Y125 HydrophobicContact CG-CE1 3.95Å; Q120-Y125 HydrophobicContact CG-CE2 4.03Å; Q120-Y125 WeakPolarHBondContact O-CD1 3.25Å; S122-Y125 PolarHBondContact O-N 2.9Å; S122-Y125 VanDerWaalsContact OG-CB 3.31Å; S122-Y125 WeakPolarHBondContact OG-CB 3.2Å; S122-Y125 PolarHBondContact OG-N 2.93Å; Y125-M127 VanDerWaalsContact C-N 3.33Å; Y125-M127 PolarHBondContact O-N 3.46Å; Y125-D128 PolarHBondContact O-N 3.34Å; Y125-M129 WeakPolarHBondContact O-CB 3.42Å; Y125-M129 PolarHBondContact O-N 3.19Å; Y125-L165 HydrophobicContact CE1-CD2 3.53Å; Y125-L165 VanDerWaalsContact OH-CA 3.24Å; Y125-L165 WeakPolarHBondContact OH-CA 3.34Å; Y125-L165 WeakPolarHBondContact OH-CB 3.46Å; Y125-L165 PolarHBondContact OH-O 3.17Å; Y125-L168 HydrophobicContact CD2-CB 4.33Å; Y125-L168 HydrophobicContact CE2-CB 3.6Å; Y125-D169 PolarHBondContact OH-OD1 3.34Å; Y125-Y172 VanDerWaalsContact CA-CZ 3.46Å; Y125-Y172 WeakPolarHBondContact CA-OH 3.27Å; Y125-Y172 AromaticContact CD2-CD1 3.85Å; Y125-Y172 HydrophobicContact CD2-CD1 3.85Å; Y125-Y172 AromaticContact CD2-CD2 3.58Å; Y125-Y172 HydrophobicContact CD2-CD2 3.58Å; Y125-Y172 HydrophobicContact CD2-CE1 4.15Å; Y125-Y172 AromaticContact CD2-CE2 3.91Å; Y125-Y172 HydrophobicContact CD2-CE2 3.91Å; Y125-Y172 AromaticContact CD2-CG 3.56Å; Y125-Y172 HydrophobicContact CD2-CG 3.56Å; Y125-Y172 HydrophobicContact CE2-CD2 4.13Å; Y125-Y172 HydrophobicContact CE2-CG 4.24Å; Y125-Y172 HydrophobicContact CG-CE1 4.46Å; Y125-Y172 PolarHBondContact N-OH 3.09Å; Y125-Y172 VanDerWaalsContact N-OH 3.13Å |
| 126 | T | 98 | Very high | 97.1 | Very high | 42 Ų | 42 | 59.7 Ų | 59.7 | 26% | 0.258 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 176.6 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | S122 D124 M129 Y130 | S122-T126 VanDerWaalsContact O-CB 3.32Å; S122-T126 WeakPolarHBondContact O-CB 3.47Å; S122-T126 PolarHBondContact O-N 3.38Å; S122-T126 PolarHBondContact O-OG1 3.37Å; D124-T126 VanDerWaalsContact C-N 3.31Å; D124-T126 PolarHBondContact O-N 3.49Å; T126-M129 WeakPolarHBondContact O-CB 3.5Å; T126-M129 PolarHBondContact O-N 2.98Å; T126-Y130 HydrophobicContact CG2-CD2 4.13Å; T126-Y130 HydrophobicContact CG2-CE2 3.58Å; T126-Y130 VanDerWaalsContact O-CD2 3.26Å; T126-Y130 WeakPolarHBondContact O-CD2 3.31Å; T126-Y130 PolarHBondContact O-N 3.34Å |
| 127 | M | 98.1 | Very high | 97.2 | Very high | 94 Ų | 94 | 63.2 Ų | 63.2 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 176.4 | -178.7 | 59.4 | 65.9 | 0 | 0 | 111.4 | K123 D124 Y125 M129 Y130 K131 | K123-M127 WeakPolarHBondContact O-CB 3.31Å; K123-M127 PolarHBondContact O-N 2.85Å; D124-M127 WeakPolarHBondContact O-CB 3.41Å; D124-M127 PolarHBondContact O-N 3.39Å; D124-M127 VanDerWaalsContact O-N 3.1Å; Y125-M127 VanDerWaalsContact C-N 3.33Å; Y125-M127 PolarHBondContact O-N 3.46Å; M127-M129 VanDerWaalsContact C-N 3.33Å; M127-M129 PolarHBondContact O-N 3.06Å; M127-Y130 PolarHBondContact O-N 3.28Å; M127-K131 WeakPolarHBondContact O-CG 3.42Å; M127-K131 PolarHBondContact O-N 2.99Å |
| 128 | D | 98.2 | Very high | 97.2 | Very high | 5 Ų | 5 | 67.7 Ų | 67.7 | 3% | 0.027 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.9 | -32 | 177.1 | -68.2 | -28.9 | 0 | 0 | 0 | 112.6 | D124 Y125 Y130 K131 L132 L168 Y172 L198 Y200 | D124-D128 PolarHBondContact O-N 3.13Å; Y125-D128 PolarHBondContact O-N 3.34Å; D128-Y130 VanDerWaalsContact C-N 3.32Å; D128-Y130 PolarHBondContact O-N 2.95Å; D128-K131 PolarHBondContact O-N 2.84Å; D128-K131 IonicContact OD1-NZ 3.81Å; D128-K131 PolarHBondContact OD1-NZ 3.25Å; D128-L132 VanDerWaalsContact O-CB 3.26Å; D128-L132 WeakPolarHBondContact O-CB 3.1Å; D128-L132 PolarHBondContact O-N 3.45Å; D128-L168 HydrophobicContact CB-CD1 4.2Å; D128-L168 HydrophobicContact CB-CD2 3.83Å; D128-Y172 WeakPolarHBondContact OD2-CE2 3.46Å; D128-Y172 PolarHBondContact OD2-OH 3.42Å; D128-L198 HydrophobicContact CB-CD1 4.44Å; D128-Y200 PolarHBondContact OD2-OH 3.43Å |
| 129 | M | 97.4 | Very high | 97.2 | Very high | 27 Ų | 27 | 68.5 Ų | 68.5 | 13% | 0.133 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.6 | -45.6 | 169.2 | -168.3 | -69.7 | -62 | 0 | 0 | 110.6 | Y125 T126 M127 L132 S133 L161 L165 L168 | Y125-M129 WeakPolarHBondContact O-CB 3.42Å; Y125-M129 PolarHBondContact O-N 3.19Å; T126-M129 WeakPolarHBondContact O-CB 3.5Å; T126-M129 PolarHBondContact O-N 2.98Å; M127-M129 VanDerWaalsContact C-N 3.33Å; M127-M129 PolarHBondContact O-N 3.06Å; M129-L132 PolarHBondContact O-N 3.11Å; M129-S133 WeakPolarHBondContact O-CB 3.39Å; M129-S133 PolarHBondContact O-N 2.83Å; M129-S133 PolarHBondContact O-OG 3.05Å; M129-L161 HydrophobicContact SD-CD2 4.01Å; M129-L165 HydrophobicContact CG-CD2 4.07Å; M129-L168 HydrophobicContact CB-CD1 4.04Å |
| 130 | Y | 97.9 | Very high | 97.1 | Very high | 139 Ų | 139 | 68.7 Ų | 68.7 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 175.1 | -69.5 | -48.6 | 0 | 0 | 0 | 112.7 | T126 M127 D128 L132 S133 S134 | T126-Y130 HydrophobicContact CG2-CD2 4.13Å; T126-Y130 HydrophobicContact CG2-CE2 3.58Å; T126-Y130 VanDerWaalsContact O-CD2 3.26Å; T126-Y130 WeakPolarHBondContact O-CD2 3.31Å; T126-Y130 PolarHBondContact O-N 3.34Å; M127-Y130 PolarHBondContact O-N 3.28Å; D128-Y130 VanDerWaalsContact C-N 3.32Å; D128-Y130 PolarHBondContact O-N 2.95Å; Y130-L132 VanDerWaalsContact C-N 3.32Å; Y130-L132 PolarHBondContact O-N 2.67Å; Y130-S133 WeakPolarHBondContact CA-OG 3.31Å; Y130-S133 PolarHBondContact O-N 3.04Å; Y130-S133 PolarHBondContact O-OG 3.36Å; Y130-S134 PolarHBondContact O-N 3.28Å; Y130-S134 VanDerWaalsContact O-N 3.08Å |
| 131 | K | 97.9 | Very high | 97 | Very high | 97 Ų | 97 | 68.7 Ų | 68.7 | 42% | 0.422 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.1 | -45.8 | 174.4 | -66.5 | 176.2 | -166.4 | 154.4 | 0 | 111.2 | M127 D128 S133 S134 L198 | M127-K131 WeakPolarHBondContact O-CG 3.42Å; M127-K131 PolarHBondContact O-N 2.99Å; D128-K131 PolarHBondContact O-N 2.84Å; D128-K131 IonicContact OD1-NZ 3.81Å; D128-K131 PolarHBondContact OD1-NZ 3.25Å; K131-S133 PolarHBondContact O-N 3.05Å; K131-S134 WeakPolarHBondContact O-CB 3.18Å; K131-S134 PolarHBondContact O-N 2.94Å; K131-S134 VanDerWaalsContact O-N 3.15Å; K131-S134 PolarHBondContact O-OG 3.36Å; K131-L198 HydrophobicContact CB-CD2 3.51Å; K131-L198 HydrophobicContact CD-CD2 4.26Å |
| 132 | L | 96.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 179.1 | -165 | 53.6 | 0 | 0 | 0 | 111.2 | D128 M129 Y130 S134 I135 V136 L168 H194 L198 | D128-L132 VanDerWaalsContact O-CB 3.26Å; D128-L132 WeakPolarHBondContact O-CB 3.1Å; D128-L132 PolarHBondContact O-N 3.45Å; M129-L132 PolarHBondContact O-N 3.11Å; Y130-L132 VanDerWaalsContact C-N 3.32Å; Y130-L132 PolarHBondContact O-N 2.67Å; L132-S134 PolarHBondContact O-N 2.92Å; L132-I135 HydrophobicContact CD1-CD1 4.05Å; L132-I135 HydrophobicContact CD1-CG1 4.27Å; L132-I135 WeakPolarHBondContact O-CG1 3.29Å; L132-I135 PolarHBondContact O-N 3.33Å; L132-I135 VanDerWaalsContact O-N 3.11Å; L132-V136 HydrophobicContact CD1-CG2 3.7Å; L132-V136 HydrophobicContact CG-CG2 3.86Å; L132-V136 WeakPolarHBondContact O-CB 3.27Å; L132-V136 VanDerWaalsContact O-CG2 3.3Å; L132-V136 WeakPolarHBondContact O-CG2 3.49Å; L132-V136 PolarHBondContact O-N 2.9Å; L132-L168 HydrophobicContact CD2-CD1 4.25Å; L132-L168 HydrophobicContact CD2-CD2 4.33Å; L132-L168 HydrophobicContact CD2-CG 3.99Å; L132-H194 HydrophobicContact CD1-CB 3.69Å; L132-L198 HydrophobicContact CB-CD1 4.16Å; L132-L198 HydrophobicContact CD1-CD1 4.11Å; L132-L198 HydrophobicContact CD1-CG 4.4Å |
| 133 | S | 96.2 | Very high | 96.8 | Very high | 61 Ų | 61 | 74.5 Ų | 74.5 | 43% | 0.427 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.9 | -23.2 | 176.1 | 78.3 | 0 | 0 | 0 | 0 | 113.5 | M129 Y130 K131 | M129-S133 WeakPolarHBondContact O-CB 3.39Å; M129-S133 PolarHBondContact O-N 2.83Å; M129-S133 PolarHBondContact O-OG 3.05Å; Y130-S133 WeakPolarHBondContact CA-OG 3.31Å; Y130-S133 PolarHBondContact O-N 3.04Å; Y130-S133 PolarHBondContact O-OG 3.36Å; K131-S133 PolarHBondContact O-N 3.05Å |
| 134 | S | 96.6 | Very high | 96.6 | Very high | 96 Ų | 96 | 66.5 Ų | 66.5 | 67% | 0.671 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -78 | -17.6 | 176.6 | 79.3 | 0 | 0 | 0 | 0 | 114.1 | Y130 K131 L132 | Y130-S134 PolarHBondContact O-N 3.28Å; Y130-S134 VanDerWaalsContact O-N 3.08Å; K131-S134 WeakPolarHBondContact O-CB 3.18Å; K131-S134 PolarHBondContact O-N 2.94Å; K131-S134 VanDerWaalsContact O-N 3.15Å; K131-S134 PolarHBondContact O-OG 3.36Å; L132-S134 PolarHBondContact O-N 2.92Å |
| 135 | I | 96 | Very high | 96.4 | Very high | 60 Ų | 60 | 61.8 Ų | 61.8 | 31% | 0.308 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -117.1 | -25.7 | -176.4 | 58 | 172.2 | 0 | 0 | 0 | 113.2 | L132 M197 L198 | L132-I135 HydrophobicContact CD1-CD1 4.05Å; L132-I135 HydrophobicContact CD1-CG1 4.27Å; L132-I135 WeakPolarHBondContact O-CG1 3.29Å; L132-I135 PolarHBondContact O-N 3.33Å; L132-I135 VanDerWaalsContact O-N 3.11Å; I135-M197 HydrophobicContact CB-CE 4Å; I135-M197 HydrophobicContact CD1-CB 3.47Å; I135-M197 VanDerWaalsContact CD1-CB 3.47Å; I135-M197 HydrophobicContact CD1-CE 3.98Å; I135-M197 HydrophobicContact CD1-CG 4.35Å; I135-M197 HydrophobicContact CD1-SD 4.06Å; I135-M197 HydrophobicContact CG1-CE 4.47Å; I135-M197 HydrophobicContact CG2-CE 4.41Å; I135-L198 HydrophobicContact CD1-CD2 4.26Å |
| 136 | V | 97.2 | Very high | 96 | Very high | 18 Ų | 18 | 63.5 Ų | 63.5 | 11% | 0.109 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -79.9 | 123.7 | 178.8 | 171 | 0 | 0 | 0 | 0 | 109.8 | L132 A141 F190 H194 | L132-V136 HydrophobicContact CD1-CG2 3.7Å; L132-V136 HydrophobicContact CG-CG2 3.86Å; L132-V136 WeakPolarHBondContact O-CB 3.27Å; L132-V136 VanDerWaalsContact O-CG2 3.3Å; L132-V136 WeakPolarHBondContact O-CG2 3.49Å; L132-V136 PolarHBondContact O-N 2.9Å; V136-A141 HydrophobicContact CG1-CB 3.91Å; V136-F190 HydrophobicContact CB-CZ 4.41Å; V136-F190 HydrophobicContact CG1-CE2 3.62Å; V136-F190 HydrophobicContact CG1-CZ 3.82Å; V136-F190 HydrophobicContact CG2-CE2 4Å; V136-F190 HydrophobicContact CG2-CZ 3.65Å; V136-H194 HydrophobicContact CG2-CB 4.41Å |
| 137 | T | 96.5 | Very high | 95.5 | Very high | 73 Ų | 73 | 66 Ų | 66 | 45% | 0.448 | 33% | 0.33 | S | S | . | . | trans | -73.4 | 150 | 173.7 | 71.9 | 0 | 0 | 0 | 0 | 111 | H139 D140 A141 | T137-H139 PolarHBondContact O-N 2.84Å; T137-D140 PolarHBondContact O-N 2.91Å; T137-D140 VanDerWaalsContact O-N 3.11Å; T137-D140 WeakPolarHBondContact OG1-CB 3.14Å; T137-D140 PolarHBondContact OG1-N 3.2Å; T137-D140 VanDerWaalsContact OG1-N 3.08Å; T137-A141 PolarHBondContact O-N 3.14Å | ||
| 138 | Q | 95.4 | Very high | 95 | Very high | 139 Ų | 139 | 62.8 Ų | 62.8 | 65% | 0.65 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -57 | -35 | 173.9 | -63.4 | -178.9 | 24.2 | 0 | 0 | 112.1 | R142 | Q138-R142 VanDerWaalsContact O-CB 3.29Å; Q138-R142 WeakPolarHBondContact O-CB 3.17Å; Q138-R142 PolarHBondContact O-N 2.95Å |
| 139 | H | 95 | Very high | 94.3 | Very high | 125 Ų | 125 | 63.2 Ų | 63.2 | 58% | 0.579 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.8 | -48.8 | 175.9 | 171.9 | -87.2 | 0 | 0 | 0 | 111.4 | T137 R142 K143 | T137-H139 PolarHBondContact O-N 2.84Å; H139-R142 PolarHBondContact O-N 3.02Å; H139-K143 VanDerWaalsContact O-CB 3.3Å; H139-K143 WeakPolarHBondContact O-CB 3.18Å; H139-K143 PolarHBondContact O-N 2.84Å |
| 140 | D | 95.4 | Very high | 93.4 | Very high | 34 Ų | 34 | 67.4 Ų | 67.4 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.5 | -41.9 | -178.1 | -75.9 | 4.9 | 0 | 0 | 0 | 111.7 | T137 K143 A144 K193 H194 | T137-D140 PolarHBondContact O-N 2.91Å; T137-D140 VanDerWaalsContact O-N 3.11Å; T137-D140 WeakPolarHBondContact OG1-CB 3.14Å; T137-D140 PolarHBondContact OG1-N 3.2Å; T137-D140 VanDerWaalsContact OG1-N 3.08Å; D140-K143 PolarHBondContact O-N 3.18Å; D140-A144 VanDerWaalsContact O-CB 3.32Å; D140-A144 WeakPolarHBondContact O-CB 3.49Å; D140-A144 PolarHBondContact O-N 3.42Å; D140-K193 IonicContact OD2-NZ 3.45Å; D140-K193 PolarHBondContact OD2-NZ 2.86Å; D140-H194 IonicContact OD2-NE2 3.17Å |
| 141 | A | 96.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 66.4 Ų | 66.4 | 3% | 0.033 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.1 | -47.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V136 T137 K143 A144 G145 L160 | V136-A141 HydrophobicContact CG1-CB 3.91Å; T137-A141 PolarHBondContact O-N 3.14Å; A141-K143 PolarHBondContact O-N 3.17Å; A141-A144 PolarHBondContact O-N 2.72Å; A141-G145 PolarHBondContact O-N 3.41Å; A141-G145 VanDerWaalsContact O-N 3.13Å; A141-L160 HydrophobicContact CB-CB 4.33Å; A141-L160 HydrophobicContact CB-CD2 4.35Å; A141-L160 WeakPolarHBondContact CB-O 3.5Å |
| 142 | R | 93.9 | Very high | 91.6 | Very high | 145 Ų | 145 | 64 Ų | 64 | 55% | 0.547 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 177.7 | -172.7 | -176.5 | -60.4 | 175.9 | 1.3 | 111.7 | Q138 H139 A144 G145 A146 L160 | Q138-R142 VanDerWaalsContact O-CB 3.29Å; Q138-R142 WeakPolarHBondContact O-CB 3.17Å; Q138-R142 PolarHBondContact O-N 2.95Å; H139-R142 PolarHBondContact O-N 3.02Å; R142-A144 VanDerWaalsContact C-N 3.34Å; R142-G145 PolarHBondContact O-N 2.93Å; R142-A146 PolarHBondContact O-N 3.04Å; R142-L160 HydrophobicContact CB-CD2 3.89Å |
| 143 | K | 95.3 | Very high | 90.5 | Very high | 129 Ų | 129 | 70.1 Ų | 70.1 | 56% | 0.561 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.6 | -41.9 | 178.5 | -177.2 | 179.5 | 176.9 | -177.8 | 0 | 111.3 | H139 D140 A141 A146 K186 | H139-K143 VanDerWaalsContact O-CB 3.3Å; H139-K143 WeakPolarHBondContact O-CB 3.18Å; H139-K143 PolarHBondContact O-N 2.84Å; D140-K143 PolarHBondContact O-N 3.18Å; A141-K143 PolarHBondContact O-N 3.17Å; K143-A146 WeakPolarHBondContact O-CB 3.44Å; K143-A146 PolarHBondContact O-N 3.4Å; K143-K186 WeakPolarHBondContact O-CD 3.4Å |
| 144 | A | 95.8 | Very high | 89.8 | Confident | 5 Ų | 5 | 72.1 Ų | 72.1 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D140 A141 R142 A146 P163 K186 I187 F190 | D140-A144 VanDerWaalsContact O-CB 3.32Å; D140-A144 WeakPolarHBondContact O-CB 3.49Å; D140-A144 PolarHBondContact O-N 3.42Å; A141-A144 PolarHBondContact O-N 2.72Å; R142-A144 VanDerWaalsContact C-N 3.34Å; A144-A146 PolarHBondContact O-N 2.85Å; A144-P163 HydrophobicContact CB-CB 3.73Å; A144-P163 HydrophobicContact CB-CG 3.86Å; A144-K186 WeakPolarHBondContact O-CB 3.09Å; A144-I187 VanDerWaalsContact O-CG1 3.28Å; A144-I187 WeakPolarHBondContact O-CG1 3.26Å; A144-F190 HydrophobicContact CB-CB 3.68Å; A144-F190 HydrophobicContact CB-CD2 3.62Å; A144-F190 HydrophobicContact CB-CE2 4.44Å; A144-F190 HydrophobicContact CB-CG 3.75Å |
| 145 | G | 92.3 | Very high | 89.1 | Confident | 3 Ų | 3 | 71.4 Ų | 71.4 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -80.9 | -3.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | A141 R142 E147 V148 V149 | A141-G145 PolarHBondContact O-N 3.41Å; A141-G145 VanDerWaalsContact O-N 3.13Å; R142-G145 PolarHBondContact O-N 2.93Å; G145-E147 VanDerWaalsContact C-N 3.27Å; G145-E147 PolarHBondContact O-N 3.37Å; G145-E147 VanDerWaalsContact O-N 3.11Å; G145-V148 PolarHBondContact O-N 2.81Å; G145-V148 VanDerWaalsContact O-N 3.11Å; G145-V149 WeakPolarHBondContact O-CB 3.31Å; G145-V149 PolarHBondContact O-N 2.72Å |
| 146 | A | 90.3 | Very high | 88.7 | Confident | 37 Ų | 37 | 73 Ų | 73 | 31% | 0.306 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -28.5 | -166.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | R142 K143 A144 Q151 | R142-A146 PolarHBondContact O-N 3.04Å; K143-A146 WeakPolarHBondContact O-CB 3.44Å; K143-A146 PolarHBondContact O-N 3.4Å; A144-A146 PolarHBondContact O-N 2.85Å; A146-Q151 PolarHBondContact O-NE2 3.22Å |
| 147 | E | 87.3 | Confident | 88.4 | Confident | 96 Ų | 96 | 78.1 Ų | 78.1 | 45% | 0.449 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -10.9 | -179.2 | -70.8 | 179.5 | -148.2 | 0 | 0 | 113.9 | G145 K186 | G145-E147 VanDerWaalsContact C-N 3.27Å; G145-E147 PolarHBondContact O-N 3.37Å; G145-E147 VanDerWaalsContact O-N 3.11Å; E147-K186 HydrophobicContact CG-CD 4.44Å; E147-K186 WeakPolarHBondContact OE1-CE 3.47Å; E147-K186 IonicContact OE1-NZ 2.7Å; E147-K186 PolarHBondContact OE1-NZ 2.7Å |
| 148 | V | 86.9 | Confident | 88.2 | Confident | 25 Ų | 25 | 75.7 Ų | 75.7 | 15% | 0.152 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -50.4 | -171 | -179.5 | 0 | 0 | 0 | 0 | 111 | G145 Y162 D183 I187 | G145-V148 PolarHBondContact O-N 2.81Å; G145-V148 VanDerWaalsContact O-N 3.11Å; V148-Y162 HydrophobicContact CG1-CE1 3.92Å; V148-D183 WeakPolarHBondContact CG2-O 3.3Å; V148-I187 HydrophobicContact CB-CD1 3.84Å; V148-I187 HydrophobicContact CG1-CD1 3.99Å; V148-I187 HydrophobicContact CG2-CD1 3.73Å; V148-I187 HydrophobicContact CG2-CG1 4.33Å |
| 149 | V | 83.4 | Confident | 87.9 | Confident | 15 Ų | 15 | 69.7 Ų | 69.7 | 9% | 0.091 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -74.7 | 138.1 | 178.7 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | G145 Q151 Y162 | G145-V149 WeakPolarHBondContact O-CB 3.31Å; G145-V149 PolarHBondContact O-N 2.72Å; V149-Q151 PolarHBondContact O-N 3.02Å; V149-Q151 VanDerWaalsContact O-N 3.12Å; V149-Q151 PolarHBondContact O-NE2 2.98Å; V149-Y162 HydrophobicContact CG2-CD1 4.04Å; V149-Y162 HydrophobicContact CG2-CD2 4.13Å; V149-Y162 HydrophobicContact CG2-CG 3.74Å |
| 150 | K | 79.8 | Confident | 87.8 | Confident | 115 Ų | 115 | 65.3 Ų | 65.3 | 50% | 0.5 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 120.1 | 176.9 | -172.6 | -177.1 | 177.6 | -173.4 | 0 | 110.5 | D77 V152 | D77-K150 PolarHBondContact OD1-N 3.2Å; D77-K150 VanDerWaalsContact OD1-N 3.13Å; K150-V152 HydrophobicContact CD-CG1 4.08Å; K150-V152 HydrophobicContact CG-CG1 4.05Å; K150-V152 PolarHBondContact O-N 2.88Å |
| 151 | Q | 79.4 | Confident | 87.7 | Confident | 117 Ų | 117 | 66 Ų | 66 | 55% | 0.547 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 122 | 173 | -57 | -54.8 | -61 | 0 | 0 | 108.8 | A146 V149 | A146-Q151 PolarHBondContact O-NE2 3.22Å; V149-Q151 PolarHBondContact O-N 3.02Å; V149-Q151 VanDerWaalsContact O-N 3.12Å; V149-Q151 PolarHBondContact O-NE2 2.98Å |
| 152 | V | 78.2 | Confident | 87.6 | Confident | 48 Ų | 48 | 66.6 Ų | 66.6 | 29% | 0.291 | 34% | 0.343 | S | S | . | . | trans | -131.6 | 153.4 | 178.4 | -64.6 | 0 | 0 | 0 | 0 | 108.5 | K150 N154 P155 | K150-V152 HydrophobicContact CD-CG1 4.08Å; K150-V152 HydrophobicContact CG-CG1 4.05Å; K150-V152 PolarHBondContact O-N 2.88Å; V152-N154 WeakPolarHBondContact CG2-O 3.27Å; V152-N154 PolarHBondContact O-N 3.43Å; V152-P155 WeakPolarHBondContact O-CD 3.46Å | ||
| 153 | D | 74.6 | Confident | 87.7 | Confident | 128 Ų | 128 | 59.7 Ų | 59.7 | 68% | 0.684 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -62 | -31.2 | -174.3 | -57.1 | -40 | 0 | 0 | 0 | 112.7 | P155 L469 | D153-P155 WeakPolarHBondContact O-CD 3.38Å; D153-L469 HydrophobicContact CB-CD1 3.8Å; D153-L469 VanDerWaalsContact OD2-CD1 3.32Å; D153-L469 WeakPolarHBondContact OD2-CD1 3.43Å |
| 154 | N | 80.1 | Confident | 87.8 | Confident | 102 Ų | 102 | 53.8 Ų | 53.8 | 55% | 0.545 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -118.3 | 84.1 | 173.9 | -60.9 | -62 | 0 | 0 | 0 | 109.6 | V152 L156 | V152-N154 WeakPolarHBondContact CG2-O 3.27Å; V152-N154 PolarHBondContact O-N 3.43Å; N154-L156 PolarHBondContact O-N 2.74Å |
| 155 | P | 82.2 | Confident | 87.9 | Confident | 81 Ų | 81 | 54.2 Ų | 54.2 | 53% | 0.526 | 29% | 0.293 | S | S | . | . | trans | -58 | 125.1 | -177.2 | -24.3 | 33.5 | 0 | 0 | 0 | 111.7 | V152 D153 | V152-P155 WeakPolarHBondContact O-CD 3.46Å; D153-P155 WeakPolarHBondContact O-CD 3.38Å | ||
| 156 | L | 87.1 | Confident | 88.2 | Confident | 95 Ų | 95 | 54.8 Ų | 54.8 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | trans | -70.4 | 151.1 | 174.3 | -60.5 | 177.3 | 0 | 0 | 0 | 110.5 | N154 S158 G159 | N154-L156 PolarHBondContact O-N 2.74Å; L156-S158 WeakPolarHBondContact CB-OG 3.37Å; L156-S158 PolarHBondContact O-N 3.24Å; L156-S158 VanDerWaalsContact O-N 3.16Å; L156-G159 PolarHBondContact O-N 2.86Å | ||
| 157 | L | 92.2 | Very high | 88.5 | Confident | 124 Ų | 124 | 53 Ų | 53 | 65% | 0.649 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -55.2 | -33 | 173.6 | -179.5 | 61.9 | 0 | 0 | 0 | 112.1 | G159 L160 L161 | L157-G159 PolarHBondContact O-N 2.96Å; L157-L160 HydrophobicContact CD1-CB 4.49Å; L157-L160 HydrophobicContact CD1-CD1 4.21Å; L157-L160 WeakPolarHBondContact O-CB 3.46Å; L157-L160 PolarHBondContact O-N 3.41Å; L157-L161 PolarHBondContact O-N 2.85Å |
| 158 | S | 91.4 | Very high | 89.1 | Confident | 22 Ų | 22 | 48.5 Ų | 48.5 | 15% | 0.154 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.2 | -34.2 | 177.3 | 61 | 0 | 0 | 0 | 0 | 113 | L76 L156 L160 L161 Y162 | L76-S158 WeakPolarHBondContact O-CB 3.27Å; L76-S158 PolarHBondContact O-OG 3Å; L156-S158 WeakPolarHBondContact CB-OG 3.37Å; L156-S158 PolarHBondContact O-N 3.24Å; L156-S158 VanDerWaalsContact O-N 3.16Å; S158-L160 VanDerWaalsContact C-N 3.28Å; S158-L160 PolarHBondContact O-N 2.91Å; S158-L161 PolarHBondContact O-N 3.3Å; S158-Y162 PolarHBondContact O-N 2.68Å; S158-Y162 VanDerWaalsContact O-N 3.16Å |
| 159 | G | 89.3 | Confident | 89.6 | Confident | 13 Ų | 13 | 47.4 Ų | 47.4 | 13% | 0.134 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.4 | -26.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L156 L157 | L156-G159 PolarHBondContact O-N 2.86Å; L157-G159 PolarHBondContact O-N 2.96Å |
| 160 | L | 92.6 | Very high | 90.3 | Very high | 33 Ų | 33 | 46.7 Ų | 46.7 | 17% | 0.173 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -80.7 | -28.7 | 175 | -58.6 | -179.6 | 0 | 0 | 0 | 112.3 | A141 R142 L157 S158 | A141-L160 HydrophobicContact CB-CB 4.33Å; A141-L160 HydrophobicContact CB-CD2 4.35Å; A141-L160 WeakPolarHBondContact CB-O 3.5Å; R142-L160 HydrophobicContact CB-CD2 3.89Å; L157-L160 HydrophobicContact CD1-CB 4.49Å; L157-L160 HydrophobicContact CD1-CD1 4.21Å; L157-L160 WeakPolarHBondContact O-CB 3.46Å; L157-L160 PolarHBondContact O-N 3.41Å; S158-L160 VanDerWaalsContact C-N 3.28Å; S158-L160 PolarHBondContact O-N 2.91Å |
| 161 | L | 94.5 | Very high | 91.2 | Very high | 50 Ų | 50 | 43 Ų | 43 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -74.2 | -30.8 | 175.9 | -60.7 | 179 | 0 | 0 | 0 | 112 | M129 L157 S158 S164 L165 | M129-L161 HydrophobicContact SD-CD2 4.01Å; L157-L161 PolarHBondContact O-N 2.85Å; S158-L161 PolarHBondContact O-N 3.3Å; L161-S164 WeakPolarHBondContact O-CB 3.36Å; L161-S164 PolarHBondContact O-N 3.37Å; L161-L165 HydrophobicContact CB-CD1 4.3Å; L161-L165 WeakPolarHBondContact O-CG 3.29Å; L161-L165 PolarHBondContact O-N 2.97Å; L161-L165 VanDerWaalsContact O-N 3.1Å |
| 162 | Y | 93.9 | Very high | 92.1 | Very high | 15 Ų | 15 | 39.6 Ų | 39.6 | 6% | 0.059 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -49.8 | -52.4 | -171.9 | -168.3 | -68.3 | 0 | 0 | 0 | 114.3 | H73 D77 V148 V149 S158 S164 L165 Q166 I187 | H73-Y162 HydrophobicContact CB-CD2 4.43Å; H73-Y162 HydrophobicContact CB-CE2 3.74Å; H73-Y162 AromaticContact CD2-CD2 3.79Å; H73-Y162 AromaticContact CD2-CE1 3.81Å; H73-Y162 AromaticContact CD2-CE2 3.57Å; H73-Y162 AromaticContact CD2-CG 3.99Å; H73-Y162 AromaticContact CD2-CZ 3.56Å; D77-Y162 HydrophobicContact CB-CD2 4.47Å; D77-Y162 HydrophobicContact CB-CE2 4.17Å; V148-Y162 HydrophobicContact CG1-CE1 3.92Å; V149-Y162 HydrophobicContact CG2-CD1 4.04Å; V149-Y162 HydrophobicContact CG2-CD2 4.13Å; V149-Y162 HydrophobicContact CG2-CG 3.74Å; S158-Y162 PolarHBondContact O-N 2.68Å; S158-Y162 VanDerWaalsContact O-N 3.16Å; Y162-S164 VanDerWaalsContact C-N 3.26Å; Y162-S164 PolarHBondContact O-N 3.39Å; Y162-L165 PolarHBondContact O-N 3.43Å; Y162-Q166 PolarHBondContact O-N 3.14Å; Y162-Q166 VanDerWaalsContact O-N 3.13Å; Y162-I187 HydrophobicContact CD1-CD1 4.12Å; Y162-I187 HydrophobicContact CE1-CD1 4.07Å |
| 163 | P | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.9 | -30.4 | -178.1 | -20.6 | 35.2 | 0 | 0 | 0 | 113.2 | A144 A167 I187 F190 | A144-P163 HydrophobicContact CB-CB 3.73Å; A144-P163 HydrophobicContact CB-CG 3.86Å; P163-A167 WeakPolarHBondContact O-CB 3.44Å; P163-A167 PolarHBondContact O-N 3.41Å; P163-I187 HydrophobicContact CB-CG1 4.35Å; P163-I187 HydrophobicContact CB-CG2 4.35Å; P163-F190 HydrophobicContact CB-CD1 4.03Å; P163-F190 HydrophobicContact CB-CE1 4.07Å; P163-F190 HydrophobicContact CB-CG 4.35Å; P163-F190 HydrophobicContact CB-CZ 4.38Å |
| 164 | S | 97.1 | Very high | 94.2 | Very high | 6 Ų | 6 | 37.5 Ų | 37.5 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69 | -42.2 | 178.3 | -62 | 0 | 0 | 0 | 0 | 111.4 | L161 Y162 A167 L168 | L161-S164 WeakPolarHBondContact O-CB 3.36Å; L161-S164 PolarHBondContact O-N 3.37Å; Y162-S164 VanDerWaalsContact C-N 3.26Å; Y162-S164 PolarHBondContact O-N 3.39Å; S164-A167 PolarHBondContact O-N 3.45Å; S164-L168 WeakPolarHBondContact O-CG 3.38Å; S164-L168 PolarHBondContact O-N 2.88Å |
| 165 | L | 97.4 | Very high | 95.1 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.068 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.6 | -48.4 | 176.5 | -63.4 | 169.5 | 0 | 0 | 0 | 111 | H73 L76 Y125 M129 L161 Y162 A167 L168 D169 | H73-L165 WeakPolarHBondContact NE2-CB 3.42Å; L76-L165 HydrophobicContact CD1-CD1 3.24Å; Y125-L165 HydrophobicContact CE1-CD2 3.53Å; Y125-L165 VanDerWaalsContact OH-CA 3.24Å; Y125-L165 WeakPolarHBondContact OH-CA 3.34Å; Y125-L165 WeakPolarHBondContact OH-CB 3.46Å; Y125-L165 PolarHBondContact OH-O 3.17Å; M129-L165 HydrophobicContact CG-CD2 4.07Å; L161-L165 HydrophobicContact CB-CD1 4.3Å; L161-L165 WeakPolarHBondContact O-CG 3.29Å; L161-L165 PolarHBondContact O-N 2.97Å; L161-L165 VanDerWaalsContact O-N 3.1Å; Y162-L165 PolarHBondContact O-N 3.43Å; L165-A167 VanDerWaalsContact C-N 3.3Å; L165-A167 PolarHBondContact O-N 3.46Å; L165-L168 PolarHBondContact O-N 3.28Å; L165-L168 VanDerWaalsContact O-N 3.16Å; L165-D169 PolarHBondContact O-N 2.98Å |
| 166 | Q | 97.8 | Very high | 95.9 | Very high | 16 Ų | 16 | 29.9 Ų | 29.9 | 8% | 0.075 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.8 | -35 | 178.4 | -174.8 | 171.8 | -23.6 | 0 | 0 | 112.7 | Y35 H73 Y162 D169 Q178 Q184 I187 | Y35-Q166 PolarHBondContact OH-O 2.85Å; Y35-Q166 VanDerWaalsContact OH-O 3.05Å; H73-Q166 PolarHBondContact NE2-N 3.05Å; Y162-Q166 PolarHBondContact O-N 3.14Å; Y162-Q166 VanDerWaalsContact O-N 3.13Å; Q166-D169 WeakPolarHBondContact O-CB 3.5Å; Q166-D169 PolarHBondContact O-N 3.14Å; Q166-Q178 VanDerWaalsContact NE2-NE2 3.11Å; Q166-Q184 VanDerWaalsContact NE2-OE1 3.15Å; Q166-I187 HydrophobicContact CB-CG2 4.05Å; Q166-I187 HydrophobicContact CG-CG2 3.95Å |
| 167 | A | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.2 | -46.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P163 S164 L165 D169 E170 F190 A191 L195 | P163-A167 WeakPolarHBondContact O-CB 3.44Å; P163-A167 PolarHBondContact O-N 3.41Å; S164-A167 PolarHBondContact O-N 3.45Å; L165-A167 VanDerWaalsContact C-N 3.3Å; L165-A167 PolarHBondContact O-N 3.46Å; A167-D169 PolarHBondContact O-N 2.95Å; A167-E170 WeakPolarHBondContact O-CB 3.2Å; A167-E170 PolarHBondContact O-N 3.14Å; A167-F190 HydrophobicContact CB-CD1 4.27Å; A167-F190 HydrophobicContact CB-CE1 4.21Å; A167-A191 HydrophobicContact CB-CB 3.63Å; A167-L195 HydrophobicContact CB-CD2 4.28Å; A167-L195 HydrophobicContact CB-CG 4.39Å |
| 168 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.1 | -27.9 | 178.4 | -70.5 | 173.2 | 0 | 0 | 0 | 112.7 | Y125 D128 M129 L132 S164 L165 E170 E171 Y172 L195 L198 | Y125-L168 HydrophobicContact CD2-CB 4.33Å; Y125-L168 HydrophobicContact CE2-CB 3.6Å; D128-L168 HydrophobicContact CB-CD1 4.2Å; D128-L168 HydrophobicContact CB-CD2 3.83Å; M129-L168 HydrophobicContact CB-CD1 4.04Å; L132-L168 HydrophobicContact CD2-CD1 4.25Å; L132-L168 HydrophobicContact CD2-CD2 4.33Å; L132-L168 HydrophobicContact CD2-CG 3.99Å; S164-L168 WeakPolarHBondContact O-CG 3.38Å; S164-L168 PolarHBondContact O-N 2.88Å; L165-L168 PolarHBondContact O-N 3.28Å; L165-L168 VanDerWaalsContact O-N 3.16Å; L168-E170 PolarHBondContact O-N 3.03Å; L168-E171 PolarHBondContact O-N 3.16Å; L168-E171 VanDerWaalsContact O-N 3.1Å; L168-Y172 HydrophobicContact CB-CD2 4.5Å; L168-Y172 WeakPolarHBondContact O-CD2 3.15Å; L168-Y172 PolarHBondContact O-N 2.89Å; L168-L195 HydrophobicContact CD2-CD2 4.33Å; L168-L198 HydrophobicContact CD2-CD1 3.8Å |
| 169 | D | 98.5 | Very high | 97.1 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.011 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.3 | -32.2 | 175.4 | -67.1 | -24 | 0 | 0 | 0 | 112.4 | Y35 L68 H73 Y119 Q120 Y125 L165 Q166 A167 E171 L173 | Y35-D169 HydrophobicContact CE2-CB 4.28Å; L68-D169 HydrophobicContact CD2-CB 4.11Å; L68-D169 VanDerWaalsContact CD2-OD2 3.29Å; L68-D169 WeakPolarHBondContact CD2-OD2 3.24Å; H73-D169 IonicContact CE1-OD2 3.35Å; H73-D169 PolarHBondContact CE1-OD2 2.93Å; H73-D169 VanDerWaalsContact CE1-OD2 3.31Å; Y119-D169 WeakPolarHBondContact CE2-OD1 3.33Å; Y119-D169 PolarHBondContact OH-OD1 3.01Å; Q120-D169 VanDerWaalsContact NE2-CG 3.27Å; Q120-D169 PolarHBondContact NE2-OD1 3.49Å; Q120-D169 PolarHBondContact NE2-OD2 3.44Å; Y125-D169 PolarHBondContact OH-OD1 3.34Å; L165-D169 PolarHBondContact O-N 2.98Å; Q166-D169 WeakPolarHBondContact O-CB 3.5Å; Q166-D169 PolarHBondContact O-N 3.14Å; A167-D169 PolarHBondContact O-N 2.95Å; D169-E171 VanDerWaalsContact C-N 3.32Å; D169-E171 PolarHBondContact O-N 3.32Å; D169-L173 HydrophobicContact CB-CD1 4.4Å; D169-L173 WeakPolarHBondContact O-CB 3.31Å; D169-L173 WeakPolarHBondContact O-CG 3.45Å; D169-L173 PolarHBondContact O-N 3.15Å |
| 170 | E | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.5 | -42 | 174.9 | -71.3 | 168.6 | -147.3 | 0 | 0 | 112.8 | Y35 A167 L168 V175 Q178 A191 L195 R203 H205 | Y35-E170 HydrophobicContact CE1-CB 4.45Å; Y35-E170 HydrophobicContact CE1-CG 3.71Å; A167-E170 WeakPolarHBondContact O-CB 3.2Å; A167-E170 PolarHBondContact O-N 3.14Å; L168-E170 PolarHBondContact O-N 3.03Å; E170-V175 HydrophobicContact CB-CG2 4.31Å; E170-V175 WeakPolarHBondContact O-CG2 3.31Å; E170-V175 PolarHBondContact O-N 2.83Å; E170-Q178 HydrophobicContact CG-CB 4.45Å; E170-Q178 PolarHBondContact OE1-OE1 3Å; E170-A191 WeakPolarHBondContact OE1-CB 3.43Å; E170-L195 HydrophobicContact CB-CD1 4.08Å; E170-L195 WeakPolarHBondContact OE2-CD1 3.37Å; E170-R203 HydrophobicContact CB-CG 4.03Å; E170-R203 HydrophobicContact CG-CB 4.44Å; E170-R203 HydrophobicContact CG-CG 4.28Å; E170-R203 VanDerWaalsContact OE2-CB 3.27Å; E170-R203 WeakPolarHBondContact OE2-CB 3.43Å; E170-H205 IonicContact OE1-NE2 3.93Å; E170-H205 PolarHBondContact OE1-NE2 3.14Å |
| 171 | E | 98.4 | Very high | 97.6 | Very high | 37 Ų | 37 | 17.2 Ų | 17.2 | 17% | 0.173 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -74.1 | -50.1 | -180 | 179.3 | 57.3 | -139.9 | 0 | 0 | 110.8 | L168 D169 L173 H174 Y200 R203 | L168-E171 PolarHBondContact O-N 3.16Å; L168-E171 VanDerWaalsContact O-N 3.1Å; D169-E171 VanDerWaalsContact C-N 3.32Å; D169-E171 PolarHBondContact O-N 3.32Å; E171-L173 VanDerWaalsContact C-N 3.3Å; E171-L173 PolarHBondContact O-N 2.9Å; E171-H174 WeakPolarHBondContact O-CA 3.43Å; E171-H174 PolarHBondContact O-N 3.07Å; E171-H174 PolarHBondContact O-ND1 3.36Å; E171-Y200 HydrophobicContact CB-CD2 4.33Å; E171-Y200 HydrophobicContact CB-CG 4.29Å; E171-Y200 HydrophobicContact CG-CD1 3.59Å; E171-Y200 HydrophobicContact CG-CD2 4Å; E171-Y200 HydrophobicContact CG-CE1 3.73Å; E171-Y200 HydrophobicContact CG-CE2 4.12Å; E171-Y200 HydrophobicContact CG-CG 3.76Å; E171-Y200 WeakPolarHBondContact OE2-CD1 3.29Å; E171-R203 IonicContact OE2-CZ 3.23Å; E171-R203 IonicContact OE2-NH1 3.81Å; E171-R203 PolarHBondContact OE2-NH1 2.88Å; E171-R203 IonicContact OE2-NH2 3.52Å; E171-R203 PolarHBondContact OE2-NH2 3.09Å |
| 172 | Y | 98.4 | Very high | 97.6 | Very high | 47 Ų | 47 | 17 Ų | 17 | 18% | 0.184 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -74 | -19.1 | -174.1 | -81 | -100.5 | 0 | 0 | 0 | 113.8 | Y119 D124 Y125 D128 L168 H174 | Y119-Y172 HydrophobicContact CD2-CD1 4.23Å; Y119-Y172 HydrophobicContact CD2-CG 4.22Å; Y119-Y172 HydrophobicContact CE2-CG 4.42Å; D124-Y172 HydrophobicContact CB-CE1 4.24Å; D124-Y172 WeakPolarHBondContact CB-OH 3.46Å; D124-Y172 PolarHBondContact O-OH 3.17Å; D124-Y172 VanDerWaalsContact O-OH 3.06Å; Y125-Y172 VanDerWaalsContact CA-CZ 3.46Å; Y125-Y172 WeakPolarHBondContact CA-OH 3.27Å; Y125-Y172 AromaticContact CD2-CD1 3.85Å; Y125-Y172 HydrophobicContact CD2-CD1 3.85Å; Y125-Y172 AromaticContact CD2-CD2 3.58Å; Y125-Y172 HydrophobicContact CD2-CD2 3.58Å; Y125-Y172 HydrophobicContact CD2-CE1 4.15Å; Y125-Y172 AromaticContact CD2-CE2 3.91Å; Y125-Y172 HydrophobicContact CD2-CE2 3.91Å; Y125-Y172 AromaticContact CD2-CG 3.56Å; Y125-Y172 HydrophobicContact CD2-CG 3.56Å; Y125-Y172 HydrophobicContact CE2-CD2 4.13Å; Y125-Y172 HydrophobicContact CE2-CG 4.24Å; Y125-Y172 HydrophobicContact CG-CE1 4.46Å; Y125-Y172 PolarHBondContact N-OH 3.09Å; Y125-Y172 VanDerWaalsContact N-OH 3.13Å; D128-Y172 WeakPolarHBondContact OD2-CE2 3.46Å; D128-Y172 PolarHBondContact OD2-OH 3.42Å; L168-Y172 HydrophobicContact CB-CD2 4.5Å; L168-Y172 WeakPolarHBondContact O-CD2 3.15Å; L168-Y172 PolarHBondContact O-N 2.89Å; Y172-H174 VanDerWaalsContact C-N 3.33Å |
| 173 | L | 98.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 18 Ų | 18 | 4% | 0.037 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -6.5 | 167.9 | -63.1 | 177.3 | 0 | 0 | 0 | 112.9 | Y35 T66 L68 V114 Y119 D169 E171 V175 | Y35-L173 HydrophobicContact CD1-CD1 4.32Å; Y35-L173 HydrophobicContact CD2-CD1 3.45Å; Y35-L173 VanDerWaalsContact CD2-CD1 3.45Å; Y35-L173 HydrophobicContact CE2-CD1 3.9Å; Y35-L173 HydrophobicContact CG-CD1 3.65Å; T66-L173 HydrophobicContact CG2-CD1 4.28Å; T66-L173 HydrophobicContact CG2-CD2 4.19Å; L68-L173 HydrophobicContact CB-CD1 4.18Å; L68-L173 HydrophobicContact CD2-CD1 4.23Å; V114-L173 HydrophobicContact CB-CD2 4.27Å; V114-L173 HydrophobicContact CG1-CD2 3.92Å; V114-L173 HydrophobicContact CG2-CD2 4.33Å; Y119-L173 HydrophobicContact CE1-CD2 3.84Å; D169-L173 HydrophobicContact CB-CD1 4.4Å; D169-L173 WeakPolarHBondContact O-CB 3.31Å; D169-L173 WeakPolarHBondContact O-CG 3.45Å; D169-L173 PolarHBondContact O-N 3.15Å; E171-L173 VanDerWaalsContact C-N 3.3Å; E171-L173 PolarHBondContact O-N 2.9Å; L173-V175 HydrophobicContact CB-CG1 4.12Å |
| 174 | H | 98.1 | Very high | 97.6 | Very high | 125 Ų | 125 | 19.4 Ų | 19.4 | 58% | 0.579 | 10% | 0.097 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 48.8 | -179.9 | -54 | -56.7 | 0 | 0 | 0 | 113.4 | K33 E171 Y172 | K33-H174 WeakPolarHBondContact CD-O 3.27Å; E171-H174 WeakPolarHBondContact O-CA 3.43Å; E171-H174 PolarHBondContact O-N 3.07Å; E171-H174 PolarHBondContact O-ND1 3.36Å; Y172-H174 VanDerWaalsContact C-N 3.33Å |
| 175 | V | 98.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.024 | 11% | 0.113 | C | C | . | . | trans | -102.4 | 159.4 | -177.9 | -68 | 0 | 0 | 0 | 0 | 113.3 | K33 Y35 E170 L173 R203 | K33-V175 HydrophobicContact CB-CG1 4.48Å; Y35-V175 HydrophobicContact CD1-CB 4.43Å; Y35-V175 HydrophobicContact CD1-CG1 4.33Å; Y35-V175 HydrophobicContact CD1-CG2 3.63Å; Y35-V175 HydrophobicContact CE1-CG2 4.08Å; E170-V175 HydrophobicContact CB-CG2 4.31Å; E170-V175 WeakPolarHBondContact O-CG2 3.31Å; E170-V175 PolarHBondContact O-N 2.83Å; L173-V175 HydrophobicContact CB-CG1 4.12Å; V175-R203 WeakPolarHBondContact O-CG 3.1Å; V175-R203 PolarHBondContact O-NE 3.16Å | ||
| 176 | D | 98.7 | Very high | 97.6 | Very high | 18 Ų | 18 | 26.8 Ų | 26.8 | 10% | 0.096 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -90.2 | -27.5 | 170.6 | -55.5 | -54.1 | 0 | 0 | 0 | 112.2 | I26 R30 L32 K33 R203 I204 | I26-D176 HydrophobicContact CD1-CB 3.86Å; R30-D176 IonicContact CZ-OD1 3.06Å; R30-D176 IonicContact CZ-OD2 2.7Å; R30-D176 IonicContact NH1-OD1 3.37Å; R30-D176 IonicContact NH1-OD2 3.95Å; R30-D176 PolarHBondContact NH1-OD2 3.5Å; R30-D176 VanDerWaalsContact NH2-CG 3.27Å; R30-D176 IonicContact NH2-OD1 3.93Å; R30-D176 PolarHBondContact NH2-OD1 3.35Å; R30-D176 IonicContact NH2-OD2 3.88Å; R30-D176 PolarHBondContact NH2-OD2 3.4Å; L32-D176 HydrophobicContact CD1-CB 3.6Å; L32-D176 HydrophobicContact CG-CB 4.44Å; K33-D176 WeakPolarHBondContact CB-OD2 3.34Å; K33-D176 PolarHBondContact N-OD2 2.91Å; K33-D176 WeakPolarHBondContact O-CB 3.22Å; K33-D176 PolarHBondContact O-N 2.69Å; D176-R203 WeakPolarHBondContact O-CA 3.25Å; D176-R203 WeakPolarHBondContact O-CB 3.48Å; D176-I204 PolarHBondContact O-N 2.91Å |
| 177 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 148.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L32 K33 V34 Y35 I204 | L32-A177 HydrophobicContact CD1-CB 4.34Å; L32-A177 HydrophobicContact CD2-CB 4.07Å; L32-A177 HydrophobicContact CG-CB 4.37Å; K33-A177 PolarHBondContact O-N 3.3Å; V34-A177 VanDerWaalsContact CA-O 3.28Å; V34-A177 WeakPolarHBondContact CA-O 3.36Å; V34-A177 HydrophobicContact CB-CB 4.18Å; V34-A177 HydrophobicContact CG2-CB 4Å; Y35-A177 PolarHBondContact N-O 3.13Å; A177-I204 CarbonylContact C-O 3.53Å; A177-I204 WeakPolarHBondContact CA-O 3.29Å; A177-I204 HydrophobicContact CB-CB 3.78Å; A177-I204 HydrophobicContact CB-CG2 4.09Å; A177-I204 WeakPolarHBondContact CB-O 3.43Å |
| 178 | Q | 98.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 1% | 0.014 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 135 | 165.2 | -175.3 | 170.5 | 9.8 | 0 | 0 | 110.3 | Y35 Q166 E170 F188 I204 H205 L206 | Y35-Q178 HydrophobicContact CD1-CB 3.95Å; Y35-Q178 HydrophobicContact CD1-CG 3.95Å; Y35-Q178 HydrophobicContact CE1-CB 3.49Å; Y35-Q178 VanDerWaalsContact CE1-CB 3.49Å; Y35-Q178 VanDerWaalsContact CE1-CD 3.48Å; Y35-Q178 HydrophobicContact CE1-CG 3.38Å; Y35-Q178 HydrophobicContact CE2-CG 4.31Å; Y35-Q178 PolarHBondContact OH-NE2 3.34Å; Y35-Q178 PolarHBondContact OH-OE1 3.18Å; Y35-Q178 VanDerWaalsContact OH-OE1 3.06Å; Q166-Q178 VanDerWaalsContact NE2-NE2 3.11Å; E170-Q178 HydrophobicContact CG-CB 4.45Å; E170-Q178 PolarHBondContact OE1-OE1 3Å; Q178-F188 HydrophobicContact CB-CE1 4.44Å; Q178-F188 HydrophobicContact CG-CD1 4.49Å; Q178-F188 HydrophobicContact CG-CE1 3.69Å; Q178-F188 HydrophobicContact CG-CZ 3.93Å; Q178-I204 PolarHBondContact N-O 3.32Å; Q178-H205 WeakPolarHBondContact O-CA 3.44Å; Q178-L206 PolarHBondContact O-N 2.89Å |
| 179 | F | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.009 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 138.3 | 171.9 | 169.6 | -117.6 | 0 | 0 | 0 | 110.8 | L14 V34 Y35 W36 P51 K54 F58 L206 N208 | L14-F179 HydrophobicContact CD2-CD2 4.27Å; L14-F179 HydrophobicContact CD2-CE2 3.87Å; V34-F179 HydrophobicContact CG2-CB 4.01Å; Y35-F179 PolarHBondContact O-N 2.82Å; W36-F179 HydrophobicContact CB-CD1 4.04Å; W36-F179 AromaticContact CD1-CD1 3.71Å; W36-F179 HydrophobicContact CG-CD1 4.01Å; W36-F179 HydrophobicContact CG-CE1 4.47Å; P51-F179 HydrophobicContact CB-CE1 3.8Å; P51-F179 HydrophobicContact CB-CZ 4.25Å; K54-F179 HydrophobicContact CB-CE1 3.81Å; K54-F179 HydrophobicContact CB-CE2 4.12Å; K54-F179 HydrophobicContact CB-CZ 3.5Å; K54-F179 HydrophobicContact CG-CD2 4.15Å; K54-F179 HydrophobicContact CG-CE1 4.03Å; K54-F179 HydrophobicContact CG-CE2 3.59Å; K54-F179 HydrophobicContact CG-CZ 3.52Å; F58-F179 HydrophobicContact CE2-CB 3.66Å; F58-F179 AromaticContact CE2-CD1 3.7Å; F58-F179 HydrophobicContact CE2-CD1 3.7Å; F58-F179 HydrophobicContact CE2-CD2 4.17Å; F58-F179 HydrophobicContact CE2-CE1 4.45Å; F58-F179 AromaticContact CE2-CG 3.55Å; F58-F179 HydrophobicContact CE2-CG 3.55Å; F58-F179 HydrophobicContact CZ-CB 3.94Å; F58-F179 HydrophobicContact CZ-CD1 4.28Å; F58-F179 AromaticContact CZ-CD2 3.92Å; F58-F179 HydrophobicContact CZ-CD2 3.92Å; F58-F179 AromaticContact CZ-CG 3.77Å; F58-F179 HydrophobicContact CZ-CG 3.77Å; F179-L206 WeakPolarHBondContact CA-O 3.43Å; F179-L206 HydrophobicContact CB-CB 4.32Å; F179-L206 HydrophobicContact CD2-CB 4.03Å; F179-L206 VanDerWaalsContact CD2-O 3.29Å; F179-L206 WeakPolarHBondContact CD2-O 3.35Å; F179-N208 HydrophobicContact CE2-CB 3.87Å; F179-N208 HydrophobicContact CZ-CB 4.05Å |
| 180 | G | 97.4 | Very high | 97.6 | Very high | 5 Ų | 5 | 29 Ų | 29 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.4 | -173.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L206 M207 N208 | G180-L206 PolarHBondContact N-O 2.91Å; G180-M207 CarbonylContact O-C 3.48Å; G180-M207 WeakPolarHBondContact O-CA 3.24Å; G180-N208 PolarHBondContact O-N 2.99Å; G180-N208 PolarHBondContact O-OD1 3.41Å |
| 181 | G | 95 | Very high | 97.5 | Very high | 11 Ų | 11 | 29 Ų | 29 | 11% | 0.113 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 158.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D183 Q184 N208 | G181-D183 VanDerWaalsContact CA-OD1 3.29Å; G181-D183 WeakPolarHBondContact CA-OD1 3.43Å; G181-D183 PolarHBondContact O-N 3.19Å; G181-Q184 WeakPolarHBondContact O-CB 3.24Å; G181-Q184 WeakPolarHBondContact O-CG 3.5Å; G181-Q184 PolarHBondContact O-N 3.46Å; G181-N208 WeakPolarHBondContact CA-OD1 3.08Å; G181-N208 PolarHBondContact N-OD1 2.99Å; G181-N208 VanDerWaalsContact N-OD1 3.16Å |
| 182 | I | 94.6 | Very high | 97.5 | Very high | 46 Ų | 46 | 29.9 Ų | 29.9 | 24% | 0.236 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -61.1 | -21.2 | 172.2 | -166.9 | 65.5 | 0 | 0 | 0 | 112.4 | E16 Q184 R185 M207 N208 M210 | E16-I182 HydrophobicContact CB-CD1 4.14Å; E16-I182 WeakPolarHBondContact OE2-CD1 3.24Å; I182-Q184 PolarHBondContact O-N 3.07Å; I182-R185 HydrophobicContact CD1-CB 4.44Å; I182-R185 WeakPolarHBondContact O-CB 3.23Å; I182-R185 PolarHBondContact O-N 2.9Å; I182-R185 VanDerWaalsContact O-N 3.15Å; I182-M207 HydrophobicContact CD1-CB 3.95Å; I182-M207 HydrophobicContact CD1-CG 4.38Å; I182-M207 HydrophobicContact CD1-SD 3.74Å; I182-N208 PolarHBondContact N-O 2.78Å; I182-M210 HydrophobicContact CG2-CB 4.44Å; I182-M210 HydrophobicContact CG2-CG 3.49Å; I182-M210 VanDerWaalsContact CG2-CG 3.49Å; I182-M210 HydrophobicContact CG2-SD 3.87Å |
| 183 | D | 92.8 | Very high | 97.5 | Very high | 35 Ų | 35 | 33 Ų | 33 | 19% | 0.187 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -66.2 | -17.8 | 170.3 | 62.3 | -22.7 | 0 | 0 | 0 | 113.4 | V148 G181 R185 M210 | V148-D183 WeakPolarHBondContact CG2-O 3.3Å; G181-D183 VanDerWaalsContact CA-OD1 3.29Å; G181-D183 WeakPolarHBondContact CA-OD1 3.43Å; G181-D183 PolarHBondContact O-N 3.19Å; D183-R185 VanDerWaalsContact C-N 3.33Å; D183-M210 HydrophobicContact CB-CE 4.37Å; D183-M210 HydrophobicContact CB-SD 3.85Å |
| 184 | Q | 96.3 | Very high | 97.4 | Very high | 30 Ų | 30 | 32.9 Ų | 32.9 | 14% | 0.14 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -82.9 | -7.9 | 173.8 | -55.9 | -65.2 | -41.9 | 0 | 0 | 113.1 | Q166 G181 I182 K186 I187 F188 | Q166-Q184 VanDerWaalsContact NE2-OE1 3.15Å; G181-Q184 WeakPolarHBondContact O-CB 3.24Å; G181-Q184 WeakPolarHBondContact O-CG 3.5Å; G181-Q184 PolarHBondContact O-N 3.46Å; I182-Q184 PolarHBondContact O-N 3.07Å; Q184-K186 PolarHBondContact O-N 3.05Å; Q184-I187 WeakPolarHBondContact O-CA 3.31Å; Q184-I187 PolarHBondContact O-N 3.49Å; Q184-F188 HydrophobicContact CB-CD1 4.12Å; Q184-F188 HydrophobicContact CB-CD2 4.28Å; Q184-F188 HydrophobicContact CB-CE1 3.63Å; Q184-F188 HydrophobicContact CB-CE2 3.86Å; Q184-F188 HydrophobicContact CB-CG 4.42Å; Q184-F188 HydrophobicContact CB-CZ 3.5Å; Q184-F188 HydrophobicContact CG-CE1 4.43Å; Q184-F188 HydrophobicContact CG-CZ 4.2Å; Q184-F188 PolarHBondContact O-N 3.39Å |
| 185 | R | 97.4 | Very high | 97.4 | Very high | 101 Ų | 101 | 27 Ų | 27 | 38% | 0.381 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -51.9 | -38.8 | -171.8 | -173.4 | -179.9 | -167.6 | -74.6 | -5.6 | 113.6 | E16 I182 D183 F188 T189 M207 | E16-R185 IonicContact OE1-CZ 3.41Å; E16-R185 IonicContact OE1-NE 2.67Å; E16-R185 PolarHBondContact OE1-NE 3Å; E16-R185 IonicContact OE1-NH2 3.46Å; E16-R185 PolarHBondContact OE1-NH2 3.29Å; E16-R185 VanDerWaalsContact OE2-CD 3.31Å; E16-R185 WeakPolarHBondContact OE2-CD 3.39Å; E16-R185 IonicContact OE2-CZ 3.51Å; E16-R185 IonicContact OE2-NE 3.41Å; E16-R185 PolarHBondContact OE2-NE 3.49Å; E16-R185 IonicContact OE2-NH2 3.98Å; I182-R185 HydrophobicContact CD1-CB 4.44Å; I182-R185 WeakPolarHBondContact O-CB 3.23Å; I182-R185 PolarHBondContact O-N 2.9Å; I182-R185 VanDerWaalsContact O-N 3.15Å; D183-R185 VanDerWaalsContact C-N 3.33Å; R185-F188 PolarHBondContact O-N 2.88Å; R185-T189 WeakPolarHBondContact O-CG2 3.41Å; R185-T189 PolarHBondContact O-N 3.4Å; R185-T189 PolarHBondContact O-OG1 3.25Å; R185-T189 VanDerWaalsContact O-OG1 3.08Å; R185-M207 HydrophobicContact CB-SD 3.62Å; R185-M207 HydrophobicContact CG-CE 4.38Å; R185-M207 HydrophobicContact CG-SD 3.72Å |
| 186 | K | 97.7 | Very high | 97.4 | Very high | 74 Ų | 74 | 29.8 Ų | 29.8 | 32% | 0.322 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -67.1 | -36.4 | 178.4 | -68.8 | -179.4 | 175.9 | 160.6 | 0 | 112.5 | K143 A144 E147 Q184 T189 F190 | K143-K186 WeakPolarHBondContact O-CD 3.4Å; A144-K186 WeakPolarHBondContact O-CB 3.09Å; E147-K186 HydrophobicContact CG-CD 4.44Å; E147-K186 WeakPolarHBondContact OE1-CE 3.47Å; E147-K186 IonicContact OE1-NZ 2.7Å; E147-K186 PolarHBondContact OE1-NZ 2.7Å; Q184-K186 PolarHBondContact O-N 3.05Å; K186-T189 PolarHBondContact O-OG1 3.41Å; K186-T189 VanDerWaalsContact O-OG1 3.13Å; K186-F190 VanDerWaalsContact O-CB 3.28Å; K186-F190 WeakPolarHBondContact O-CB 3.41Å; K186-F190 PolarHBondContact O-N 2.93Å; K186-F190 VanDerWaalsContact O-N 3.09Å |
| 187 | I | 97.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71 | -41.1 | 173.9 | -59.6 | -175.6 | 0 | 0 | 0 | 110.4 | A144 V148 Y162 P163 Q166 Q184 F190 A191 | A144-I187 VanDerWaalsContact O-CG1 3.28Å; A144-I187 WeakPolarHBondContact O-CG1 3.26Å; V148-I187 HydrophobicContact CB-CD1 3.84Å; V148-I187 HydrophobicContact CG1-CD1 3.99Å; V148-I187 HydrophobicContact CG2-CD1 3.73Å; V148-I187 HydrophobicContact CG2-CG1 4.33Å; Y162-I187 HydrophobicContact CD1-CD1 4.12Å; Y162-I187 HydrophobicContact CE1-CD1 4.07Å; P163-I187 HydrophobicContact CB-CG1 4.35Å; P163-I187 HydrophobicContact CB-CG2 4.35Å; Q166-I187 HydrophobicContact CB-CG2 4.05Å; Q166-I187 HydrophobicContact CG-CG2 3.95Å; Q184-I187 WeakPolarHBondContact O-CA 3.31Å; Q184-I187 PolarHBondContact O-N 3.49Å; I187-F190 WeakPolarHBondContact O-CA 3.45Å; I187-F190 VanDerWaalsContact O-CB 3.29Å; I187-F190 WeakPolarHBondContact O-CB 3.42Å; I187-F190 PolarHBondContact O-N 2.94Å; I187-F190 VanDerWaalsContact O-N 3.13Å; I187-A191 PolarHBondContact O-N 3.05Å |
| 188 | F | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.6 | -49.1 | 177.3 | -68.2 | -5.8 | 0 | 0 | 0 | 112.3 | Q178 Q184 R185 F190 A191 E192 H205 M207 | Q178-F188 HydrophobicContact CB-CE1 4.44Å; Q178-F188 HydrophobicContact CG-CD1 4.49Å; Q178-F188 HydrophobicContact CG-CE1 3.69Å; Q178-F188 HydrophobicContact CG-CZ 3.93Å; Q184-F188 HydrophobicContact CB-CD1 4.12Å; Q184-F188 HydrophobicContact CB-CD2 4.28Å; Q184-F188 HydrophobicContact CB-CE1 3.63Å; Q184-F188 HydrophobicContact CB-CE2 3.86Å; Q184-F188 HydrophobicContact CB-CG 4.42Å; Q184-F188 HydrophobicContact CB-CZ 3.5Å; Q184-F188 HydrophobicContact CG-CE1 4.43Å; Q184-F188 HydrophobicContact CG-CZ 4.2Å; Q184-F188 PolarHBondContact O-N 3.39Å; R185-F188 PolarHBondContact O-N 2.88Å; F188-F190 PolarHBondContact O-N 3.28Å; F188-A191 WeakPolarHBondContact O-CB 3.44Å; F188-A191 PolarHBondContact O-N 3.32Å; F188-A191 VanDerWaalsContact O-N 3.13Å; F188-E192 PolarHBondContact O-N 3.41Å; F188-H205 HydrophobicContact CB-CB 4.04Å; F188-H205 WeakPolarHBondContact CB-CD2 3.22Å; F188-H205 AromaticContact CD1-CD2 3.49Å; F188-H205 VanDerWaalsContact CD1-CD2 3.49Å; F188-H205 WeakPolarHBondContact CD1-CD2 3.41Å; F188-H205 AromaticContact CD1-NE2 3.98Å; F188-H205 HydrophobicContact CD2-CB 3.66Å; F188-H205 AromaticContact CD2-CD2 3.66Å; F188-H205 AromaticContact CD2-CG 3.91Å; F188-H205 HydrophobicContact CE2-CB 4.32Å; F188-H205 HydrophobicContact CG-CB 4.02Å; F188-H205 AromaticContact CG-CD2 3.2Å; F188-H205 WeakPolarHBondContact CG-CD2 3.48Å; F188-H205 AromaticContact CG-CG 3.73Å; F188-H205 AromaticContact CG-NE2 3.91Å; F188-H205 PolarHBondContact O-CE1 3.02Å; F188-M207 HydrophobicContact CD2-CG 3.64Å; F188-M207 HydrophobicContact CD2-SD 3.75Å; F188-M207 HydrophobicContact CE2-CG 3.53Å; F188-M207 HydrophobicContact CE2-SD 4.25Å |
| 189 | T | 97.8 | Very high | 97.1 | Very high | 54 Ų | 54 | 38.8 Ų | 38.8 | 33% | 0.331 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.9 | -28.1 | 175 | 57.5 | 0 | 0 | 0 | 0 | 113 | L18 R185 K186 K193 | L18-T189 HydrophobicContact CD1-CG2 4.18Å; R185-T189 WeakPolarHBondContact O-CG2 3.41Å; R185-T189 PolarHBondContact O-N 3.4Å; R185-T189 PolarHBondContact O-OG1 3.25Å; R185-T189 VanDerWaalsContact O-OG1 3.08Å; K186-T189 PolarHBondContact O-OG1 3.41Å; K186-T189 VanDerWaalsContact O-OG1 3.13Å; T189-K193 PolarHBondContact O-N 3.47Å |
| 190 | F | 98.2 | Very high | 97.1 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 4% | 0.039 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.1 | -42.8 | 171.4 | 170 | -80.9 | 0 | 0 | 0 | 111.3 | V136 A144 P163 A167 K186 I187 F188 K193 H194 | V136-F190 HydrophobicContact CB-CZ 4.41Å; V136-F190 HydrophobicContact CG1-CE2 3.62Å; V136-F190 HydrophobicContact CG1-CZ 3.82Å; V136-F190 HydrophobicContact CG2-CE2 4Å; V136-F190 HydrophobicContact CG2-CZ 3.65Å; A144-F190 HydrophobicContact CB-CB 3.68Å; A144-F190 HydrophobicContact CB-CD2 3.62Å; A144-F190 HydrophobicContact CB-CE2 4.44Å; A144-F190 HydrophobicContact CB-CG 3.75Å; P163-F190 HydrophobicContact CB-CD1 4.03Å; P163-F190 HydrophobicContact CB-CE1 4.07Å; P163-F190 HydrophobicContact CB-CG 4.35Å; P163-F190 HydrophobicContact CB-CZ 4.38Å; A167-F190 HydrophobicContact CB-CD1 4.27Å; A167-F190 HydrophobicContact CB-CE1 4.21Å; K186-F190 VanDerWaalsContact O-CB 3.28Å; K186-F190 WeakPolarHBondContact O-CB 3.41Å; K186-F190 PolarHBondContact O-N 2.93Å; K186-F190 VanDerWaalsContact O-N 3.09Å; I187-F190 WeakPolarHBondContact O-CA 3.45Å; I187-F190 VanDerWaalsContact O-CB 3.29Å; I187-F190 WeakPolarHBondContact O-CB 3.42Å; I187-F190 PolarHBondContact O-N 2.94Å; I187-F190 VanDerWaalsContact O-N 3.13Å; F188-F190 PolarHBondContact O-N 3.28Å; F190-K193 PolarHBondContact O-N 3.39Å; F190-H194 AromaticContact CD2-CE1 3.4Å; F190-H194 WeakPolarHBondContact CD2-CE1 3.3Å; F190-H194 AromaticContact CD2-ND1 3.43Å; F190-H194 WeakPolarHBondContact CD2-ND1 3.48Å; F190-H194 AromaticContact CE2-CE1 3.45Å; F190-H194 VanDerWaalsContact CE2-CE1 3.45Å; F190-H194 WeakPolarHBondContact CE2-CE1 3.12Å; F190-H194 AromaticContact CE2-ND1 3.51Å; F190-H194 AromaticContact CG-ND1 3.71Å; F190-H194 AromaticContact CZ-ND1 3.84Å; F190-H194 PolarHBondContact O-N 3.4Å; F190-H194 PolarHBondContact O-ND1 3.02Å |
| 191 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.2 | -45.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A167 E170 I187 F188 K193 H194 L195 | A167-A191 HydrophobicContact CB-CB 3.63Å; E170-A191 WeakPolarHBondContact OE1-CB 3.43Å; I187-A191 PolarHBondContact O-N 3.05Å; F188-A191 WeakPolarHBondContact O-CB 3.44Å; F188-A191 PolarHBondContact O-N 3.32Å; F188-A191 VanDerWaalsContact O-N 3.13Å; A191-K193 PolarHBondContact O-N 2.75Å; A191-H194 PolarHBondContact O-N 2.97Å; A191-L195 HydrophobicContact CB-CD1 4.28Å; A191-L195 HydrophobicContact CB-CG 4.48Å; A191-L195 WeakPolarHBondContact O-CB 3.34Å; A191-L195 WeakPolarHBondContact O-CG 3.32Å; A191-L195 PolarHBondContact O-N 3.42Å |
| 192 | E | 97.6 | Very high | 97.2 | Very high | 54 Ų | 54 | 52.4 Ų | 52.4 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.3 | -34.2 | 176.1 | -69.1 | -168.4 | -180 | 0 | 0 | 113.1 | L18 F188 P196 H205 | L18-E192 WeakPolarHBondContact CB-OE1 3.35Å; F188-E192 PolarHBondContact O-N 3.41Å; E192-P196 WeakPolarHBondContact O-CD 3.25Å; E192-P196 WeakPolarHBondContact O-CG 3.48Å; E192-H205 VanDerWaalsContact CG-CE1 3.45Å; E192-H205 WeakPolarHBondContact CG-CE1 3.32Å; E192-H205 IonicContact OE1-CE1 3.46Å; E192-H205 IonicContact OE1-ND1 3.43Å; E192-H205 PolarHBondContact OE1-ND1 3.31Å |
| 193 | K | 97.5 | Very high | 97.3 | Very high | 114 Ų | 114 | 51.2 Ų | 51.2 | 50% | 0.496 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -75.8 | -46 | 178.3 | 176.6 | 179.3 | 169 | -173 | 0 | 112.4 | D140 T189 F190 A191 | D140-K193 IonicContact OD2-NZ 3.45Å; D140-K193 PolarHBondContact OD2-NZ 2.86Å; T189-K193 PolarHBondContact O-N 3.47Å; F190-K193 PolarHBondContact O-N 3.39Å; A191-K193 PolarHBondContact O-N 2.75Å |
| 194 | H | 97.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.019 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -100.5 | -25.5 | -164.6 | -58.7 | 95.2 | 0 | 0 | 0 | 114.9 | L132 V136 D140 F190 A191 M197 | L132-H194 HydrophobicContact CD1-CB 3.69Å; V136-H194 HydrophobicContact CG2-CB 4.41Å; D140-H194 IonicContact OD2-NE2 3.17Å; F190-H194 AromaticContact CD2-CE1 3.4Å; F190-H194 WeakPolarHBondContact CD2-CE1 3.3Å; F190-H194 AromaticContact CD2-ND1 3.43Å; F190-H194 WeakPolarHBondContact CD2-ND1 3.48Å; F190-H194 AromaticContact CE2-CE1 3.45Å; F190-H194 VanDerWaalsContact CE2-CE1 3.45Å; F190-H194 WeakPolarHBondContact CE2-CE1 3.12Å; F190-H194 AromaticContact CE2-ND1 3.51Å; F190-H194 AromaticContact CG-ND1 3.71Å; F190-H194 AromaticContact CZ-ND1 3.84Å; F190-H194 PolarHBondContact O-N 3.4Å; F190-H194 PolarHBondContact O-ND1 3.02Å; A191-H194 PolarHBondContact O-N 2.97Å; H194-M197 WeakPolarHBondContact O-CB 3.47Å; H194-M197 PolarHBondContact O-N 2.61Å; H194-M197 VanDerWaalsContact O-N 3.07Å |
| 195 | L | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -58.5 | -42.4 | 174.2 | -71.4 | -178.2 | 0 | 0 | 0 | 112.8 | A167 L168 E170 A191 M197 L198 G199 Y200 | A167-L195 HydrophobicContact CB-CD2 4.28Å; A167-L195 HydrophobicContact CB-CG 4.39Å; L168-L195 HydrophobicContact CD2-CD2 4.33Å; E170-L195 HydrophobicContact CB-CD1 4.08Å; E170-L195 WeakPolarHBondContact OE2-CD1 3.37Å; A191-L195 HydrophobicContact CB-CD1 4.28Å; A191-L195 HydrophobicContact CB-CG 4.48Å; A191-L195 WeakPolarHBondContact O-CB 3.34Å; A191-L195 WeakPolarHBondContact O-CG 3.32Å; A191-L195 PolarHBondContact O-N 3.42Å; L195-M197 PolarHBondContact O-N 2.63Å; L195-L198 PolarHBondContact O-N 2.88Å; L195-G199 PolarHBondContact O-N 3.07Å; L195-Y200 CarbonylContact C-O 3.37Å; L195-Y200 HydrophobicContact CD2-CD2 4.33Å; L195-Y200 PolarHBondContact O-N 3.19Å; L195-Y200 VanDerWaalsContact O-N 3.09Å |
| 196 | P | 97.8 | Very high | 97.8 | Very high | 63 Ų | 63 | 43.4 Ų | 43.4 | 41% | 0.409 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -59.2 | -27.7 | 173.9 | -27.4 | 37.5 | 0 | 0 | 0 | 114.6 | E192 L198 G199 Y200 | E192-P196 WeakPolarHBondContact O-CD 3.25Å; E192-P196 WeakPolarHBondContact O-CG 3.48Å; P196-L198 PolarHBondContact O-N 2.97Å; P196-G199 PolarHBondContact O-N 2.82Å; P196-Y200 VanDerWaalsContact CA-O 3.23Å; P196-Y200 WeakPolarHBondContact CA-O 3.11Å |
| 197 | M | 96.9 | Very high | 97.8 | Very high | 107 Ų | 107 | 39.9 Ų | 39.9 | 53% | 0.527 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -71.3 | -19.3 | 178 | -58.8 | 179.4 | 69.3 | 0 | 0 | 112.6 | I135 H194 L195 | I135-M197 HydrophobicContact CB-CE 4Å; I135-M197 HydrophobicContact CD1-CB 3.47Å; I135-M197 VanDerWaalsContact CD1-CB 3.47Å; I135-M197 HydrophobicContact CD1-CE 3.98Å; I135-M197 HydrophobicContact CD1-CG 4.35Å; I135-M197 HydrophobicContact CD1-SD 4.06Å; I135-M197 HydrophobicContact CG1-CE 4.47Å; I135-M197 HydrophobicContact CG2-CE 4.41Å; H194-M197 WeakPolarHBondContact O-CB 3.47Å; H194-M197 PolarHBondContact O-N 2.61Å; H194-M197 VanDerWaalsContact O-N 3.07Å; L195-M197 PolarHBondContact O-N 2.63Å |
| 198 | L | 96.5 | Very high | 97.7 | Very high | 36 Ų | 36 | 40.8 Ų | 40.8 | 19% | 0.188 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -92.5 | -1.5 | 170.5 | -61.9 | -179.6 | 0 | 0 | 0 | 112.9 | D128 K131 L132 I135 L168 L195 P196 Y200 | D128-L198 HydrophobicContact CB-CD1 4.44Å; K131-L198 HydrophobicContact CB-CD2 3.51Å; K131-L198 HydrophobicContact CD-CD2 4.26Å; L132-L198 HydrophobicContact CB-CD1 4.16Å; L132-L198 HydrophobicContact CD1-CD1 4.11Å; L132-L198 HydrophobicContact CD1-CG 4.4Å; I135-L198 HydrophobicContact CD1-CD2 4.26Å; L168-L198 HydrophobicContact CD2-CD1 3.8Å; L195-L198 PolarHBondContact O-N 2.88Å; P196-L198 PolarHBondContact O-N 2.97Å; L198-Y200 HydrophobicContact CB-CD2 3.64Å; L198-Y200 HydrophobicContact CB-CE2 3.74Å; L198-Y200 HydrophobicContact CD1-CD2 4.17Å; L198-Y200 HydrophobicContact CD1-CE2 4.03Å |
| 199 | G | 97.3 | Very high | 97.3 | Very high | 68 Ų | 68 | 41.8 Ų | 41.8 | 70% | 0.701 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | 8.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L195 P196 | L195-G199 PolarHBondContact O-N 3.07Å; P196-G199 PolarHBondContact O-N 2.82Å |
| 200 | Y | 98.1 | Very high | 96.7 | Very high | 55 Ų | 55 | 43.3 Ų | 43.3 | 22% | 0.216 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -91.6 | 151.5 | 177.3 | -58.2 | -49.2 | 0 | 0 | 0 | 112.1 | D128 E171 L195 P196 L198 | D128-Y200 PolarHBondContact OD2-OH 3.43Å; E171-Y200 HydrophobicContact CB-CD2 4.33Å; E171-Y200 HydrophobicContact CB-CG 4.29Å; E171-Y200 HydrophobicContact CG-CD1 3.59Å; E171-Y200 HydrophobicContact CG-CD2 4Å; E171-Y200 HydrophobicContact CG-CE1 3.73Å; E171-Y200 HydrophobicContact CG-CE2 4.12Å; E171-Y200 HydrophobicContact CG-CG 3.76Å; E171-Y200 WeakPolarHBondContact OE2-CD1 3.29Å; L195-Y200 CarbonylContact C-O 3.37Å; L195-Y200 HydrophobicContact CD2-CD2 4.33Å; L195-Y200 PolarHBondContact O-N 3.19Å; L195-Y200 VanDerWaalsContact O-N 3.09Å; P196-Y200 VanDerWaalsContact CA-O 3.23Å; P196-Y200 WeakPolarHBondContact CA-O 3.11Å; L198-Y200 HydrophobicContact CB-CD2 3.64Å; L198-Y200 HydrophobicContact CB-CE2 3.74Å; L198-Y200 HydrophobicContact CD1-CD2 4.17Å; L198-Y200 HydrophobicContact CD1-CE2 4.03Å |
| 201 | E | 96.8 | Very high | 95.7 | Very high | 125 Ų | 125 | 44 Ų | 44 | 58% | 0.584 | 23% | 0.23 | S | C | * | . | P | Polyproline II helix | trans | -69.4 | 149.8 | 177.8 | -66.5 | -165.7 | 177.9 | 0 | 0 | 112.4 | K22 R203 | K22-E201 IonicContact NZ-OE2 3.71Å; K22-E201 PolarHBondContact NZ-OE2 2.91Å; E201-R203 VanDerWaalsContact O-CD 3.31Å; E201-R203 WeakPolarHBondContact O-CD 3.13Å; E201-R203 PolarHBondContact O-NH1 2.83Å |
| 202 | K | 97.2 | Very high | 94.3 | Very high | 124 Ų | 124 | 45.4 Ų | 45.4 | 54% | 0.539 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -68.9 | 140.8 | 162.8 | 66.6 | -179.8 | -176 | 176.5 | 0 | 111 | K22 | K22-K202 PolarHBondContact NZ-O 2.91Š|
| 203 | R | 98.5 | Very high | 92.9 | Very high | 21 Ų | 21 | 42.8 Ų | 42.8 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -97.5 | 165.2 | 175.5 | -81.4 | 60 | -171 | -174.7 | -4.9 | 111.7 | E170 E171 V175 D176 E201 H205 | E170-R203 HydrophobicContact CB-CG 4.03Å; E170-R203 HydrophobicContact CG-CB 4.44Å; E170-R203 HydrophobicContact CG-CG 4.28Å; E170-R203 VanDerWaalsContact OE2-CB 3.27Å; E170-R203 WeakPolarHBondContact OE2-CB 3.43Å; E171-R203 IonicContact OE2-CZ 3.23Å; E171-R203 IonicContact OE2-NH1 3.81Å; E171-R203 PolarHBondContact OE2-NH1 2.88Å; E171-R203 IonicContact OE2-NH2 3.52Å; E171-R203 PolarHBondContact OE2-NH2 3.09Å; V175-R203 WeakPolarHBondContact O-CG 3.1Å; V175-R203 PolarHBondContact O-NE 3.16Å; D176-R203 WeakPolarHBondContact O-CA 3.25Å; D176-R203 WeakPolarHBondContact O-CB 3.48Å; E201-R203 VanDerWaalsContact O-CD 3.31Å; E201-R203 WeakPolarHBondContact O-CD 3.13Å; E201-R203 PolarHBondContact O-NH1 2.83Å; R203-H205 PolarHBondContact O-ND1 2.62Å |
| 204 | I | 98.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 138.6 | 170.8 | -65.3 | 152.3 | 0 | 0 | 0 | 108.1 | L18 K22 L23 I26 L32 D176 A177 Q178 L206 | L18-I204 WeakPolarHBondContact O-CA 3.19Å; L18-I204 WeakPolarHBondContact O-CG2 3.36Å; K22-I204 HydrophobicContact CB-CD1 4.25Å; K22-I204 HydrophobicContact CB-CG1 4.18Å; K22-I204 HydrophobicContact CD-CG1 4.35Å; K22-I204 HydrophobicContact CG-CD1 4.11Å; K22-I204 HydrophobicContact CG-CG1 4.29Å; L23-I204 HydrophobicContact CB-CD1 3.85Å; L23-I204 HydrophobicContact CB-CG1 4.45Å; L23-I204 HydrophobicContact CB-CG2 4.4Å; L23-I204 HydrophobicContact CD1-CD1 4.44Å; I26-I204 HydrophobicContact CD1-CD1 3.95Å; L32-I204 HydrophobicContact CD1-CD1 4.02Å; D176-I204 PolarHBondContact O-N 2.91Å; A177-I204 CarbonylContact C-O 3.53Å; A177-I204 WeakPolarHBondContact CA-O 3.29Å; A177-I204 HydrophobicContact CB-CB 3.78Å; A177-I204 HydrophobicContact CB-CG2 4.09Å; A177-I204 WeakPolarHBondContact CB-O 3.43Å; Q178-I204 PolarHBondContact N-O 3.32Å; I204-L206 HydrophobicContact CG2-CD2 3.9Å; I204-L206 HydrophobicContact CG2-CG 4.27Å |
| 205 | H | 98.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124.4 | 176.1 | -62.8 | 98.3 | 0 | 0 | 0 | 111.2 | L18 E170 Q178 F188 E192 R203 | L18-H205 HydrophobicContact CB-CB 4.1Å; L18-H205 HydrophobicContact CD1-CB 4.27Å; L18-H205 HydrophobicContact CG-CB 4.49Å; L18-H205 PolarHBondContact N-O 2.78Å; L18-H205 PolarHBondContact O-N 3.02Å; E170-H205 IonicContact OE1-NE2 3.93Å; E170-H205 PolarHBondContact OE1-NE2 3.14Å; Q178-H205 WeakPolarHBondContact O-CA 3.44Å; F188-H205 HydrophobicContact CB-CB 4.04Å; F188-H205 WeakPolarHBondContact CB-CD2 3.22Å; F188-H205 AromaticContact CD1-CD2 3.49Å; F188-H205 VanDerWaalsContact CD1-CD2 3.49Å; F188-H205 WeakPolarHBondContact CD1-CD2 3.41Å; F188-H205 AromaticContact CD1-NE2 3.98Å; F188-H205 HydrophobicContact CD2-CB 3.66Å; F188-H205 AromaticContact CD2-CD2 3.66Å; F188-H205 AromaticContact CD2-CG 3.91Å; F188-H205 HydrophobicContact CE2-CB 4.32Å; F188-H205 HydrophobicContact CG-CB 4.02Å; F188-H205 AromaticContact CG-CD2 3.2Å; F188-H205 WeakPolarHBondContact CG-CD2 3.48Å; F188-H205 AromaticContact CG-CG 3.73Å; F188-H205 AromaticContact CG-NE2 3.91Å; F188-H205 PolarHBondContact O-CE1 3.02Å; E192-H205 VanDerWaalsContact CG-CE1 3.45Å; E192-H205 WeakPolarHBondContact CG-CE1 3.32Å; E192-H205 IonicContact OE1-CE1 3.46Å; E192-H205 IonicContact OE1-ND1 3.43Å; E192-H205 PolarHBondContact OE1-ND1 3.31Å; R203-H205 PolarHBondContact O-ND1 2.62Å |
| 206 | L | 98.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 119.1 | -178.8 | -57.7 | -180 | 0 | 0 | 0 | 108.5 | I10 L14 V17 L23 V34 F58 Q178 F179 G180 I204 | I10-L206 HydrophobicContact CG2-CD1 3.77Å; I10-L206 HydrophobicContact CG2-CD2 4.46Å; L14-L206 HydrophobicContact CD1-CB 3.74Å; L14-L206 HydrophobicContact CD1-CD2 3.83Å; L14-L206 HydrophobicContact CD1-CG 4.24Å; V17-L206 HydrophobicContact CG1-CD2 3.91Å; V17-L206 HydrophobicContact CG2-CD2 4.13Å; L23-L206 HydrophobicContact CD2-CD2 4.41Å; V34-L206 HydrophobicContact CG2-CD1 4.47Å; F58-L206 HydrophobicContact CE1-CD1 3.74Å; F58-L206 HydrophobicContact CZ-CD1 3.67Å; Q178-L206 PolarHBondContact O-N 2.89Å; F179-L206 WeakPolarHBondContact CA-O 3.43Å; F179-L206 HydrophobicContact CB-CB 4.32Å; F179-L206 HydrophobicContact CD2-CB 4.03Å; F179-L206 VanDerWaalsContact CD2-O 3.29Å; F179-L206 WeakPolarHBondContact CD2-O 3.35Å; G180-L206 PolarHBondContact N-O 2.91Å; I204-L206 HydrophobicContact CG2-CD2 3.9Å; I204-L206 HydrophobicContact CG2-CG 4.27Å |
| 207 | M | 98.3 | Very high | 86 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 117.4 | -172 | -73.5 | 169.7 | -79.2 | 0 | 0 | 112.4 | L14 A15 E16 L18 G180 I182 R185 F188 | L14-M207 CarbonylContact C-O 3.54Å; L14-M207 WeakPolarHBondContact CA-O 3.47Å; A15-M207 PolarHBondContact N-O 3.04Å; E16-M207 HydrophobicContact CB-CB 4.37Å; E16-M207 HydrophobicContact CB-CE 3.79Å; E16-M207 HydrophobicContact CG-CE 3.66Å; E16-M207 PolarHBondContact N-O 2.93Å; E16-M207 PolarHBondContact O-N 2.83Å; E16-M207 WeakPolarHBondContact OE2-CE 3.39Å; L18-M207 HydrophobicContact CD1-CE 3.77Å; L18-M207 HydrophobicContact CG-CE 3.68Å; G180-M207 CarbonylContact O-C 3.48Å; G180-M207 WeakPolarHBondContact O-CA 3.24Å; I182-M207 HydrophobicContact CD1-CB 3.95Å; I182-M207 HydrophobicContact CD1-CG 4.38Å; I182-M207 HydrophobicContact CD1-SD 3.74Å; R185-M207 HydrophobicContact CB-SD 3.62Å; R185-M207 HydrophobicContact CG-CE 4.38Å; R185-M207 HydrophobicContact CG-SD 3.72Å; F188-M207 HydrophobicContact CD2-CG 3.64Å; F188-M207 HydrophobicContact CD2-SD 3.75Å; F188-M207 HydrophobicContact CE2-CG 3.53Å; F188-M207 HydrophobicContact CE2-SD 4.25Å |
| 208 | N | 94.4 | Very high | 84.3 | Confident | 21 Ų | 21 | 45 Ų | 45 | 11% | 0.112 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 150.4 | 170.1 | 68.4 | -61.2 | 0 | 0 | 0 | 111 | L14 V50 F179 G180 G181 I182 | L14-N208 HydrophobicContact CD2-CB 4.46Å; V50-N208 WeakPolarHBondContact CG1-ND2 3.49Å; F179-N208 HydrophobicContact CE2-CB 3.87Å; F179-N208 HydrophobicContact CZ-CB 4.05Å; G180-N208 PolarHBondContact O-N 2.99Å; G180-N208 PolarHBondContact O-OD1 3.41Å; G181-N208 WeakPolarHBondContact CA-OD1 3.08Å; G181-N208 PolarHBondContact N-OD1 2.99Å; G181-N208 VanDerWaalsContact N-OD1 3.16Å; I182-N208 PolarHBondContact N-O 2.78Å |
| 209 | P | 91.2 | Very high | 82.7 | Confident | 21 Ų | 21 | 44.5 Ų | 44.5 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | trans | -63.9 | 156.4 | 174.8 | 24.7 | -31.8 | 0 | 0 | 0 | 111.5 | N13 A15 V211 Y262 | N13-P209 VanDerWaalsContact O-CD 3.25Å; N13-P209 WeakPolarHBondContact O-CD 3.49Å; A15-P209 HydrophobicContact CB-CB 4.05Å; P209-V211 PolarHBondContact O-N 3.36Å; P209-V211 VanDerWaalsContact O-N 3.14Å; P209-Y262 HydrophobicContact CG-CD1 4.22Å; P209-Y262 HydrophobicContact CG-CE1 3.43Å; P209-Y262 VanDerWaalsContact CG-CE1 3.43Å; P209-Y262 HydrophobicContact CG-CE2 4.18Å; P209-Y262 VanDerWaalsContact CG-CZ 3.42Å; P209-Y262 WeakPolarHBondContact CG-OH 3.37Å | ||
| 210 | M | 83.5 | Confident | 80.8 | Confident | 86 Ų | 86 | 43.2 Ų | 43.2 | 42% | 0.424 | 22% | 0.219 | S | C | . | . | trans | -67.2 | 111 | 165.1 | -63.4 | -49.9 | -70.1 | 0 | 0 | 108.7 | I182 D183 K218 | I182-M210 HydrophobicContact CG2-CB 4.44Å; I182-M210 HydrophobicContact CG2-CG 3.49Å; I182-M210 VanDerWaalsContact CG2-CG 3.49Å; I182-M210 HydrophobicContact CG2-SD 3.87Å; D183-M210 HydrophobicContact CB-CE 4.37Å; D183-M210 HydrophobicContact CB-SD 3.85Å; M210-K218 HydrophobicContact CE-CD 4.47Å | ||
| 211 | V | 77.2 | Confident | 78.9 | Confident | 23 Ų | 23 | 42.7 Ų | 42.7 | 14% | 0.139 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -82.4 | 120.3 | 175.2 | 171.5 | 0 | 0 | 0 | 0 | 108.7 | V50 P209 M219 T258 Y262 | V50-V211 HydrophobicContact CB-CG2 4.46Å; V50-V211 HydrophobicContact CG1-CG2 3.81Å; V50-V211 HydrophobicContact CG2-CB 4.13Å; V50-V211 HydrophobicContact CG2-CG1 4.17Å; V50-V211 HydrophobicContact CG2-CG2 3.84Å; P209-V211 PolarHBondContact O-N 3.36Å; P209-V211 VanDerWaalsContact O-N 3.14Å; V211-M219 HydrophobicContact CG1-CE 4.42Å; V211-T258 HydrophobicContact CB-CG2 4.46Å; V211-T258 HydrophobicContact CG1-CG2 3.87Å; V211-T258 HydrophobicContact CG2-CG2 4.31Å; V211-Y262 HydrophobicContact CG2-CD2 3.81Å; V211-Y262 HydrophobicContact CG2-CE2 4.39Å; V211-Y262 HydrophobicContact CG2-CG 4.03Å |
| 212 | P | 70.8 | Confident | 77 | Confident | 30 Ų | 30 | 41.6 Ų | 41.6 | 20% | 0.195 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -59.3 | 150.4 | 175.3 | 25 | -31.3 | 0 | 0 | 0 | 110.2 | T258 | P212-T258 HydrophobicContact CG-CG2 4.18Å |
| 213 | G | 67.6 | Low | 75.4 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 165.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113 | T215 G216 D217 G255 | G213-T215 PolarHBondContact O-N 2.94Å; G213-T215 VanDerWaalsContact O-N 3.16Å; G213-G216 PolarHBondContact O-N 2.8Å; G213-D217 WeakPolarHBondContact CA-O 3.2Å; G213-D217 PolarHBondContact N-O 2.84Å; G213-G255 WeakPolarHBondContact O-CA 3.32Å |
| 214 | L | 66.3 | Low | 73.9 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -27.3 | 176 | -66.4 | 168.8 | 0 | 0 | 0 | 111 | I46 G216 I228 L241 A244 F245 | I46-L214 HydrophobicContact CG2-CD1 4.37Å; L214-G216 VanDerWaalsContact C-N 3.27Å; L214-G216 PolarHBondContact O-N 3.49Å; L214-I228 HydrophobicContact CD1-CB 4.24Å; L214-I228 HydrophobicContact CD1-CD1 3.2Å; L214-I228 HydrophobicContact CD1-CG1 3.49Å; L214-I228 VanDerWaalsContact CD1-CG1 3.49Å; L214-L241 HydrophobicContact CD1-CD2 4.1Å; L214-L241 HydrophobicContact CD2-CD2 3.86Å; L214-A244 HydrophobicContact CB-CB 4.22Å; L214-A244 WeakPolarHBondContact O-CA 3.45Å; L214-A244 WeakPolarHBondContact O-CB 3.17Å; L214-F245 PolarHBondContact O-N 3.39Å |
| 215 | T | 61 | Low | 72.3 | Confident | 43 Ų | 43 | 52.5 Ų | 52.5 | 26% | 0.264 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -1.5 | 174 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | G213 D217 | G213-T215 PolarHBondContact O-N 2.94Å; G213-T215 VanDerWaalsContact O-N 3.16Å; T215-D217 VanDerWaalsContact C-N 3.34Å |
| 216 | G | 57.9 | Low | 70.8 | Confident | 17 Ų | 17 | 53 Ų | 53 | 18% | 0.175 | 29% | 0.292 | C | S | . | . | S | Bend | trans | 92.1 | -22 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G213 L214 | G213-G216 PolarHBondContact O-N 2.8Å; L214-G216 VanDerWaalsContact C-N 3.27Å; L214-G216 PolarHBondContact O-N 3.49Å |
| 217 | D | 60 | Low | 69.8 | Low | 122 Ų | 122 | 54.2 Ų | 54.2 | 65% | 0.652 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -94.1 | 168.4 | 176.9 | -68.8 | -43.2 | 0 | 0 | 0 | 112.9 | G213 T215 M219 | G213-D217 WeakPolarHBondContact CA-O 3.2Å; G213-D217 PolarHBondContact N-O 2.84Å; T215-D217 VanDerWaalsContact C-N 3.34Å; D217-M219 PolarHBondContact O-N 3.24Å |
| 218 | K | 61.9 | Low | 69.3 | Low | 144 Ų | 144 | 54.2 Ų | 54.2 | 63% | 0.626 | 30% | 0.297 | S | S | * | . | B | Isolated β-bridge | trans | -54.3 | 122.8 | 176.9 | -172.5 | 173.9 | -179.3 | 172.2 | 0 | 110.5 | M210 S220 | M210-K218 HydrophobicContact CE-CD 4.47Å; K218-S220 PolarHBondContact O-N 3.18Å |
| 219 | M | 62.4 | Low | 69.1 | Low | 27 Ų | 27 | 54.1 Ų | 54.1 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 126.9 | 174.3 | -69 | -166.9 | -108.4 | 0 | 0 | 109.7 | A47 V211 D217 | A47-M219 HydrophobicContact CB-CE 3.38Å; A47-M219 HydrophobicContact CB-SD 3.73Å; V211-M219 HydrophobicContact CG1-CE 4.42Å; D217-M219 PolarHBondContact O-N 3.24Å |
| 220 | S | 58.5 | Low | 69.1 | Low | 41 Ų | 41 | 53.1 Ų | 53.1 | 29% | 0.287 | 29% | 0.29 | S | S | . | . | trans | -119.5 | 133.8 | 171.6 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | K218 S222 I223 | K218-S220 PolarHBondContact O-N 3.18Å; S220-S222 PolarHBondContact O-N 2.99Å; S220-S222 VanDerWaalsContact O-N 3.07Å; S220-S222 PolarHBondContact OG-N 3.3Å; S220-S222 VanDerWaalsContact OG-N 3.14Å; S220-S222 PolarHBondContact OG-OG 3.46Å; S220-I223 PolarHBondContact O-N 3.1Å | ||
| 221 | A | 57.2 | Low | 69.4 | Low | 44 Ų | 44 | 51.3 Ų | 51.3 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -18.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K227 | A221-K227 WeakPolarHBondContact O-CE 3.39Å; A221-K227 PolarHBondContact O-NZ 3.06Å |
| 222 | S | 57.6 | Low | 70.1 | Confident | 102 Ų | 102 | 51.3 Ų | 51.3 | 71% | 0.713 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -11.8 | -177 | 69.7 | 0 | 0 | 0 | 0 | 115.2 | S220 | S220-S222 PolarHBondContact O-N 2.99Å; S220-S222 VanDerWaalsContact O-N 3.07Å; S220-S222 PolarHBondContact OG-N 3.3Å; S220-S222 VanDerWaalsContact OG-N 3.14Å; S220-S222 PolarHBondContact OG-OG 3.46Å |
| 223 | I | 63.4 | Low | 71.2 | Confident | 96 Ų | 96 | 53.3 Ų | 53.3 | 49% | 0.492 | 29% | 0.29 | S | S | . | . | trans | -112.8 | 103.3 | -180 | -57.1 | 172.5 | 0 | 0 | 0 | 107.4 | S220 E225 S226 | S220-I223 PolarHBondContact O-N 3.1Å; I223-E225 VanDerWaalsContact C-N 3.26Å; I223-E225 PolarHBondContact O-N 3.06Å; I223-S226 WeakPolarHBondContact CB-OG 3.36Å; I223-S226 PolarHBondContact O-N 3.05Å; I223-S226 VanDerWaalsContact O-N 3.13Å; I223-S226 PolarHBondContact O-OG 3.17Å; I223-S226 VanDerWaalsContact O-OG 3.09Å | ||
| 224 | E | 65.7 | Low | 72.5 | Confident | 151 Ų | 151 | 56 Ų | 56 | 71% | 0.706 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -60.9 | -34.4 | -171.7 | -171.7 | 170.3 | -165.1 | 0 | 0 | 113.3 | S226 K240 | E224-S226 VanDerWaalsContact C-N 3.35Å; E224-S226 PolarHBondContact O-N 3.16Å; E224-K240 PolarHBondContact O-NZ 3.41Å |
| 225 | E | 65.7 | Low | 73.8 | Confident | 128 Ų | 128 | 62 Ų | 62 | 60% | 0.598 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -75.8 | -18.9 | 179.3 | -61.2 | -158 | 125.8 | 0 | 0 | 113.9 | I223 K243 | I223-E225 VanDerWaalsContact C-N 3.26Å; I223-E225 PolarHBondContact O-N 3.06Å; E225-K243 IonicContact OE1-NZ 3.83Å; E225-K243 PolarHBondContact OE1-NZ 3.48Å |
| 226 | S | 68 | Low | 75.3 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 7% | 0.07 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -90.5 | -4.9 | -176.5 | 74 | 0 | 0 | 0 | 0 | 114.1 | I223 E224 | I223-S226 WeakPolarHBondContact CB-OG 3.36Å; I223-S226 PolarHBondContact O-N 3.05Å; I223-S226 VanDerWaalsContact O-N 3.13Å; I223-S226 PolarHBondContact O-OG 3.17Å; I223-S226 VanDerWaalsContact O-OG 3.09Å; E224-S226 VanDerWaalsContact C-N 3.35Å; E224-S226 PolarHBondContact O-N 3.16Å |
| 227 | K | 77.6 | Confident | 77 | Confident | 26 Ų | 26 | 61 Ų | 61 | 11% | 0.113 | 33% | 0.33 | C | S | . | . | trans | -129.7 | 142.9 | -176.9 | 71.6 | -175.2 | -171.8 | 169.7 | 0 | 111.6 | H45 A221 K240 | H45-K227 HydrophobicContact CB-CB 4.18Å; H45-K227 HydrophobicContact CB-CD 4.33Å; A221-K227 WeakPolarHBondContact O-CE 3.39Å; A221-K227 PolarHBondContact O-NZ 3.06Å; K227-K240 WeakPolarHBondContact O-CD 3.47Å; K227-K240 WeakPolarHBondContact O-CE 3.46Å; K227-K240 PolarHBondContact O-NZ 2.84Å | ||
| 228 | I | 86.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -88.7 | 116.6 | 160.8 | -69.3 | 176.3 | 0 | 0 | 0 | 107.5 | H45 I46 L214 D232 V237 K240 L241 I315 L319 | H45-I228 VanDerWaalsContact CB-O 3.29Å; H45-I228 WeakPolarHBondContact CB-O 3.43Å; I46-I228 HydrophobicContact CB-CB 4.06Å; I46-I228 HydrophobicContact CB-CG2 4.25Å; I46-I228 HydrophobicContact CG2-CB 3.92Å; I46-I228 PolarHBondContact N-O 3.2Å; L214-I228 HydrophobicContact CD1-CB 4.24Å; L214-I228 HydrophobicContact CD1-CD1 3.2Å; L214-I228 HydrophobicContact CD1-CG1 3.49Å; L214-I228 VanDerWaalsContact CD1-CG1 3.49Å; I228-D232 VanDerWaalsContact CA-OD2 3.29Å; I228-D232 WeakPolarHBondContact CA-OD2 3.13Å; I228-D232 HydrophobicContact CG2-CB 4.38Å; I228-V237 HydrophobicContact CD1-CG1 4.18Å; I228-V237 HydrophobicContact CG2-CG2 3.85Å; I228-K240 HydrophobicContact CG1-CB 4.06Å; I228-K240 HydrophobicContact CG1-CD 4Å; I228-L241 HydrophobicContact CD1-CD2 4.28Å; I228-L241 HydrophobicContact CD1-CG 4.01Å; I228-I315 HydrophobicContact CD1-CD1 4.12Å; I228-I315 HydrophobicContact CG2-CG2 4.42Å; I228-L319 HydrophobicContact CG2-CD1 4.11Å | ||
| 229 | D | 90 | Very high | 80 | Confident | 19 Ų | 19 | 57.3 Ų | 57.3 | 10% | 0.102 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -70.9 | 149.3 | 172.8 | -162.9 | -77.9 | 0 | 0 | 0 | 109.2 | L231 D232 | D229-L231 PolarHBondContact O-N 2.89Å; D229-L231 VanDerWaalsContact O-N 3.14Å; D229-L231 PolarHBondContact OD1-N 2.88Å; D229-D232 PolarHBondContact N-OD2 2.95Å; D229-D232 PolarHBondContact O-N 2.95Å; D229-D232 VanDerWaalsContact O-N 3.16Å |
| 230 | L | 91 | Very high | 81.3 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -16.8 | 178.7 | -60.6 | 177.6 | 0 | 0 | 0 | 112.3 | P44 I46 F49 V96 L100 L319 I322 | P44-L230 HydrophobicContact CB-CD1 3.88Å; I46-L230 HydrophobicContact CD1-CD2 4.43Å; F49-L230 HydrophobicContact CE2-CD2 4.17Å; V96-L230 HydrophobicContact CG1-CD1 3.35Å; L100-L230 HydrophobicContact CD1-CD1 4.23Å; L100-L230 HydrophobicContact CD2-CD1 4.3Å; L100-L230 HydrophobicContact CD2-CD2 4.22Å; L230-L319 HydrophobicContact CB-CD2 4.2Å; L230-L319 HydrophobicContact CD2-CD2 3.65Å; L230-I322 HydrophobicContact CB-CD1 4.48Å; L230-I322 HydrophobicContact CB-CG2 4.35Å |
| 231 | L | 90.7 | Very high | 82.9 | Confident | 48 Ų | 48 | 55.6 Ų | 55.6 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 1.4 | 178.4 | -54.7 | -177.8 | 0 | 0 | 0 | 114 | D229 D233 I322 A326 I335 | D229-L231 PolarHBondContact O-N 2.89Å; D229-L231 VanDerWaalsContact O-N 3.14Å; D229-L231 PolarHBondContact OD1-N 2.88Å; L231-D233 PolarHBondContact O-N 3.1Å; L231-I322 HydrophobicContact CD2-CG2 3.95Å; L231-A326 HydrophobicContact CD2-CB 3.51Å; L231-I335 HydrophobicContact CD1-CD1 3.79Å; L231-I335 HydrophobicContact CD1-CG2 4.49Å |
| 232 | D | 91.6 | Very high | 84.5 | Confident | 22 Ų | 22 | 60.7 Ų | 60.7 | 12% | 0.118 | 31% | 0.314 | C | S | . | . | trans | -57.1 | 137 | 174.5 | -78.9 | -20.8 | 0 | 0 | 0 | 109.3 | I228 D229 T236 V237 K240 R323 | I228-D232 VanDerWaalsContact CA-OD2 3.29Å; I228-D232 WeakPolarHBondContact CA-OD2 3.13Å; I228-D232 HydrophobicContact CG2-CB 4.38Å; D229-D232 PolarHBondContact N-OD2 2.95Å; D229-D232 PolarHBondContact O-N 2.95Å; D229-D232 VanDerWaalsContact O-N 3.16Å; D232-T236 HydrophobicContact CB-CG2 3.88Å; D232-V237 HydrophobicContact CB-CG2 3.92Å; D232-K240 IonicContact OD1-NZ 2.73Å; D232-K240 PolarHBondContact OD1-NZ 3.13Å; D232-K240 WeakPolarHBondContact OD2-CD 3.41Å; D232-K240 WeakPolarHBondContact OD2-CE 3.32Å; D232-K240 IonicContact OD2-NZ 2.75Å; D232-K240 PolarHBondContact OD2-NZ 2.85Å; D232-R323 PolarHBondContact O-NE 2.71Å; D232-R323 PolarHBondContact O-NH2 3.08Å | ||
| 233 | D | 94 | Very high | 85.9 | Confident | 72 Ų | 72 | 61.5 Ų | 61.5 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | trans | -70.9 | 166.4 | 173.3 | 66.3 | 77.5 | 0 | 0 | 0 | 111.9 | L231 D235 T236 V237 | L231-D233 PolarHBondContact O-N 3.1Å; D233-D235 VanDerWaalsContact C-N 3.31Å; D233-D235 PolarHBondContact O-N 2.83Å; D233-D235 WeakPolarHBondContact OD1-CA 3.45Å; D233-D235 WeakPolarHBondContact OD1-CB 3.23Å; D233-D235 PolarHBondContact OD1-N 3.37Å; D233-T236 PolarHBondContact O-N 2.99Å; D233-T236 PolarHBondContact OD1-N 2.97Å; D233-T236 PolarHBondContact OD1-OG1 3.06Å; D233-T236 WeakPolarHBondContact OD2-CB 3.41Å; D233-T236 PolarHBondContact OD2-OG1 2.59Å; D233-V237 WeakPolarHBondContact O-CG2 3.45Å; D233-V237 PolarHBondContact O-N 3.09Å | ||
| 234 | P | 94.7 | Very high | 87 | Confident | 58 Ų | 58 | 57.1 Ų | 57.1 | 38% | 0.377 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -54.7 | -39.6 | 179.9 | -27.4 | 34.9 | 0 | 0 | 0 | 115.3 | V237 T238 N316 | P234-V237 PolarHBondContact O-N 3.02Å; P234-T238 PolarHBondContact O-N 3.04Å; P234-T238 PolarHBondContact O-OG1 3.44Å; P234-N316 WeakPolarHBondContact CA-OD1 3.43Å |
| 235 | D | 94.8 | Very high | 88 | Confident | 131 Ų | 131 | 54.3 Ų | 54.3 | 70% | 0.701 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -70.2 | -39.9 | -178.6 | -68 | -27.7 | 0 | 0 | 0 | 110.6 | D233 T238 K239 | D233-D235 VanDerWaalsContact C-N 3.31Å; D233-D235 PolarHBondContact O-N 2.83Å; D233-D235 WeakPolarHBondContact OD1-CA 3.45Å; D233-D235 WeakPolarHBondContact OD1-CB 3.23Å; D233-D235 PolarHBondContact OD1-N 3.37Å; D235-T238 PolarHBondContact O-N 2.79Å; D235-K239 VanDerWaalsContact O-CB 3.29Å; D235-K239 WeakPolarHBondContact O-CB 3.41Å; D235-K239 PolarHBondContact O-N 3.47Å |
| 236 | T | 92.6 | Very high | 89.2 | Confident | 40 Ų | 40 | 48.8 Ų | 48.8 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 174.3 | -65.3 | 0 | 0 | 0 | 0 | 111.4 | D232 D233 K239 K240 | D232-T236 HydrophobicContact CB-CG2 3.88Å; D233-T236 PolarHBondContact O-N 2.99Å; D233-T236 PolarHBondContact OD1-N 2.97Å; D233-T236 PolarHBondContact OD1-OG1 3.06Å; D233-T236 WeakPolarHBondContact OD2-CB 3.41Å; D233-T236 PolarHBondContact OD2-OG1 2.59Å; T236-K239 PolarHBondContact O-N 3.33Å; T236-K240 HydrophobicContact CG2-CD 4.12Å; T236-K240 WeakPolarHBondContact O-CB 3.33Å; T236-K240 WeakPolarHBondContact O-CG 3.49Å; T236-K240 PolarHBondContact O-N 2.77Å |
| 237 | V | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.5 | -51.2 | 173.4 | 165.8 | 0 | 0 | 0 | 0 | 110.8 | I228 D232 D233 P234 K239 K240 L241 I315 L319 | I228-V237 HydrophobicContact CD1-CG1 4.18Å; I228-V237 HydrophobicContact CG2-CG2 3.85Å; D232-V237 HydrophobicContact CB-CG2 3.92Å; D233-V237 WeakPolarHBondContact O-CG2 3.45Å; D233-V237 PolarHBondContact O-N 3.09Å; P234-V237 PolarHBondContact O-N 3.02Å; V237-K239 VanDerWaalsContact C-N 3.34Å; V237-K239 PolarHBondContact O-N 3.42Å; V237-K240 PolarHBondContact O-N 3.19Å; V237-L241 HydrophobicContact CG1-CD1 3.91Å; V237-L241 WeakPolarHBondContact O-CG 3.23Å; V237-L241 PolarHBondContact O-N 3.45Å; V237-I315 HydrophobicContact CG1-CB 4.34Å; V237-I315 HydrophobicContact CG1-CG2 3.83Å; V237-I315 HydrophobicContact CG2-CG2 4.29Å; V237-L319 HydrophobicContact CG2-CD1 4.23Å |
| 238 | T | 92.8 | Very high | 91.2 | Very high | 53 Ų | 53 | 55.1 Ų | 55.1 | 33% | 0.325 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 178.8 | -63.7 | 0 | 0 | 0 | 0 | 111.7 | P234 D235 L241 K242 | P234-T238 PolarHBondContact O-N 3.04Å; P234-T238 PolarHBondContact O-OG1 3.44Å; D235-T238 PolarHBondContact O-N 2.79Å; T238-L241 PolarHBondContact O-N 3.39Å; T238-K242 HydrophobicContact CG2-CD 4.25Å; T238-K242 WeakPolarHBondContact O-CB 3.49Å; T238-K242 WeakPolarHBondContact O-CG 3.38Å; T238-K242 PolarHBondContact O-N 3.36Å |
| 239 | K | 92 | Very high | 91.5 | Very high | 135 Ų | 135 | 56.1 Ų | 56.1 | 59% | 0.587 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.4 | -44.7 | 178.1 | -177.4 | -179.5 | 177.5 | -177.4 | 0 | 111.9 | D235 T236 V237 K242 K243 | D235-K239 VanDerWaalsContact O-CB 3.29Å; D235-K239 WeakPolarHBondContact O-CB 3.41Å; D235-K239 PolarHBondContact O-N 3.47Å; T236-K239 PolarHBondContact O-N 3.33Å; V237-K239 VanDerWaalsContact C-N 3.34Å; V237-K239 PolarHBondContact O-N 3.42Å; K239-K242 PolarHBondContact O-N 3.45Å; K239-K243 PolarHBondContact O-N 2.92Å |
| 240 | K | 90.5 | Very high | 91.7 | Very high | 29 Ų | 29 | 57.1 Ų | 57.1 | 13% | 0.126 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 177.9 | -72.4 | 178 | 176.4 | -179.1 | 0 | 111.6 | E224 K227 I228 D232 T236 V237 K242 K243 A244 | E224-K240 PolarHBondContact O-NZ 3.41Å; K227-K240 WeakPolarHBondContact O-CD 3.47Å; K227-K240 WeakPolarHBondContact O-CE 3.46Å; K227-K240 PolarHBondContact O-NZ 2.84Å; I228-K240 HydrophobicContact CG1-CB 4.06Å; I228-K240 HydrophobicContact CG1-CD 4Å; D232-K240 IonicContact OD1-NZ 2.73Å; D232-K240 PolarHBondContact OD1-NZ 3.13Å; D232-K240 WeakPolarHBondContact OD2-CD 3.41Å; D232-K240 WeakPolarHBondContact OD2-CE 3.32Å; D232-K240 IonicContact OD2-NZ 2.75Å; D232-K240 PolarHBondContact OD2-NZ 2.85Å; T236-K240 HydrophobicContact CG2-CD 4.12Å; T236-K240 WeakPolarHBondContact O-CB 3.33Å; T236-K240 WeakPolarHBondContact O-CG 3.49Å; T236-K240 PolarHBondContact O-N 2.77Å; V237-K240 PolarHBondContact O-N 3.19Å; K240-K242 PolarHBondContact O-N 2.95Å; K240-K243 PolarHBondContact O-N 3.22Å; K240-A244 PolarHBondContact O-N 2.7Å |
| 241 | L | 91 | Very high | 91.8 | Very high | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.8 | -35.3 | 175.6 | -75.7 | 169.7 | 0 | 0 | 0 | 113.3 | L214 I228 V237 T238 K243 A244 K308 V311 I315 | L214-L241 HydrophobicContact CD1-CD2 4.1Å; L214-L241 HydrophobicContact CD2-CD2 3.86Å; I228-L241 HydrophobicContact CD1-CD2 4.28Å; I228-L241 HydrophobicContact CD1-CG 4.01Å; V237-L241 HydrophobicContact CG1-CD1 3.91Å; V237-L241 WeakPolarHBondContact O-CG 3.23Å; V237-L241 PolarHBondContact O-N 3.45Å; T238-L241 PolarHBondContact O-N 3.39Å; L241-K243 VanDerWaalsContact C-N 3.26Å; L241-K243 PolarHBondContact O-N 3.18Å; L241-A244 WeakPolarHBondContact O-CB 3.29Å; L241-A244 PolarHBondContact O-N 3.23Å; L241-A244 VanDerWaalsContact O-N 3.12Å; L241-K308 VanDerWaalsContact O-CD 3.23Å; L241-K308 WeakPolarHBondContact O-CD 3.17Å; L241-K308 WeakPolarHBondContact O-CE 3.14Å; L241-V311 HydrophobicContact CD2-CG1 4.22Å; L241-I315 HydrophobicContact CD1-CD1 4.29Å; L241-I315 HydrophobicContact CD2-CD1 4.45Å |
| 242 | K | 90.4 | Very high | 91.6 | Very high | 152 Ų | 152 | 65.2 Ų | 65.2 | 66% | 0.661 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -58.7 | -41 | 173.9 | -79.9 | 176.7 | 178.1 | 178.8 | 0 | 111.4 | T238 K239 K240 A244 K308 | T238-K242 HydrophobicContact CG2-CD 4.25Å; T238-K242 WeakPolarHBondContact O-CB 3.49Å; T238-K242 WeakPolarHBondContact O-CG 3.38Å; T238-K242 PolarHBondContact O-N 3.36Å; K239-K242 PolarHBondContact O-N 3.45Å; K240-K242 PolarHBondContact O-N 2.95Å; K242-A244 VanDerWaalsContact C-N 3.32Å; K242-A244 PolarHBondContact O-N 3.12Å; K242-K308 PolarHBondContact O-NZ 2.98Å |
| 243 | K | 87.7 | Confident | 91.2 | Very high | 119 Ų | 119 | 74 Ų | 74 | 52% | 0.517 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -74.7 | -13.3 | 176.7 | -66.8 | -174.5 | 176.6 | -167.9 | 0 | 114.6 | E225 K239 K240 L241 | E225-K243 IonicContact OE1-NZ 3.83Å; E225-K243 PolarHBondContact OE1-NZ 3.48Å; K239-K243 PolarHBondContact O-N 2.92Å; K240-K243 PolarHBondContact O-N 3.22Å; L241-K243 VanDerWaalsContact C-N 3.26Å; L241-K243 PolarHBondContact O-N 3.18Å |
| 244 | A | 87.3 | Confident | 90.9 | Very high | 4 Ų | 4 | 70.7 Ų | 70.7 | 3% | 0.033 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -59 | 140.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L214 K240 L241 K242 C246 V256 K308 | L214-A244 HydrophobicContact CB-CB 4.22Å; L214-A244 WeakPolarHBondContact O-CA 3.45Å; L214-A244 WeakPolarHBondContact O-CB 3.17Å; K240-A244 PolarHBondContact O-N 2.7Å; L241-A244 WeakPolarHBondContact O-CB 3.29Å; L241-A244 PolarHBondContact O-N 3.23Å; L241-A244 VanDerWaalsContact O-N 3.12Å; K242-A244 VanDerWaalsContact C-N 3.32Å; K242-A244 PolarHBondContact O-N 3.12Å; A244-C246 PolarHBondContact O-N 3.37Å; A244-V256 HydrophobicContact CB-CG2 3.99Å; A244-K308 WeakPolarHBondContact O-CE 3.2Å; A244-K308 PolarHBondContact O-NZ 2.7Å |
| 245 | F | 86.3 | Confident | 90.6 | Very high | 92 Ų | 92 | 68 Ų | 68 | 40% | 0.404 | 33% | 0.328 | S | S | . | . | trans | -71.4 | 120.3 | 173.6 | -179 | -95.6 | 0 | 0 | 0 | 109.3 | L214 E247 | L214-F245 PolarHBondContact O-N 3.39Å; F245-E247 HydrophobicContact CZ-CB 4.08Å | ||
| 246 | C | 90.7 | Very high | 90.4 | Very high | 12 Ų | 12 | 61.7 Ų | 61.7 | 8% | 0.081 | 29% | 0.294 | C | S | . | . | trans | -161.9 | 87.3 | -179.1 | -168.1 | 0 | 0 | 0 | 0 | 107.6 | A244 N254 V256 F297 P304 | A244-C246 PolarHBondContact O-N 3.37Å; C246-N254 PolarHBondContact SG-ND2 2.96Å; C246-N254 VanDerWaalsContact SG-ND2 3.37Å; C246-V256 HydrophobicContact CB-CG2 4.1Å; C246-F297 VanDerWaalsContact SG-CZ 3.52Å; C246-P304 HydrophobicContact CB-CB 4.24Å; C246-P304 WeakPolarHBondContact O-CB 3.39Å; C246-P304 WeakPolarHBondContact O-CG 3.44Å | ||
| 247 | E | 92.2 | Very high | 90.5 | Very high | 103 Ų | 103 | 59.9 Ų | 59.9 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | trans | -83.6 | 142.7 | 179.7 | -179.5 | -179.9 | -159.7 | 0 | 0 | 110.1 | F245 G249 N250 F297 | F245-E247 HydrophobicContact CZ-CB 4.08Å; E247-G249 PolarHBondContact O-N 2.7Å; E247-N250 HydrophobicContact CB-CB 3.82Å; E247-N250 HydrophobicContact CG-CB 4.27Å; E247-N250 PolarHBondContact O-N 3.14Å; E247-N250 PolarHBondContact OE2-ND2 3.41Å; E247-N250 VanDerWaalsContact OE2-ND2 3.07Å; E247-F297 WeakPolarHBondContact O-CE1 3.48Å; E247-F297 VanDerWaalsContact O-CZ 3.25Å; E247-F297 WeakPolarHBondContact O-CZ 3.49Å | ||
| 248 | P | 95 | Very high | 90.3 | Very high | 65 Ų | 65 | 61 Ų | 61 | 42% | 0.422 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 136.3 | 176.1 | -22.8 | 32.5 | 0 | 0 | 0 | 111.8 | N250 E300 P304 | P248-N250 PolarHBondContact O-N 2.97Å; P248-E300 HydrophobicContact CB-CG 4.38Å; P248-P304 HydrophobicContact CB-CG 4.23Å; P248-P304 HydrophobicContact CG-CG 3.81Å |
| 249 | G | 94.3 | Very high | 90.2 | Very high | 21 Ų | 21 | 58.6 Ų | 58.6 | 22% | 0.216 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | -17.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | E247 I251 F297 | E247-G249 PolarHBondContact O-N 2.7Å; G249-I251 PolarHBondContact O-N 3.25Å; G249-F297 WeakPolarHBondContact CA-O 3.26Å; G249-F297 PolarHBondContact N-O 2.79Å |
| 250 | N | 93 | Very high | 90.3 | Very high | 40 Ų | 40 | 52.1 Ų | 52.1 | 21% | 0.214 | 25% | 0.247 | C | C | . | . | trans | -81 | 104.8 | -173.1 | -169.1 | -6.4 | 0 | 0 | 0 | 112.4 | E247 P248 E252 N254 F297 | E247-N250 HydrophobicContact CB-CB 3.82Å; E247-N250 HydrophobicContact CG-CB 4.27Å; E247-N250 PolarHBondContact O-N 3.14Å; E247-N250 PolarHBondContact OE2-ND2 3.41Å; E247-N250 VanDerWaalsContact OE2-ND2 3.07Å; P248-N250 PolarHBondContact O-N 2.97Å; N250-E252 PolarHBondContact OD1-N 3.37Å; N250-E252 PolarHBondContact OD1-O 3.2Å; N250-N254 WeakPolarHBondContact O-CB 3.45Å; N250-N254 PolarHBondContact O-ND2 2.93Å; N250-F297 WeakPolarHBondContact O-CE1 3.38Å | ||
| 251 | I | 92.4 | Very high | 90.4 | Very high | 74 Ų | 74 | 55.2 Ų | 55.2 | 38% | 0.379 | 26% | 0.258 | S | S | . | . | trans | -89 | -12.1 | 175.5 | 63.8 | 172.2 | 0 | 0 | 0 | 113.2 | G249 L257 E294 F297 A298 | G249-I251 PolarHBondContact O-N 3.25Å; I251-L257 HydrophobicContact CB-CD1 4.41Å; I251-L257 HydrophobicContact CG2-CD1 4.11Å; I251-E294 HydrophobicContact CB-CG 4.29Å; I251-E294 HydrophobicContact CG2-CG 3.88Å; I251-F297 HydrophobicContact CG2-CD1 4.43Å; I251-A298 HydrophobicContact CG2-CB 3.87Å | ||
| 252 | E | 87.4 | Confident | 90.3 | Very high | 145 Ų | 145 | 56.8 Ų | 56.8 | 68% | 0.678 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -91.1 | 140.9 | 178.6 | -64.2 | -167.6 | 176.3 | 0 | 0 | 111.2 | N250 N254 | N250-E252 PolarHBondContact OD1-N 3.37Å; N250-E252 PolarHBondContact OD1-O 3.2Å; E252-N254 PolarHBondContact O-N 3.45Å |
| 253 | R | 82.9 | Confident | 90.3 | Very high | 207 Ų | 207 | 49.6 Ų | 49.6 | 78% | 0.781 | 23% | 0.232 | S | C | * | . | S | Bend | trans | 52.2 | 25.4 | 179.9 | -57.1 | -176.3 | 176.6 | -171.2 | -0.7 | 114.2 | G255 | R253-G255 PolarHBondContact O-N 3.25Š|
| 254 | N | 88.6 | Confident | 90.5 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | trans | -90.8 | 97.8 | 179.4 | -170.9 | -35.3 | 0 | 0 | 0 | 110.2 | C246 N250 E252 V256 L257 T258 F297 | C246-N254 PolarHBondContact SG-ND2 2.96Å; C246-N254 VanDerWaalsContact SG-ND2 3.37Å; N250-N254 WeakPolarHBondContact O-CB 3.45Å; N250-N254 PolarHBondContact O-ND2 2.93Å; E252-N254 PolarHBondContact O-N 3.45Å; N254-V256 PolarHBondContact O-N 3.12Å; N254-V256 WeakPolarHBondContact OD1-CB 3.44Å; N254-V256 PolarHBondContact OD1-N 3.35Å; N254-V256 VanDerWaalsContact OD1-N 3.14Å; N254-L257 HydrophobicContact CB-CB 4.14Å; N254-L257 HydrophobicContact CB-CD1 4.17Å; N254-L257 HydrophobicContact CB-CG 4.4Å; N254-L257 PolarHBondContact O-N 2.84Å; N254-L257 PolarHBondContact OD1-N 2.91Å; N254-T258 WeakPolarHBondContact O-CB 2.99Å; N254-T258 PolarHBondContact O-N 2.59Å; N254-T258 PolarHBondContact O-OG1 3.12Å; N254-F297 WeakPolarHBondContact ND2-CE1 3.14Å | ||
| 255 | G | 87.1 | Confident | 90.7 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.9 | -28 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | G213 R253 F259 | G213-G255 WeakPolarHBondContact O-CA 3.32Å; R253-G255 PolarHBondContact O-N 3.25Å; G255-F259 WeakPolarHBondContact O-CB 3.25Å; G255-F259 PolarHBondContact O-N 3.13Å |
| 256 | V | 91.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.5 | -51.5 | 179.1 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | A244 C246 N254 T258 F259 C260 L307 K308 V311 | A244-V256 HydrophobicContact CB-CG2 3.99Å; C246-V256 HydrophobicContact CB-CG2 4.1Å; N254-V256 PolarHBondContact O-N 3.12Å; N254-V256 WeakPolarHBondContact OD1-CB 3.44Å; N254-V256 PolarHBondContact OD1-N 3.35Å; N254-V256 VanDerWaalsContact OD1-N 3.14Å; V256-T258 VanDerWaalsContact C-N 3.28Å; V256-T258 PolarHBondContact O-N 2.83Å; V256-F259 WeakPolarHBondContact O-CB 3.21Å; V256-F259 PolarHBondContact O-N 3.4Å; V256-C260 PolarHBondContact O-N 3.14Å; V256-C260 PolarHBondContact O-SG 2.94Å; V256-C260 VanDerWaalsContact O-SG 3.38Å; V256-L307 HydrophobicContact CB-CD2 4.49Å; V256-L307 HydrophobicContact CG1-CD2 3.91Å; V256-L307 HydrophobicContact CG1-CG 3.76Å; V256-K308 HydrophobicContact CG2-CG 4.24Å; V256-V311 HydrophobicContact CG1-CB 4.21Å; V256-V311 HydrophobicContact CG1-CG1 4.39Å; V256-V311 HydrophobicContact CG1-CG2 3.73Å |
| 257 | L | 93.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 174 | -76.9 | 177.8 | 0 | 0 | 0 | 111.8 | I251 N254 F259 C260 R261 Y290 L293 F297 L307 | I251-L257 HydrophobicContact CB-CD1 4.41Å; I251-L257 HydrophobicContact CG2-CD1 4.11Å; N254-L257 HydrophobicContact CB-CB 4.14Å; N254-L257 HydrophobicContact CB-CD1 4.17Å; N254-L257 HydrophobicContact CB-CG 4.4Å; N254-L257 PolarHBondContact O-N 2.84Å; N254-L257 PolarHBondContact OD1-N 2.91Å; L257-F259 VanDerWaalsContact C-N 3.3Å; L257-F259 PolarHBondContact O-N 3.13Å; L257-C260 WeakPolarHBondContact O-CA 3.41Å; L257-C260 VanDerWaalsContact O-CB 3.28Å; L257-C260 WeakPolarHBondContact O-CB 3.37Å; L257-C260 PolarHBondContact O-N 3.39Å; L257-R261 PolarHBondContact O-N 2.77Å; L257-Y290 WeakPolarHBondContact O-CE2 3.22Å; L257-L293 HydrophobicContact CD2-CD2 4.17Å; L257-L293 HydrophobicContact CD2-CG 4.15Å; L257-F297 HydrophobicContact CD1-CB 4.25Å; L257-F297 HydrophobicContact CD1-CD1 3.59Å; L257-F297 HydrophobicContact CD1-CE1 4.09Å; L257-F297 HydrophobicContact CD1-CG 3.93Å; L257-F297 HydrophobicContact CD2-CB 4.24Å; L257-F297 HydrophobicContact CD2-CG 4.26Å; L257-F297 HydrophobicContact CG-CD1 4.43Å; L257-F297 HydrophobicContact CG-CG 4.42Å; L257-L307 HydrophobicContact CD2-CD2 3.66Å; L257-L307 HydrophobicContact CG-CD2 3.96Å |
| 258 | T | 90.5 | Very high | 90.5 | Very high | 23 Ų | 23 | 37.6 Ų | 37.6 | 14% | 0.141 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.3 | -39.3 | 179.1 | -49.2 | 0 | 0 | 0 | 0 | 111.2 | V211 P212 N254 V256 C260 R261 Y262 | V211-T258 HydrophobicContact CB-CG2 4.46Å; V211-T258 HydrophobicContact CG1-CG2 3.87Å; V211-T258 HydrophobicContact CG2-CG2 4.31Å; P212-T258 HydrophobicContact CG-CG2 4.18Å; N254-T258 WeakPolarHBondContact O-CB 2.99Å; N254-T258 PolarHBondContact O-N 2.59Å; N254-T258 PolarHBondContact O-OG1 3.12Å; V256-T258 VanDerWaalsContact C-N 3.28Å; V256-T258 PolarHBondContact O-N 2.83Å; T258-C260 VanDerWaalsContact C-N 3.33Å; T258-C260 PolarHBondContact O-N 2.7Å; T258-R261 PolarHBondContact O-N 2.96Å; T258-Y262 HydrophobicContact CG2-CD2 3.4Å; T258-Y262 VanDerWaalsContact CG2-CD2 3.4Å; T258-Y262 HydrophobicContact CG2-CE2 3.52Å; T258-Y262 VanDerWaalsContact O-CD2 3.3Å; T258-Y262 WeakPolarHBondContact O-CD2 3.5Å; T258-Y262 PolarHBondContact O-N 3.21Å |
| 259 | F | 90.3 | Very high | 89.8 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 1% | 0.013 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -39.1 | 172.2 | -167 | -95.5 | 0 | 0 | 0 | 111.9 | I46 G255 V256 L257 R261 V263 I264 V311 I315 | I46-F259 HydrophobicContact CB-CE2 4.44Å; I46-F259 HydrophobicContact CD1-CZ 4.18Å; I46-F259 HydrophobicContact CG1-CE2 3.55Å; I46-F259 HydrophobicContact CG1-CZ 3.49Å; I46-F259 VanDerWaalsContact CG1-CZ 3.49Å; I46-F259 HydrophobicContact CG2-CE2 4.27Å; G255-F259 WeakPolarHBondContact O-CB 3.25Å; G255-F259 PolarHBondContact O-N 3.13Å; V256-F259 WeakPolarHBondContact O-CB 3.21Å; V256-F259 PolarHBondContact O-N 3.4Å; L257-F259 VanDerWaalsContact C-N 3.3Å; L257-F259 PolarHBondContact O-N 3.13Å; F259-R261 PolarHBondContact O-N 2.86Å; F259-V263 HydrophobicContact CD1-CB 4.29Å; F259-V263 HydrophobicContact CD2-CB 4.21Å; F259-V263 HydrophobicContact CD2-CG2 3.91Å; F259-V263 HydrophobicContact CE1-CB 4.03Å; F259-V263 HydrophobicContact CE1-CG1 3.87Å; F259-V263 HydrophobicContact CE2-CB 3.94Å; F259-V263 HydrophobicContact CE2-CG1 4.04Å; F259-V263 HydrophobicContact CE2-CG2 3.68Å; F259-V263 HydrophobicContact CG-CB 4.38Å; F259-V263 HydrophobicContact CG-CG2 4.5Å; F259-V263 HydrophobicContact CZ-CB 3.86Å; F259-V263 HydrophobicContact CZ-CG1 3.55Å; F259-V263 HydrophobicContact CZ-CG2 4.09Å; F259-V263 WeakPolarHBondContact O-CA 3.46Å; F259-V263 VanDerWaalsContact O-CB 3.3Å; F259-V263 WeakPolarHBondContact O-CB 3.22Å; F259-V263 PolarHBondContact O-N 3.24Å; F259-I264 HydrophobicContact CD1-CD1 4.02Å; F259-I264 HydrophobicContact CD1-CG1 3.84Å; F259-I264 HydrophobicContact CE1-CD1 4.29Å; F259-I264 HydrophobicContact CE1-CG1 3.93Å; F259-I264 PolarHBondContact O-N 3.2Å; F259-V311 HydrophobicContact CD1-CG1 4.11Å; F259-I315 HydrophobicContact CD1-CD1 4.27Å; F259-I315 HydrophobicContact CD1-CG1 4.47Å; F259-I315 HydrophobicContact CE1-CD1 3.83Å; F259-I315 HydrophobicContact CE1-CG1 3.64Å; F259-I315 HydrophobicContact CZ-CD1 4.17Å; F259-I315 HydrophobicContact CZ-CG1 4.02Å |
| 260 | C | 93.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -56.6 | -51.9 | 172 | -63.6 | 0 | 0 | 0 | 0 | 111.3 | V256 L257 T258 I264 F265 Y290 L293 V311 | V256-C260 PolarHBondContact O-N 3.14Å; V256-C260 PolarHBondContact O-SG 2.94Å; V256-C260 VanDerWaalsContact O-SG 3.38Å; L257-C260 WeakPolarHBondContact O-CA 3.41Å; L257-C260 VanDerWaalsContact O-CB 3.28Å; L257-C260 WeakPolarHBondContact O-CB 3.37Å; L257-C260 PolarHBondContact O-N 3.39Å; T258-C260 VanDerWaalsContact C-N 3.33Å; T258-C260 PolarHBondContact O-N 2.7Å; C260-I264 PolarHBondContact O-N 3.11Å; C260-F265 HydrophobicContact CB-CD2 4.19Å; C260-F265 HydrophobicContact CB-CE2 4.22Å; C260-F265 WeakPolarHBondContact O-CD2 3.39Å; C260-F265 PolarHBondContact O-N 2.84Å; C260-Y290 HydrophobicContact CB-CD2 4.27Å; C260-Y290 HydrophobicContact CB-CE2 4.23Å; C260-L293 HydrophobicContact CB-CD2 3.92Å; C260-V311 WeakPolarHBondContact SG-CG2 3.21Å |
| 261 | R | 92.4 | Very high | 89 | Confident | 94 Ų | 94 | 45.9 Ų | 45.9 | 36% | 0.355 | 23% | 0.228 | S | C | . | . | I | π-helix | trans | -59.9 | -49.2 | -176.7 | -172.2 | 175.6 | 176.6 | 164.6 | -1.7 | 113.7 | L257 T258 F259 P266 Y290 | L257-R261 PolarHBondContact O-N 2.77Å; T258-R261 PolarHBondContact O-N 2.96Å; F259-R261 PolarHBondContact O-N 2.86Å; R261-P266 WeakPolarHBondContact O-CD 3.36Å; R261-P266 WeakPolarHBondContact O-CG 3.47Å; R261-Y290 HydrophobicContact CB-CD1 4.15Å; R261-Y290 HydrophobicContact CB-CD2 3.77Å; R261-Y290 HydrophobicContact CB-CE1 3.95Å; R261-Y290 HydrophobicContact CB-CE2 3.55Å; R261-Y290 HydrophobicContact CB-CG 4.07Å; R261-Y290 HydrophobicContact CG-CD1 3.82Å; R261-Y290 HydrophobicContact CG-CD2 4.32Å; R261-Y290 HydrophobicContact CG-CE1 3.8Å; R261-Y290 HydrophobicContact CG-CE2 4.29Å; R261-Y290 HydrophobicContact CG-CG 4.09Å |
| 262 | Y | 90.1 | Very high | 89.1 | Confident | 36 Ų | 36 | 44.3 Ų | 44.3 | 14% | 0.141 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -95.6 | -13.7 | -169.2 | -67.8 | -74.6 | 0 | 0 | 0 | 114.1 | N13 P209 V211 T258 | N13-Y262 HydrophobicContact CB-CD1 3.9Å; N13-Y262 HydrophobicContact CB-CE1 3.85Å; N13-Y262 WeakPolarHBondContact O-CE1 3.35Å; P209-Y262 HydrophobicContact CG-CD1 4.22Å; P209-Y262 HydrophobicContact CG-CE1 3.43Å; P209-Y262 VanDerWaalsContact CG-CE1 3.43Å; P209-Y262 HydrophobicContact CG-CE2 4.18Å; P209-Y262 VanDerWaalsContact CG-CZ 3.42Å; P209-Y262 WeakPolarHBondContact CG-OH 3.37Å; V211-Y262 HydrophobicContact CG2-CD2 3.81Å; V211-Y262 HydrophobicContact CG2-CE2 4.39Å; V211-Y262 HydrophobicContact CG2-CG 4.03Å; T258-Y262 HydrophobicContact CG2-CD2 3.4Å; T258-Y262 VanDerWaalsContact CG2-CD2 3.4Å; T258-Y262 HydrophobicContact CG2-CE2 3.52Å; T258-Y262 VanDerWaalsContact O-CD2 3.3Å; T258-Y262 WeakPolarHBondContact O-CD2 3.5Å; T258-Y262 PolarHBondContact O-N 3.21Å |
| 263 | V | 89.1 | Confident | 89.6 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -124 | -61.7 | -179.1 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | F49 V50 F259 P266 L267 L318 | F49-V263 HydrophobicContact CB-CB 4.26Å; F49-V263 HydrophobicContact CB-CG1 3.49Å; F49-V263 VanDerWaalsContact CB-CG1 3.49Å; F49-V263 HydrophobicContact CB-CG2 3.73Å; F49-V263 HydrophobicContact CD1-CG1 4.42Å; F49-V263 HydrophobicContact CG-CG1 4.04Å; V50-V263 HydrophobicContact CG2-CG2 3.74Å; F259-V263 HydrophobicContact CD1-CB 4.29Å; F259-V263 HydrophobicContact CD2-CB 4.21Å; F259-V263 HydrophobicContact CD2-CG2 3.91Å; F259-V263 HydrophobicContact CE1-CB 4.03Å; F259-V263 HydrophobicContact CE1-CG1 3.87Å; F259-V263 HydrophobicContact CE2-CB 3.94Å; F259-V263 HydrophobicContact CE2-CG1 4.04Å; F259-V263 HydrophobicContact CE2-CG2 3.68Å; F259-V263 HydrophobicContact CG-CB 4.38Å; F259-V263 HydrophobicContact CG-CG2 4.5Å; F259-V263 HydrophobicContact CZ-CB 3.86Å; F259-V263 HydrophobicContact CZ-CG1 3.55Å; F259-V263 HydrophobicContact CZ-CG2 4.09Å; F259-V263 WeakPolarHBondContact O-CA 3.46Å; F259-V263 VanDerWaalsContact O-CB 3.3Å; F259-V263 WeakPolarHBondContact O-CB 3.22Å; F259-V263 PolarHBondContact O-N 3.24Å; V263-P266 WeakPolarHBondContact O-CD 3.4Å; V263-L267 HydrophobicContact CG1-CD1 3.67Å; V263-L267 WeakPolarHBondContact O-CB 3.33Å; V263-L267 WeakPolarHBondContact O-CG 3.2Å; V263-L267 PolarHBondContact O-N 3.49Å; V263-L267 VanDerWaalsContact O-N 3.09Å; V263-L318 HydrophobicContact CG1-CD1 4.39Å |
| 264 | I | 91.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -63.8 | -57.3 | -170.1 | -55.4 | -170.3 | 0 | 0 | 0 | 111.4 | F259 C260 L267 L268 F273 V311 F314 | F259-I264 HydrophobicContact CD1-CD1 4.02Å; F259-I264 HydrophobicContact CD1-CG1 3.84Å; F259-I264 HydrophobicContact CE1-CD1 4.29Å; F259-I264 HydrophobicContact CE1-CG1 3.93Å; F259-I264 PolarHBondContact O-N 3.2Å; C260-I264 PolarHBondContact O-N 3.11Å; I264-L267 CarbonylContact O-C 3.52Å; I264-L267 PolarHBondContact O-N 3.36Å; I264-L268 HydrophobicContact CG2-CD1 3.96Å; I264-L268 HydrophobicContact CG2-CG 4.07Å; I264-L268 VanDerWaalsContact O-CG 3.32Å; I264-L268 WeakPolarHBondContact O-CG 3.25Å; I264-L268 PolarHBondContact O-N 3.38Å; I264-F273 HydrophobicContact CD1-CE2 3.93Å; I264-F273 HydrophobicContact CD1-CZ 4.24Å; I264-F273 HydrophobicContact CG2-CD2 3.53Å; I264-F273 HydrophobicContact CG2-CE2 3.78Å; I264-F273 HydrophobicContact CG2-CG 4.32Å; I264-V311 HydrophobicContact CD1-CB 4.34Å; I264-V311 HydrophobicContact CD1-CG1 4.24Å; I264-V311 HydrophobicContact CD1-CG2 3.85Å; I264-F314 HydrophobicContact CB-CD1 4.23Å; I264-F314 HydrophobicContact CB-CE1 3.97Å; I264-F314 HydrophobicContact CB-CZ 4.36Å; I264-F314 HydrophobicContact CD1-CB 4.27Å; I264-F314 HydrophobicContact CD1-CD1 3.82Å; I264-F314 HydrophobicContact CD1-CE1 4.42Å; I264-F314 HydrophobicContact CD1-CG 4.16Å; I264-F314 HydrophobicContact CG1-CD1 3.6Å; I264-F314 HydrophobicContact CG1-CE1 3.71Å; I264-F314 HydrophobicContact CG1-CG 4.32Å; I264-F314 HydrophobicContact CG2-CD1 4Å; I264-F314 HydrophobicContact CG2-CD2 4.1Å; I264-F314 HydrophobicContact CG2-CE1 3.85Å; I264-F314 HydrophobicContact CG2-CE2 3.99Å; I264-F314 HydrophobicContact CG2-CG 4.1Å; I264-F314 HydrophobicContact CG2-CZ 3.86Å |
| 265 | F | 92.6 | Very high | 90.5 | Very high | 31 Ų | 31 | 30.2 Ų | 30.2 | 14% | 0.136 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59 | -43.4 | -178.1 | -82.4 | -88.8 | 0 | 0 | 0 | 113.3 | C260 L267 L268 F273 F287 Y290 L293 | C260-F265 HydrophobicContact CB-CD2 4.19Å; C260-F265 HydrophobicContact CB-CE2 4.22Å; C260-F265 WeakPolarHBondContact O-CD2 3.39Å; C260-F265 PolarHBondContact O-N 2.84Å; F265-L267 VanDerWaalsContact C-N 3.31Å; F265-L267 PolarHBondContact O-N 3.5Å; F265-L268 HydrophobicContact CD1-CD1 4.37Å; F265-L268 PolarHBondContact O-N 2.91Å; F265-F273 HydrophobicContact CE1-CB 4.24Å; F265-F273 HydrophobicContact CE2-CB 4.26Å; F265-F273 HydrophobicContact CE2-CD1 4.45Å; F265-F273 HydrophobicContact CE2-CG 4.5Å; F265-F273 HydrophobicContact CZ-CB 3.84Å; F265-F273 HydrophobicContact CZ-CG 4.49Å; F265-F287 HydrophobicContact CE1-CB 4.33Å; F265-F287 HydrophobicContact CZ-CB 3.97Å; F265-Y290 AromaticContact CD2-CD2 3.83Å; F265-Y290 HydrophobicContact CD2-CD2 3.83Å; F265-Y290 HydrophobicContact CD2-CG 4.26Å; F265-Y290 AromaticContact CE2-CD2 3.85Å; F265-Y290 HydrophobicContact CE2-CD2 3.85Å; F265-Y290 HydrophobicContact CE2-CG 4.41Å; F265-L293 HydrophobicContact CE2-CB 4.26Å; F265-L293 HydrophobicContact CE2-CD2 3.68Å; F265-L293 HydrophobicContact CZ-CB 4.07Å; F265-L293 HydrophobicContact CZ-CD2 4.21Å |
| 266 | P | 88.2 | Confident | 90.8 | Very high | 11 Ų | 11 | 33.6 Ų | 33.6 | 7% | 0.071 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.7 | -35.5 | 172.5 | -29.6 | 37.4 | 0 | 0 | 0 | 114.8 | R261 V263 | R261-P266 WeakPolarHBondContact O-CD 3.36Å; R261-P266 WeakPolarHBondContact O-CG 3.47Å; V263-P266 WeakPolarHBondContact O-CD 3.4Å |
| 267 | L | 88.3 | Confident | 90.8 | Very high | 14 Ų | 14 | 35 Ų | 35 | 7% | 0.073 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -88.3 | -16 | -176.8 | -65.7 | 179.7 | 0 | 0 | 0 | 114.3 | F49 A104 V263 I264 F265 N269 F314 L318 | F49-L267 HydrophobicContact CD1-CD1 3.77Å; F49-L267 HydrophobicContact CE1-CD1 4.22Å; A104-L267 HydrophobicContact CB-CD2 3.59Å; V263-L267 HydrophobicContact CG1-CD1 3.67Å; V263-L267 WeakPolarHBondContact O-CB 3.33Å; V263-L267 WeakPolarHBondContact O-CG 3.2Å; V263-L267 PolarHBondContact O-N 3.49Å; V263-L267 VanDerWaalsContact O-N 3.09Å; I264-L267 CarbonylContact O-C 3.52Å; I264-L267 PolarHBondContact O-N 3.36Å; F265-L267 VanDerWaalsContact C-N 3.31Å; F265-L267 PolarHBondContact O-N 3.5Å; L267-N269 PolarHBondContact O-N 3.14Å; L267-N269 VanDerWaalsContact O-N 3.11Å; L267-N269 PolarHBondContact O-ND2 3.31Å; L267-F314 HydrophobicContact CB-CZ 4.29Å; L267-L318 HydrophobicContact CD1-CD1 4.17Å; L267-L318 HydrophobicContact CD1-CD2 4.27Å |
| 268 | L | 88.3 | Confident | 90.6 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 12% | 0.115 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -62.6 | -17.4 | 177 | -80.6 | 170.8 | 0 | 0 | 0 | 113.5 | I264 F265 G270 K271 F273 F314 | I264-L268 HydrophobicContact CG2-CD1 3.96Å; I264-L268 HydrophobicContact CG2-CG 4.07Å; I264-L268 VanDerWaalsContact O-CG 3.32Å; I264-L268 WeakPolarHBondContact O-CG 3.25Å; I264-L268 PolarHBondContact O-N 3.38Å; F265-L268 HydrophobicContact CD1-CD1 4.37Å; F265-L268 PolarHBondContact O-N 2.91Å; L268-G270 VanDerWaalsContact C-N 3.26Å; L268-G270 PolarHBondContact O-N 3.48Å; L268-K271 HydrophobicContact CB-CB 4.41Å; L268-K271 WeakPolarHBondContact CB-O 3.45Å; L268-K271 HydrophobicContact CD2-CB 4.25Å; L268-K271 VanDerWaalsContact O-CB 3.31Å; L268-K271 WeakPolarHBondContact O-CB 3.48Å; L268-K271 WeakPolarHBondContact O-CG 3.47Å; L268-K271 PolarHBondContact O-N 2.92Å; L268-F273 HydrophobicContact CD1-CB 3.65Å; L268-F273 HydrophobicContact CD1-CD2 4.42Å; L268-F273 HydrophobicContact CD1-CG 4.47Å; L268-F314 HydrophobicContact CD2-CE2 3.86Å; L268-F314 HydrophobicContact CG-CE2 4.38Å |
| 269 | N | 80.6 | Confident | 90.6 | Very high | 70 Ų | 70 | 46.2 Ų | 46.2 | 37% | 0.374 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 42.7 | 175.3 | -71.7 | -42.5 | 0 | 0 | 0 | 112.8 | K60 A104 L267 | K60-N269 PolarHBondContact NZ-OD1 3.06Å; A104-N269 PolarHBondContact O-ND2 2.67Å; A104-N269 VanDerWaalsContact O-ND2 3.14Å; L267-N269 PolarHBondContact O-N 3.14Å; L267-N269 VanDerWaalsContact O-N 3.11Å; L267-N269 PolarHBondContact O-ND2 3.31Å |
| 270 | G | 80.4 | Confident | 90.5 | Very high | 86 Ų | 86 | 53.6 Ų | 53.6 | 89% | 0.887 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | -1.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L268 | L268-G270 VanDerWaalsContact C-N 3.26Å; L268-G270 PolarHBondContact O-N 3.48Å |
| 271 | K | 90.4 | Very high | 90.2 | Very high | 144 Ų | 144 | 59.2 Ų | 59.2 | 63% | 0.626 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 152.4 | 169.1 | -62.1 | -178.1 | 178.8 | -172.4 | 0 | 110.7 | L268 | L268-K271 HydrophobicContact CB-CB 4.41Å; L268-K271 WeakPolarHBondContact CB-O 3.45Å; L268-K271 HydrophobicContact CD2-CB 4.25Å; L268-K271 VanDerWaalsContact O-CB 3.31Å; L268-K271 WeakPolarHBondContact O-CB 3.48Å; L268-K271 WeakPolarHBondContact O-CG 3.47Å; L268-K271 PolarHBondContact O-N 2.92Å |
| 272 | A | 94.2 | Very high | 89.9 | Confident | 41 Ų | 41 | 57.4 Ų | 57.4 | 34% | 0.339 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 141 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T274 F287 | A272-T274 PolarHBondContact O-N 3.3Å; A272-F287 CarbonylContact C-O 3.56Å; A272-F287 VanDerWaalsContact CA-O 3.29Å; A272-F287 WeakPolarHBondContact CA-O 3.29Å |
| 273 | F | 96.5 | Very high | 90 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 2% | 0.022 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 122 | 168.6 | -174 | -123.3 | 0 | 0 | 0 | 109.3 | I264 F265 L268 I275 T286 F287 L293 L307 A310 V311 | I264-F273 HydrophobicContact CD1-CE2 3.93Å; I264-F273 HydrophobicContact CD1-CZ 4.24Å; I264-F273 HydrophobicContact CG2-CD2 3.53Å; I264-F273 HydrophobicContact CG2-CE2 3.78Å; I264-F273 HydrophobicContact CG2-CG 4.32Å; F265-F273 HydrophobicContact CE1-CB 4.24Å; F265-F273 HydrophobicContact CE2-CB 4.26Å; F265-F273 HydrophobicContact CE2-CD1 4.45Å; F265-F273 HydrophobicContact CE2-CG 4.5Å; F265-F273 HydrophobicContact CZ-CB 3.84Å; F265-F273 HydrophobicContact CZ-CG 4.49Å; L268-F273 HydrophobicContact CD1-CB 3.65Å; L268-F273 HydrophobicContact CD1-CD2 4.42Å; L268-F273 HydrophobicContact CD1-CG 4.47Å; F273-I275 HydrophobicContact CD1-CD1 4.49Å; F273-I275 HydrophobicContact CD1-CG1 4.17Å; F273-I275 HydrophobicContact CE1-CD1 4.02Å; F273-I275 HydrophobicContact CE1-CG1 3.8Å; F273-T286 CarbonylContact O-C 3.47Å; F273-T286 VanDerWaalsContact O-CA 3.29Å; F273-T286 WeakPolarHBondContact O-CA 3.48Å; F273-F287 PolarHBondContact N-O 2.73Å; F273-F287 PolarHBondContact O-N 3.13Å; F273-L293 HydrophobicContact CD1-CD2 4.03Å; F273-L293 HydrophobicContact CE1-CD2 4.12Å; F273-L307 HydrophobicContact CE1-CD1 4.09Å; F273-A310 HydrophobicContact CE1-CB 4.31Å; F273-A310 HydrophobicContact CE2-CB 4.4Å; F273-A310 HydrophobicContact CZ-CB 3.73Å; F273-V311 HydrophobicContact CZ-CG2 4.09Å |
| 274 | T | 96.1 | Very high | 90.2 | Very high | 53 Ų | 53 | 64.2 Ų | 64.2 | 33% | 0.325 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 126.8 | -174.7 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | A272 R284 T286 | A272-T274 PolarHBondContact O-N 3.3Å; T274-R284 HydrophobicContact CG2-CG 3.76Å; T274-T286 HydrophobicContact CG2-CG2 4.01Å |
| 275 | I | 96.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 113 | 171.1 | -52.8 | -175.9 | 0 | 0 | 0 | 108.1 | F273 R277 R284 I285 F287 L293 V302 D306 L307 A310 | F273-I275 HydrophobicContact CD1-CD1 4.49Å; F273-I275 HydrophobicContact CD1-CG1 4.17Å; F273-I275 HydrophobicContact CE1-CD1 4.02Å; F273-I275 HydrophobicContact CE1-CG1 3.8Å; I275-R277 HydrophobicContact CG2-CG 3.8Å; I275-R284 WeakPolarHBondContact O-CA 3.4Å; I275-I285 HydrophobicContact CB-CG2 3.8Å; I275-I285 HydrophobicContact CG1-CG2 4.47Å; I275-I285 PolarHBondContact N-O 3.3Å; I275-I285 PolarHBondContact O-N 2.89Å; I275-F287 HydrophobicContact CD1-CE2 3.95Å; I275-F287 HydrophobicContact CG1-CE2 4.4Å; I275-L293 HydrophobicContact CD1-CD1 3.91Å; I275-V302 HydrophobicContact CD1-CG1 3.66Å; I275-V302 HydrophobicContact CD1-CG2 4.28Å; I275-D306 HydrophobicContact CG2-CB 3.79Å; I275-L307 HydrophobicContact CD1-CD1 4.13Å; I275-A310 HydrophobicContact CB-CB 4.21Å; I275-A310 HydrophobicContact CG1-CB 3.85Å; I275-A310 HydrophobicContact CG2-CB 4.14Å |
| 276 | N | 93 | Very high | 90.6 | Very high | 71 Ų | 71 | 68.2 Ų | 68.2 | 38% | 0.38 | 37% | 0.369 | S | S | . | . | trans | -87.9 | 117.8 | 175 | -62.8 | -64 | 0 | 0 | 0 | 109.2 | R284 | N276-R284 PolarHBondContact OD1-NE 2.98Å; N276-R284 PolarHBondContact OD1-NH2 3.37Å; N276-R284 VanDerWaalsContact OD1-NH2 3.14Å | ||
| 277 | R | 91.8 | Very high | 91 | Very high | 31 Ų | 31 | 68.2 Ų | 68.2 | 12% | 0.117 | 37% | 0.368 | C | S | . | . | trans | -124.5 | 158.9 | -179.9 | -50.9 | -178.5 | -68.8 | 176.8 | -1.1 | 109.9 | I275 F281 G283 L301 D306 | I275-R277 HydrophobicContact CG2-CG 3.8Å; R277-F281 VanDerWaalsContact CZ-O 3.23Å; R277-F281 PolarHBondContact NH1-O 3.04Å; R277-F281 PolarHBondContact NH2-O 3.1Å; R277-G283 PolarHBondContact NE-O 2.9Å; R277-G283 PolarHBondContact NH2-O 3.13Å; R277-L301 PolarHBondContact NH1-O 3.47Å; R277-D306 WeakPolarHBondContact CD-OD2 3.5Å; R277-D306 HydrophobicContact CG-CB 3.87Å; R277-D306 WeakPolarHBondContact CG-OD2 3.42Å | ||
| 278 | D | 87.9 | Confident | 91.3 | Very high | 95 Ų | 95 | 73.3 Ų | 73.3 | 51% | 0.508 | 40% | 0.395 | S | S | . | . | trans | -59.2 | 144.6 | 171.3 | -67.4 | -16.4 | 0 | 0 | 0 | 110.3 | K280 F281 G283 | D278-K280 HydrophobicContact CB-CD 4.4Å; D278-K280 HydrophobicContact CB-CG 3.87Å; D278-K280 PolarHBondContact O-N 3.2Å; D278-K280 VanDerWaalsContact O-N 3.11Å; D278-K280 WeakPolarHBondContact OD2-CE 3.21Å; D278-K280 IonicContact OD2-NZ 2.88Å; D278-K280 PolarHBondContact OD2-NZ 2.92Å; D278-F281 HydrophobicContact CB-CD2 3.96Å; D278-F281 HydrophobicContact CB-CE2 4.44Å; D278-F281 PolarHBondContact O-N 3.34Å; D278-G283 PolarHBondContact O-N 3.31Å | ||
| 279 | E | 90.2 | Very high | 91.5 | Very high | 163 Ų | 163 | 74.5 Ų | 74.5 | 76% | 0.762 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -53.7 | -34.3 | 178.3 | -70.1 | -63.5 | 160.4 | 0 | 0 | 112.7 | F281 G282 | E279-F281 PolarHBondContact O-N 3.42Å; E279-F281 VanDerWaalsContact O-N 3.1Å; E279-G282 PolarHBondContact O-N 2.91Å |
| 280 | K | 89.7 | Confident | 92.2 | Very high | 158 Ų | 158 | 72.3 Ų | 72.3 | 69% | 0.687 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -61.9 | -17.1 | 176.1 | 71.2 | -172.9 | 177.2 | -169.4 | 0 | 114.3 | D278 | D278-K280 HydrophobicContact CB-CD 4.4Å; D278-K280 HydrophobicContact CB-CG 3.87Å; D278-K280 PolarHBondContact O-N 3.2Å; D278-K280 VanDerWaalsContact O-N 3.11Å; D278-K280 WeakPolarHBondContact OD2-CE 3.21Å; D278-K280 IonicContact OD2-NZ 2.88Å; D278-K280 PolarHBondContact OD2-NZ 2.92Å |
| 281 | F | 86.1 | Confident | 92.9 | Very high | 119 Ų | 119 | 75.2 Ų | 75.2 | 52% | 0.522 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -109.8 | 20 | 176.6 | -56.5 | -55.2 | 0 | 0 | 0 | 112.4 | R277 D278 E279 | R277-F281 VanDerWaalsContact CZ-O 3.23Å; R277-F281 PolarHBondContact NH1-O 3.04Å; R277-F281 PolarHBondContact NH2-O 3.1Å; D278-F281 HydrophobicContact CB-CD2 3.96Å; D278-F281 HydrophobicContact CB-CE2 4.44Å; D278-F281 PolarHBondContact O-N 3.34Å; E279-F281 PolarHBondContact O-N 3.42Å; E279-F281 VanDerWaalsContact O-N 3.1Å |
| 282 | G | 85.6 | Confident | 93.2 | Very high | 56 Ų | 56 | 73 Ų | 73 | 58% | 0.577 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | 13 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | E279 | E279-G282 PolarHBondContact O-N 2.91Š|
| 283 | G | 92.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 71 Ų | 71 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | trans | 64.1 | -161.2 | 171 | 0 | 0 | 0 | 0 | 0 | 114.6 | R277 D278 I285 | R277-G283 PolarHBondContact NE-O 2.9Å; R277-G283 PolarHBondContact NH2-O 3.13Å; D278-G283 PolarHBondContact O-N 3.31Å; G283-I285 PolarHBondContact O-N 3.07Å | ||
| 284 | R | 95.1 | Very high | 93.3 | Very high | 176 Ų | 176 | 73.2 Ų | 73.2 | 66% | 0.664 | 36% | 0.357 | S | S | * | . | trans | -61.7 | 132 | -179.8 | 175.7 | -178.6 | -74.9 | 172.6 | -1 | 111.1 | T274 I275 N276 T286 | T274-R284 HydrophobicContact CG2-CG 3.76Å; I275-R284 WeakPolarHBondContact O-CA 3.4Å; N276-R284 PolarHBondContact OD1-NE 2.98Å; N276-R284 PolarHBondContact OD1-NH2 3.37Å; N276-R284 VanDerWaalsContact OD1-NH2 3.14Å; R284-T286 HydrophobicContact CG-CG2 4.49Å | ||
| 285 | I | 95.4 | Very high | 93.3 | Very high | 34 Ų | 34 | 76.4 Ų | 76.4 | 17% | 0.174 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 146.8 | 171.5 | -170.3 | 165.1 | 0 | 0 | 0 | 110.3 | I275 G283 F287 L301 | I275-I285 HydrophobicContact CB-CG2 3.8Å; I275-I285 HydrophobicContact CG1-CG2 4.47Å; I275-I285 PolarHBondContact N-O 3.3Å; I275-I285 PolarHBondContact O-N 2.89Å; G283-I285 PolarHBondContact O-N 3.07Å; I285-F287 HydrophobicContact CD1-CE1 4.11Å; I285-F287 HydrophobicContact CD1-CE2 4.24Å; I285-F287 HydrophobicContact CD1-CZ 3.55Å; I285-F287 HydrophobicContact CG1-CE1 4.32Å; I285-F287 HydrophobicContact CG1-CE2 4Å; I285-F287 HydrophobicContact CG1-CZ 3.76Å; I285-F287 HydrophobicContact CG2-CE2 3.91Å; I285-F287 HydrophobicContact CG2-CZ 4.27Å; I285-L301 HydrophobicContact CD1-CD2 4Å |
| 286 | T | 96.6 | Very high | 93.4 | Very high | 81 Ų | 81 | 76.8 Ų | 76.8 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 139.9 | -177 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | F273 T274 R284 | F273-T286 CarbonylContact O-C 3.47Å; F273-T286 VanDerWaalsContact O-CA 3.29Å; F273-T286 WeakPolarHBondContact O-CA 3.48Å; T274-T286 HydrophobicContact CG2-CG2 4.01Å; R284-T286 HydrophobicContact CG-CG2 4.49Å |
| 287 | F | 96.8 | Very high | 93.6 | Very high | 12 Ų | 12 | 73.4 Ų | 73.4 | 5% | 0.053 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 122 | 179.9 | -57.2 | -81 | 0 | 0 | 0 | 110.6 | F265 A272 F273 I275 I285 F292 L293 A296 V302 | F265-F287 HydrophobicContact CE1-CB 4.33Å; F265-F287 HydrophobicContact CZ-CB 3.97Å; A272-F287 CarbonylContact C-O 3.56Å; A272-F287 VanDerWaalsContact CA-O 3.29Å; A272-F287 WeakPolarHBondContact CA-O 3.29Å; F273-F287 PolarHBondContact N-O 2.73Å; F273-F287 PolarHBondContact O-N 3.13Å; I275-F287 HydrophobicContact CD1-CE2 3.95Å; I275-F287 HydrophobicContact CG1-CE2 4.4Å; I285-F287 HydrophobicContact CD1-CE1 4.11Å; I285-F287 HydrophobicContact CD1-CE2 4.24Å; I285-F287 HydrophobicContact CD1-CZ 3.55Å; I285-F287 HydrophobicContact CG1-CE1 4.32Å; I285-F287 HydrophobicContact CG1-CE2 4Å; I285-F287 HydrophobicContact CG1-CZ 3.76Å; I285-F287 HydrophobicContact CG2-CE2 3.91Å; I285-F287 HydrophobicContact CG2-CZ 4.27Å; F287-F292 HydrophobicContact CD1-CB 3.83Å; F287-F292 HydrophobicContact CE1-CB 4.47Å; F287-F292 WeakPolarHBondContact CE1-O 3.41Å; F287-L293 HydrophobicContact CB-CB 4.29Å; F287-L293 HydrophobicContact CD1-CB 4.18Å; F287-L293 HydrophobicContact CD2-CB 4.16Å; F287-L293 HydrophobicContact CD2-CD1 3.77Å; F287-L293 HydrophobicContact CE2-CD1 3.56Å; F287-L293 HydrophobicContact CG-CB 3.95Å; F287-L293 HydrophobicContact CG-CD1 4.4Å; F287-L293 HydrophobicContact CZ-CD1 4.05Å; F287-A296 HydrophobicContact CE1-CB 3.59Å; F287-A296 HydrophobicContact CZ-CB 3.63Å; F287-V302 HydrophobicContact CE2-CG2 4.13Å; F287-V302 HydrophobicContact CZ-CG2 3.82Å |
| 288 | D | 93.8 | Very high | 93.8 | Very high | 121 Ų | 121 | 74.2 Ų | 74.2 | 65% | 0.647 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -84.7 | -28.2 | 174.7 | 58.4 | -12.8 | 0 | 0 | 0 | 112.7 | F292 | D288-F292 VanDerWaalsContact OD1-CD2 3.26Å; D288-F292 WeakPolarHBondContact OD1-CD2 3.47Å; D288-F292 WeakPolarHBondContact OD1-CE2 3.47Å |
| 289 | D | 92.9 | Very high | 94.2 | Very high | 47 Ų | 47 | 73.5 Ų | 73.5 | 25% | 0.251 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -123.3 | 142.6 | 177.2 | -166.4 | -66.4 | 0 | 0 | 0 | 111.5 | R291 F292 | D289-R291 PolarHBondContact O-N 3.19Å; D289-R291 VanDerWaalsContact OD1-CB 3.27Å; D289-R291 WeakPolarHBondContact OD1-CB 3.46Å; D289-R291 VanDerWaalsContact OD1-CG 3.28Å; D289-R291 WeakPolarHBondContact OD1-CG 3.44Å; D289-R291 IonicContact OD1-CZ 3.73Å; D289-R291 PolarHBondContact OD1-N 3.48Å; D289-R291 IonicContact OD1-NE 3.91Å; D289-R291 PolarHBondContact OD1-NE 2.93Å; D289-R291 IonicContact OD1-NH2 2.77Å; D289-R291 IonicContact OD2-CZ 2.69Å; D289-R291 IonicContact OD2-NE 3.05Å; D289-R291 PolarHBondContact OD2-NE 3.5Å; D289-R291 IonicContact OD2-NH2 3.95Å; D289-R291 PolarHBondContact OD2-NH2 3.47Å; D289-F292 HydrophobicContact CB-CD2 3.71Å; D289-F292 HydrophobicContact CB-CE2 3.91Å; D289-F292 PolarHBondContact O-N 3.02Å |
| 290 | Y | 94.8 | Very high | 94.4 | Very high | 23 Ų | 23 | 72.2 Ų | 72.2 | 9% | 0.09 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.5 | -33.5 | 179.2 | 170.2 | -97.9 | 0 | 0 | 0 | 112.4 | L257 C260 R261 F265 F292 L293 E294 | L257-Y290 WeakPolarHBondContact O-CE2 3.22Å; C260-Y290 HydrophobicContact CB-CD2 4.27Å; C260-Y290 HydrophobicContact CB-CE2 4.23Å; R261-Y290 HydrophobicContact CB-CD1 4.15Å; R261-Y290 HydrophobicContact CB-CD2 3.77Å; R261-Y290 HydrophobicContact CB-CE1 3.95Å; R261-Y290 HydrophobicContact CB-CE2 3.55Å; R261-Y290 HydrophobicContact CB-CG 4.07Å; R261-Y290 HydrophobicContact CG-CD1 3.82Å; R261-Y290 HydrophobicContact CG-CD2 4.32Å; R261-Y290 HydrophobicContact CG-CE1 3.8Å; R261-Y290 HydrophobicContact CG-CE2 4.29Å; R261-Y290 HydrophobicContact CG-CG 4.09Å; F265-Y290 AromaticContact CD2-CD2 3.83Å; F265-Y290 HydrophobicContact CD2-CD2 3.83Å; F265-Y290 HydrophobicContact CD2-CG 4.26Å; F265-Y290 AromaticContact CE2-CD2 3.85Å; F265-Y290 HydrophobicContact CE2-CD2 3.85Å; F265-Y290 HydrophobicContact CE2-CG 4.41Å; Y290-F292 VanDerWaalsContact C-N 3.28Å; Y290-F292 PolarHBondContact O-N 3.35Å; Y290-L293 WeakPolarHBondContact O-CB 3.46Å; Y290-L293 PolarHBondContact O-N 2.8Å; Y290-E294 HydrophobicContact CE1-CB 4.02Å; Y290-E294 HydrophobicContact CE1-CG 4.38Å; Y290-E294 WeakPolarHBondContact CE1-OE2 3.26Å; Y290-E294 VanDerWaalsContact CZ-OE2 3.23Å; Y290-E294 PolarHBondContact O-N 2.98Å; Y290-E294 PolarHBondContact OH-OE2 3.2Å |
| 291 | R | 94.9 | Very high | 94.6 | Very high | 147 Ų | 147 | 69.4 Ų | 69.4 | 56% | 0.555 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -57.7 | -42 | 179.9 | -67.5 | 172.8 | -70.6 | 164.3 | 1.6 | 111.5 | D289 L293 E294 E295 | D289-R291 PolarHBondContact O-N 3.19Å; D289-R291 VanDerWaalsContact OD1-CB 3.27Å; D289-R291 WeakPolarHBondContact OD1-CB 3.46Å; D289-R291 VanDerWaalsContact OD1-CG 3.28Å; D289-R291 WeakPolarHBondContact OD1-CG 3.44Å; D289-R291 IonicContact OD1-CZ 3.73Å; D289-R291 PolarHBondContact OD1-N 3.48Å; D289-R291 IonicContact OD1-NE 3.91Å; D289-R291 PolarHBondContact OD1-NE 2.93Å; D289-R291 IonicContact OD1-NH2 2.77Å; D289-R291 IonicContact OD2-CZ 2.69Å; D289-R291 IonicContact OD2-NE 3.05Å; D289-R291 PolarHBondContact OD2-NE 3.5Å; D289-R291 IonicContact OD2-NH2 3.95Å; D289-R291 PolarHBondContact OD2-NH2 3.47Å; R291-L293 VanDerWaalsContact C-N 3.34Å; R291-L293 PolarHBondContact O-N 3.3Å; R291-E294 PolarHBondContact O-N 3.26Å; R291-E295 WeakPolarHBondContact O-CB 3.49Å; R291-E295 VanDerWaalsContact O-CG 3.31Å; R291-E295 WeakPolarHBondContact O-CG 3.39Å; R291-E295 PolarHBondContact O-N 3.34Å |
| 292 | F | 96.5 | Very high | 95 | Very high | 97 Ų | 97 | 63.8 Ų | 63.8 | 43% | 0.425 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.6 | -32.5 | 177.8 | -58.5 | -49.2 | 0 | 0 | 0 | 112.6 | F287 D288 D289 Y290 A296 | F287-F292 HydrophobicContact CD1-CB 3.83Å; F287-F292 HydrophobicContact CE1-CB 4.47Å; F287-F292 WeakPolarHBondContact CE1-O 3.41Å; D288-F292 VanDerWaalsContact OD1-CD2 3.26Å; D288-F292 WeakPolarHBondContact OD1-CD2 3.47Å; D288-F292 WeakPolarHBondContact OD1-CE2 3.47Å; D289-F292 HydrophobicContact CB-CD2 3.71Å; D289-F292 HydrophobicContact CB-CE2 3.91Å; D289-F292 PolarHBondContact O-N 3.02Å; Y290-F292 VanDerWaalsContact C-N 3.28Å; Y290-F292 PolarHBondContact O-N 3.35Å; F292-A296 WeakPolarHBondContact O-CB 3.29Å; F292-A296 PolarHBondContact O-N 2.92Å |
| 293 | L | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.1 | -44.2 | 171.7 | 175 | 66 | 0 | 0 | 0 | 111.2 | L257 C260 F265 F273 I275 F287 Y290 R291 A296 F297 V302 L307 | L257-L293 HydrophobicContact CD2-CD2 4.17Å; L257-L293 HydrophobicContact CD2-CG 4.15Å; C260-L293 HydrophobicContact CB-CD2 3.92Å; F265-L293 HydrophobicContact CE2-CB 4.26Å; F265-L293 HydrophobicContact CE2-CD2 3.68Å; F265-L293 HydrophobicContact CZ-CB 4.07Å; F265-L293 HydrophobicContact CZ-CD2 4.21Å; F273-L293 HydrophobicContact CD1-CD2 4.03Å; F273-L293 HydrophobicContact CE1-CD2 4.12Å; I275-L293 HydrophobicContact CD1-CD1 3.91Å; F287-L293 HydrophobicContact CB-CB 4.29Å; F287-L293 HydrophobicContact CD1-CB 4.18Å; F287-L293 HydrophobicContact CD2-CB 4.16Å; F287-L293 HydrophobicContact CD2-CD1 3.77Å; F287-L293 HydrophobicContact CE2-CD1 3.56Å; F287-L293 HydrophobicContact CG-CB 3.95Å; F287-L293 HydrophobicContact CG-CD1 4.4Å; F287-L293 HydrophobicContact CZ-CD1 4.05Å; Y290-L293 WeakPolarHBondContact O-CB 3.46Å; Y290-L293 PolarHBondContact O-N 2.8Å; R291-L293 VanDerWaalsContact C-N 3.34Å; R291-L293 PolarHBondContact O-N 3.3Å; L293-A296 PolarHBondContact O-N 3Å; L293-F297 WeakPolarHBondContact O-CB 3.46Å; L293-F297 PolarHBondContact O-N 3.13Å; L293-V302 HydrophobicContact CD1-CG2 4.47Å; L293-L307 HydrophobicContact CD1-CD1 4.23Å; L293-L307 HydrophobicContact CD2-CD1 4.22Å |
| 294 | E | 96.9 | Very high | 95.6 | Very high | 52 Ų | 52 | 66.9 Ų | 66.9 | 24% | 0.243 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 179.4 | -171 | 171.2 | 83.5 | 0 | 0 | 111.1 | I251 Y290 R291 F297 A298 | I251-E294 HydrophobicContact CB-CG 4.29Å; I251-E294 HydrophobicContact CG2-CG 3.88Å; Y290-E294 HydrophobicContact CE1-CB 4.02Å; Y290-E294 HydrophobicContact CE1-CG 4.38Å; Y290-E294 WeakPolarHBondContact CE1-OE2 3.26Å; Y290-E294 VanDerWaalsContact CZ-OE2 3.23Å; Y290-E294 PolarHBondContact O-N 2.98Å; Y290-E294 PolarHBondContact OH-OE2 3.2Å; R291-E294 PolarHBondContact O-N 3.26Å; E294-F297 PolarHBondContact O-N 2.82Å; E294-A298 VanDerWaalsContact O-CB 3.32Å; E294-A298 WeakPolarHBondContact O-CB 3.31Å; E294-A298 PolarHBondContact O-N 3.34Å |
| 295 | E | 97 | Very high | 95.5 | Very high | 120 Ų | 120 | 60.1 Ų | 60.1 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62 | -43.6 | 174.3 | -72.6 | 170.1 | -171.7 | 0 | 0 | 112.4 | R291 F297 A298 S299 | R291-E295 WeakPolarHBondContact O-CB 3.49Å; R291-E295 VanDerWaalsContact O-CG 3.31Å; R291-E295 WeakPolarHBondContact O-CG 3.39Å; R291-E295 PolarHBondContact O-N 3.34Å; E295-F297 VanDerWaalsContact C-N 3.32Å; E295-F297 PolarHBondContact O-N 3.06Å; E295-A298 PolarHBondContact O-N 3.33Å; E295-S299 WeakPolarHBondContact O-CB 3.36Å; E295-S299 PolarHBondContact O-N 2.77Å; E295-S299 PolarHBondContact O-OG 3.07Å |
| 296 | A | 96.6 | Very high | 95.5 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 7% | 0.066 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67 | -32.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F287 F292 L293 S299 L301 V302 | F287-A296 HydrophobicContact CE1-CB 3.59Å; F287-A296 HydrophobicContact CZ-CB 3.63Å; F292-A296 WeakPolarHBondContact O-CB 3.29Å; F292-A296 PolarHBondContact O-N 2.92Å; L293-A296 PolarHBondContact O-N 3Å; A296-S299 WeakPolarHBondContact CA-OG 3.32Å; A296-S299 PolarHBondContact O-OG 3.01Å; A296-L301 HydrophobicContact CB-CB 4.31Å; A296-L301 HydrophobicContact CB-CD2 4.22Å; A296-L301 WeakPolarHBondContact O-CA 3.27Å; A296-L301 VanDerWaalsContact O-CB 3.31Å; A296-L301 WeakPolarHBondContact O-CB 3.45Å; A296-L301 PolarHBondContact O-N 2.78Å; A296-V302 HydrophobicContact CB-CG2 3.94Å; A296-V302 PolarHBondContact O-N 3.26Å; A296-V302 VanDerWaalsContact O-N 3.15Å |
| 297 | F | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.3 | -42.7 | 174.4 | -167.8 | -91.3 | 0 | 0 | 0 | 111.6 | C246 E247 G249 N250 I251 N254 L257 L293 E294 E295 S299 E300 V302 P304 L307 | C246-F297 VanDerWaalsContact SG-CZ 3.52Å; E247-F297 WeakPolarHBondContact O-CE1 3.48Å; E247-F297 VanDerWaalsContact O-CZ 3.25Å; E247-F297 WeakPolarHBondContact O-CZ 3.49Å; G249-F297 WeakPolarHBondContact CA-O 3.26Å; G249-F297 PolarHBondContact N-O 2.79Å; N250-F297 WeakPolarHBondContact O-CE1 3.38Å; I251-F297 HydrophobicContact CG2-CD1 4.43Å; N254-F297 WeakPolarHBondContact ND2-CE1 3.14Å; L257-F297 HydrophobicContact CD1-CB 4.25Å; L257-F297 HydrophobicContact CD1-CD1 3.59Å; L257-F297 HydrophobicContact CD1-CE1 4.09Å; L257-F297 HydrophobicContact CD1-CG 3.93Å; L257-F297 HydrophobicContact CD2-CB 4.24Å; L257-F297 HydrophobicContact CD2-CG 4.26Å; L257-F297 HydrophobicContact CG-CD1 4.43Å; L257-F297 HydrophobicContact CG-CG 4.42Å; L293-F297 WeakPolarHBondContact O-CB 3.46Å; L293-F297 PolarHBondContact O-N 3.13Å; E294-F297 PolarHBondContact O-N 2.82Å; E295-F297 VanDerWaalsContact C-N 3.32Å; E295-F297 PolarHBondContact O-N 3.06Å; F297-S299 VanDerWaalsContact C-N 3.3Å; F297-S299 PolarHBondContact O-N 3.36Å; F297-E300 PolarHBondContact O-N 3.03Å; F297-V302 HydrophobicContact CD2-CB 4.3Å; F297-V302 HydrophobicContact CD2-CG1 4.27Å; F297-V302 WeakPolarHBondContact CD2-O 3.48Å; F297-P304 HydrophobicContact CE2-CB 4.41Å; F297-P304 HydrophobicContact CE2-CG 4.08Å; F297-P304 HydrophobicContact CZ-CB 4.46Å; F297-P304 HydrophobicContact CZ-CG 3.95Å; F297-L307 HydrophobicContact CD2-CD2 3.69Å; F297-L307 HydrophobicContact CE2-CB 4.5Å; F297-L307 HydrophobicContact CE2-CD2 3.65Å; F297-L307 HydrophobicContact CZ-CD2 4.48Å |
| 298 | A | 97 | Very high | 95.4 | Very high | 47 Ų | 47 | 57.1 Ų | 57.1 | 39% | 0.388 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.8 | -36.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I251 E294 E295 E300 | I251-A298 HydrophobicContact CG2-CB 3.87Å; E294-A298 VanDerWaalsContact O-CB 3.32Å; E294-A298 WeakPolarHBondContact O-CB 3.31Å; E294-A298 PolarHBondContact O-N 3.34Å; E295-A298 PolarHBondContact O-N 3.33Å; A298-E300 PolarHBondContact O-N 2.96Å |
| 299 | S | 96.1 | Very high | 95.5 | Very high | 81 Ų | 81 | 56.4 Ų | 56.4 | 57% | 0.566 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 8.1 | 174.6 | 56.2 | 0 | 0 | 0 | 0 | 114 | E295 A296 F297 L301 | E295-S299 WeakPolarHBondContact O-CB 3.36Å; E295-S299 PolarHBondContact O-N 2.77Å; E295-S299 PolarHBondContact O-OG 3.07Å; A296-S299 WeakPolarHBondContact CA-OG 3.32Å; A296-S299 PolarHBondContact O-OG 3.01Å; F297-S299 VanDerWaalsContact C-N 3.3Å; F297-S299 PolarHBondContact O-N 3.36Å; S299-L301 PolarHBondContact O-N 3.03Å |
| 300 | E | 94.7 | Very high | 95.6 | Very high | 136 Ų | 136 | 54.5 Ų | 54.5 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 16.4 | -178.2 | -59.9 | -177.6 | -144.2 | 0 | 0 | 114.6 | P248 F297 A298 V302 | P248-E300 HydrophobicContact CB-CG 4.38Å; F297-E300 PolarHBondContact O-N 3.03Å; A298-E300 PolarHBondContact O-N 2.96Å; E300-V302 VanDerWaalsContact C-N 3.25Å; E300-V302 PolarHBondContact O-N 3.5Å |
| 301 | L | 93.8 | Very high | 95.6 | Very high | 98 Ų | 98 | 53.4 Ų | 53.4 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | trans | -66.7 | -30 | 173.2 | -176.6 | 65.4 | 0 | 0 | 0 | 111.3 | R277 I285 A296 S299 | R277-L301 PolarHBondContact NH1-O 3.47Å; I285-L301 HydrophobicContact CD1-CD2 4Å; A296-L301 HydrophobicContact CB-CB 4.31Å; A296-L301 HydrophobicContact CB-CD2 4.22Å; A296-L301 WeakPolarHBondContact O-CA 3.27Å; A296-L301 VanDerWaalsContact O-CB 3.31Å; A296-L301 WeakPolarHBondContact O-CB 3.45Å; A296-L301 PolarHBondContact O-N 2.78Å; S299-L301 PolarHBondContact O-N 3.03Å | ||
| 302 | V | 95.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -107.8 | 114.3 | 175.4 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | I275 F287 L293 A296 F297 E300 L307 | I275-V302 HydrophobicContact CD1-CG1 3.66Å; I275-V302 HydrophobicContact CD1-CG2 4.28Å; F287-V302 HydrophobicContact CE2-CG2 4.13Å; F287-V302 HydrophobicContact CZ-CG2 3.82Å; L293-V302 HydrophobicContact CD1-CG2 4.47Å; A296-V302 HydrophobicContact CB-CG2 3.94Å; A296-V302 PolarHBondContact O-N 3.26Å; A296-V302 VanDerWaalsContact O-N 3.15Å; F297-V302 HydrophobicContact CD2-CB 4.3Å; F297-V302 HydrophobicContact CD2-CG1 4.27Å; F297-V302 WeakPolarHBondContact CD2-O 3.48Å; E300-V302 VanDerWaalsContact C-N 3.25Å; E300-V302 PolarHBondContact O-N 3.5Å; V302-L307 HydrophobicContact CG1-CB 3.97Å |
| 303 | H | 94.6 | Very high | 95.5 | Very high | 113 Ų | 113 | 45.4 Ų | 45.4 | 52% | 0.523 | 25% | 0.246 | S | C | . | . | trans | -71.3 | 141.3 | 176.7 | -177.1 | -100.8 | 0 | 0 | 0 | 111.4 | G305 D306 L307 | H303-G305 PolarHBondContact ND1-N 3.29Å; H303-G305 VanDerWaalsContact ND1-N 3.14Å; H303-G305 PolarHBondContact O-N 3.48Å; H303-G305 VanDerWaalsContact O-N 3.14Å; H303-D306 PolarHBondContact O-N 3.09Å; H303-L307 PolarHBondContact O-N 3.16Å; H303-L307 VanDerWaalsContact O-N 3.14Å | ||
| 304 | P | 94.6 | Very high | 95.3 | Very high | 10 Ų | 10 | 46.7 Ų | 46.7 | 7% | 0.065 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -54.7 | -34.9 | -179.7 | -29.4 | 35.1 | 0 | 0 | 0 | 115.3 | C246 P248 F297 K308 | C246-P304 HydrophobicContact CB-CB 4.24Å; C246-P304 WeakPolarHBondContact O-CB 3.39Å; C246-P304 WeakPolarHBondContact O-CG 3.44Å; P248-P304 HydrophobicContact CB-CG 4.23Å; P248-P304 HydrophobicContact CG-CG 3.81Å; F297-P304 HydrophobicContact CE2-CB 4.41Å; F297-P304 HydrophobicContact CE2-CG 4.08Å; F297-P304 HydrophobicContact CZ-CB 4.46Å; F297-P304 HydrophobicContact CZ-CG 3.95Å; P304-K308 WeakPolarHBondContact O-CB 3.3Å; P304-K308 VanDerWaalsContact O-CG 3.24Å; P304-K308 WeakPolarHBondContact O-CG 3.36Å; P304-K308 PolarHBondContact O-N 3.33Å |
| 305 | G | 94.4 | Very high | 95.1 | Very high | 35 Ų | 35 | 44.2 Ų | 44.2 | 36% | 0.361 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.6 | -39.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | H303 K309 | H303-G305 PolarHBondContact ND1-N 3.29Å; H303-G305 VanDerWaalsContact ND1-N 3.14Å; H303-G305 PolarHBondContact O-N 3.48Å; H303-G305 VanDerWaalsContact O-N 3.14Å; G305-K309 WeakPolarHBondContact O-CB 3.46Å; G305-K309 PolarHBondContact O-N 3.06Å |
| 306 | D | 95.2 | Very high | 95 | Very high | 29 Ų | 29 | 39.7 Ų | 39.7 | 16% | 0.155 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.4 | -42.3 | -179.9 | -62.5 | -29.9 | 0 | 0 | 0 | 110.8 | I275 R277 H303 K309 A310 | I275-D306 HydrophobicContact CG2-CB 3.79Å; R277-D306 WeakPolarHBondContact CD-OD2 3.5Å; R277-D306 HydrophobicContact CG-CB 3.87Å; R277-D306 WeakPolarHBondContact CG-OD2 3.42Å; H303-D306 PolarHBondContact O-N 3.09Å; D306-K309 PolarHBondContact O-N 3.13Å; D306-A310 PolarHBondContact O-N 3.26Å |
| 307 | L | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.5 | -49.5 | 174 | 179.8 | 61.2 | 0 | 0 | 0 | 111.1 | V256 L257 F273 I275 L293 F297 V302 H303 K309 A310 V311 | V256-L307 HydrophobicContact CB-CD2 4.49Å; V256-L307 HydrophobicContact CG1-CD2 3.91Å; V256-L307 HydrophobicContact CG1-CG 3.76Å; L257-L307 HydrophobicContact CD2-CD2 3.66Å; L257-L307 HydrophobicContact CG-CD2 3.96Å; F273-L307 HydrophobicContact CE1-CD1 4.09Å; I275-L307 HydrophobicContact CD1-CD1 4.13Å; L293-L307 HydrophobicContact CD1-CD1 4.23Å; L293-L307 HydrophobicContact CD2-CD1 4.22Å; F297-L307 HydrophobicContact CD2-CD2 3.69Å; F297-L307 HydrophobicContact CE2-CB 4.5Å; F297-L307 HydrophobicContact CE2-CD2 3.65Å; F297-L307 HydrophobicContact CZ-CD2 4.48Å; V302-L307 HydrophobicContact CG1-CB 3.97Å; H303-L307 PolarHBondContact O-N 3.16Å; H303-L307 VanDerWaalsContact O-N 3.14Å; L307-K309 VanDerWaalsContact C-N 3.28Å; L307-K309 PolarHBondContact O-N 3.14Å; L307-A310 PolarHBondContact O-N 3.19Å; L307-V311 HydrophobicContact CD1-CG2 4.15Å; L307-V311 HydrophobicContact CG-CG2 4.48Å; L307-V311 WeakPolarHBondContact O-CB 3.2Å; L307-V311 VanDerWaalsContact O-CG2 3.31Å; L307-V311 WeakPolarHBondContact O-CG2 3.39Å; L307-V311 PolarHBondContact O-N 2.73Å |
| 308 | K | 94.8 | Very high | 94.5 | Very high | 34 Ų | 34 | 46.6 Ų | 46.6 | 15% | 0.148 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.2 | -41.1 | 176.3 | -79.1 | 170.6 | 169.9 | 179.1 | 0 | 111.9 | L241 K242 A244 V256 P304 G312 | L241-K308 VanDerWaalsContact O-CD 3.23Å; L241-K308 WeakPolarHBondContact O-CD 3.17Å; L241-K308 WeakPolarHBondContact O-CE 3.14Å; K242-K308 PolarHBondContact O-NZ 2.98Å; A244-K308 WeakPolarHBondContact O-CE 3.2Å; A244-K308 PolarHBondContact O-NZ 2.7Å; V256-K308 HydrophobicContact CG2-CG 4.24Å; P304-K308 WeakPolarHBondContact O-CB 3.3Å; P304-K308 VanDerWaalsContact O-CG 3.24Å; P304-K308 WeakPolarHBondContact O-CG 3.36Å; P304-K308 PolarHBondContact O-N 3.33Å; K308-G312 PolarHBondContact O-N 2.9Å |
| 309 | K | 94.8 | Very high | 94.3 | Very high | 107 Ų | 107 | 44.3 Ų | 44.3 | 47% | 0.465 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.2 | -50.8 | 177.4 | -172.9 | -174.6 | 178 | -62.7 | 0 | 111.1 | G305 D306 L307 V311 G312 D313 | G305-K309 WeakPolarHBondContact O-CB 3.46Å; G305-K309 PolarHBondContact O-N 3.06Å; D306-K309 PolarHBondContact O-N 3.13Å; L307-K309 VanDerWaalsContact C-N 3.28Å; L307-K309 PolarHBondContact O-N 3.14Å; K309-V311 VanDerWaalsContact C-N 3.33Å; K309-V311 PolarHBondContact O-N 3.07Å; K309-G312 PolarHBondContact O-N 2.97Å; K309-G312 VanDerWaalsContact O-N 3.09Å; K309-D313 IonicContact NZ-OD1 3Å; K309-D313 IonicContact NZ-OD2 2.65Å; K309-D313 PolarHBondContact NZ-OD2 2.74Å; K309-D313 VanDerWaalsContact O-CG 3.29Å; K309-D313 PolarHBondContact O-N 3.01Å |
| 310 | A | 95.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 45 Ų | 45 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.1 | -40.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F273 I275 D306 L307 D313 F314 | F273-A310 HydrophobicContact CE1-CB 4.31Å; F273-A310 HydrophobicContact CE2-CB 4.4Å; F273-A310 HydrophobicContact CZ-CB 3.73Å; I275-A310 HydrophobicContact CB-CB 4.21Å; I275-A310 HydrophobicContact CG1-CB 3.85Å; I275-A310 HydrophobicContact CG2-CB 4.14Å; D306-A310 PolarHBondContact O-N 3.26Å; L307-A310 PolarHBondContact O-N 3.19Å; A310-D313 PolarHBondContact O-N 3.06Å; A310-F314 PolarHBondContact O-N 3.23Å; A310-F314 VanDerWaalsContact O-N 3.08Å |
| 311 | V | 94.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.8 | -41 | 173.3 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | L241 V256 F259 C260 I264 F273 L307 K309 F314 I315 | L241-V311 HydrophobicContact CD2-CG1 4.22Å; V256-V311 HydrophobicContact CG1-CB 4.21Å; V256-V311 HydrophobicContact CG1-CG1 4.39Å; V256-V311 HydrophobicContact CG1-CG2 3.73Å; F259-V311 HydrophobicContact CD1-CG1 4.11Å; C260-V311 WeakPolarHBondContact SG-CG2 3.21Å; I264-V311 HydrophobicContact CD1-CB 4.34Å; I264-V311 HydrophobicContact CD1-CG1 4.24Å; I264-V311 HydrophobicContact CD1-CG2 3.85Å; F273-V311 HydrophobicContact CZ-CG2 4.09Å; L307-V311 HydrophobicContact CD1-CG2 4.15Å; L307-V311 HydrophobicContact CG-CG2 4.48Å; L307-V311 WeakPolarHBondContact O-CB 3.2Å; L307-V311 VanDerWaalsContact O-CG2 3.31Å; L307-V311 WeakPolarHBondContact O-CG2 3.39Å; L307-V311 PolarHBondContact O-N 2.73Å; K309-V311 VanDerWaalsContact C-N 3.33Å; K309-V311 PolarHBondContact O-N 3.07Å; V311-F314 PolarHBondContact O-N 3.09Å; V311-I315 HydrophobicContact CG1-CD1 3.74Å; V311-I315 HydrophobicContact CG1-CG1 4.32Å; V311-I315 WeakPolarHBondContact O-CB 3.39Å; V311-I315 VanDerWaalsContact O-CG1 3.31Å; V311-I315 WeakPolarHBondContact O-CG1 3.37Å; V311-I315 PolarHBondContact O-N 3.32Å |
| 312 | G | 94.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K308 K309 F314 I315 N316 | K308-G312 PolarHBondContact O-N 2.9Å; K309-G312 PolarHBondContact O-N 2.97Å; K309-G312 VanDerWaalsContact O-N 3.09Å; G312-F314 VanDerWaalsContact C-N 3.34Å; G312-I315 PolarHBondContact O-N 3.07Å; G312-N316 WeakPolarHBondContact O-CB 3.28Å; G312-N316 PolarHBondContact O-N 2.88Å; G312-N316 PolarHBondContact O-ND2 2.93Å; G312-N316 VanDerWaalsContact O-ND2 3.11Å |
| 313 | D | 94.5 | Very high | 93.6 | Very high | 73 Ų | 73 | 38.8 Ų | 38.8 | 39% | 0.39 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.5 | -45.4 | 175.5 | -66 | -18.8 | 0 | 0 | 0 | 110 | K309 A310 N316 E317 | K309-D313 IonicContact NZ-OD1 3Å; K309-D313 IonicContact NZ-OD2 2.65Å; K309-D313 PolarHBondContact NZ-OD2 2.74Å; K309-D313 VanDerWaalsContact O-CG 3.29Å; K309-D313 PolarHBondContact O-N 3.01Å; A310-D313 PolarHBondContact O-N 3.06Å; D313-N316 PolarHBondContact O-N 3.4Å; D313-E317 PolarHBondContact O-N 2.87Å; D313-E317 VanDerWaalsContact O-N 3.08Å |
| 314 | F | 93.7 | Very high | 93.4 | Very high | 27 Ų | 27 | 36.8 Ų | 36.8 | 12% | 0.118 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66 | -43.5 | 176.6 | -171.5 | -93.6 | 0 | 0 | 0 | 113.3 | I264 L267 L268 A310 V311 G312 N316 E317 L318 | I264-F314 HydrophobicContact CB-CD1 4.23Å; I264-F314 HydrophobicContact CB-CE1 3.97Å; I264-F314 HydrophobicContact CB-CZ 4.36Å; I264-F314 HydrophobicContact CD1-CB 4.27Å; I264-F314 HydrophobicContact CD1-CD1 3.82Å; I264-F314 HydrophobicContact CD1-CE1 4.42Å; I264-F314 HydrophobicContact CD1-CG 4.16Å; I264-F314 HydrophobicContact CG1-CD1 3.6Å; I264-F314 HydrophobicContact CG1-CE1 3.71Å; I264-F314 HydrophobicContact CG1-CG 4.32Å; I264-F314 HydrophobicContact CG2-CD1 4Å; I264-F314 HydrophobicContact CG2-CD2 4.1Å; I264-F314 HydrophobicContact CG2-CE1 3.85Å; I264-F314 HydrophobicContact CG2-CE2 3.99Å; I264-F314 HydrophobicContact CG2-CG 4.1Å; I264-F314 HydrophobicContact CG2-CZ 3.86Å; L267-F314 HydrophobicContact CB-CZ 4.29Å; L268-F314 HydrophobicContact CD2-CE2 3.86Å; L268-F314 HydrophobicContact CG-CE2 4.38Å; A310-F314 PolarHBondContact O-N 3.23Å; A310-F314 VanDerWaalsContact O-N 3.08Å; V311-F314 PolarHBondContact O-N 3.09Å; G312-F314 VanDerWaalsContact C-N 3.34Å; F314-N316 VanDerWaalsContact C-N 3.29Å; F314-N316 PolarHBondContact O-N 3.25Å; F314-E317 PolarHBondContact O-N 3.28Å; F314-L318 HydrophobicContact CD1-CD1 3.71Å; F314-L318 HydrophobicContact CD1-CG 4Å; F314-L318 HydrophobicContact CE1-CD1 3.35Å; F314-L318 HydrophobicContact CE1-CD2 4.2Å; F314-L318 HydrophobicContact CE1-CG 3.72Å; F314-L318 HydrophobicContact CZ-CD1 4.27Å; F314-L318 HydrophobicContact CZ-CD2 4.35Å; F314-L318 HydrophobicContact CZ-CG 4.29Å; F314-L318 WeakPolarHBondContact O-CG 3.39Å; F314-L318 PolarHBondContact O-N 3.11Å |
| 315 | I | 93.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60 | -42.5 | 175.6 | -74.7 | 172.3 | 0 | 0 | 0 | 110.2 | I46 I228 V237 L241 F259 V311 G312 E317 L318 L319 | I46-I315 HydrophobicContact CD1-CG1 4.32Å; I46-I315 HydrophobicContact CD1-CG2 3.85Å; I46-I315 HydrophobicContact CG1-CD1 4.38Å; I46-I315 HydrophobicContact CG1-CG1 4.45Å; I228-I315 HydrophobicContact CD1-CD1 4.12Å; I228-I315 HydrophobicContact CG2-CG2 4.42Å; V237-I315 HydrophobicContact CG1-CB 4.34Å; V237-I315 HydrophobicContact CG1-CG2 3.83Å; V237-I315 HydrophobicContact CG2-CG2 4.29Å; L241-I315 HydrophobicContact CD1-CD1 4.29Å; L241-I315 HydrophobicContact CD2-CD1 4.45Å; F259-I315 HydrophobicContact CD1-CD1 4.27Å; F259-I315 HydrophobicContact CD1-CG1 4.47Å; F259-I315 HydrophobicContact CE1-CD1 3.83Å; F259-I315 HydrophobicContact CE1-CG1 3.64Å; F259-I315 HydrophobicContact CZ-CD1 4.17Å; F259-I315 HydrophobicContact CZ-CG1 4.02Å; V311-I315 HydrophobicContact CG1-CD1 3.74Å; V311-I315 HydrophobicContact CG1-CG1 4.32Å; V311-I315 WeakPolarHBondContact O-CB 3.39Å; V311-I315 VanDerWaalsContact O-CG1 3.31Å; V311-I315 WeakPolarHBondContact O-CG1 3.37Å; V311-I315 PolarHBondContact O-N 3.32Å; G312-I315 PolarHBondContact O-N 3.07Å; I315-E317 VanDerWaalsContact C-N 3.35Å; I315-E317 PolarHBondContact O-N 3.41Å; I315-L318 PolarHBondContact O-N 2.64Å; I315-L319 HydrophobicContact CG2-CD1 3.77Å; I315-L319 HydrophobicContact CG2-CG 4.1Å; I315-L319 WeakPolarHBondContact O-CB 3.32Å; I315-L319 VanDerWaalsContact O-CG 3.29Å; I315-L319 WeakPolarHBondContact O-CG 3.15Å; I315-L319 PolarHBondContact O-N 2.74Å |
| 316 | N | 94.5 | Very high | 92.9 | Very high | 25 Ų | 25 | 39.2 Ų | 39.2 | 13% | 0.134 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.6 | -39.8 | 177.9 | -81.5 | -42.8 | 0 | 0 | 0 | 112.6 | P234 G312 D313 F314 L319 Q320 R323 | P234-N316 WeakPolarHBondContact CA-OD1 3.43Å; G312-N316 WeakPolarHBondContact O-CB 3.28Å; G312-N316 PolarHBondContact O-N 2.88Å; G312-N316 PolarHBondContact O-ND2 2.93Å; G312-N316 VanDerWaalsContact O-ND2 3.11Å; D313-N316 PolarHBondContact O-N 3.4Å; F314-N316 VanDerWaalsContact C-N 3.29Å; F314-N316 PolarHBondContact O-N 3.25Å; N316-L319 PolarHBondContact O-N 3.13Å; N316-Q320 WeakPolarHBondContact O-CB 3.41Å; N316-Q320 PolarHBondContact O-N 3.15Å; N316-R323 PolarHBondContact OD1-NH1 3.47Å; N316-R323 PolarHBondContact OD1-NH2 3.42Å |
| 317 | E | 92.5 | Very high | 92.6 | Very high | 137 Ų | 137 | 41.8 Ų | 41.8 | 64% | 0.64 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -61.1 | -45.4 | 172.5 | -172.3 | -177.4 | 163.8 | 0 | 0 | 111.3 | D313 F314 I315 L319 Q320 | D313-E317 PolarHBondContact O-N 2.87Å; D313-E317 VanDerWaalsContact O-N 3.08Å; F314-E317 PolarHBondContact O-N 3.28Å; I315-E317 VanDerWaalsContact C-N 3.35Å; I315-E317 PolarHBondContact O-N 3.41Å; E317-L319 PolarHBondContact O-N 3.16Å; E317-Q320 PolarHBondContact O-N 3.05Å |
| 318 | L | 90.2 | Very high | 92.5 | Very high | 15 Ų | 15 | 45.5 Ų | 45.5 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.4 | -39.5 | 178.1 | -76.1 | -176.8 | 0 | 0 | 0 | 113.5 | F49 V263 L267 F314 I315 P321 | F49-L318 HydrophobicContact CD1-CD1 4.36Å; F49-L318 HydrophobicContact CD2-CD1 4.5Å; F49-L318 HydrophobicContact CE1-CD1 4.05Å; F49-L318 HydrophobicContact CE1-CD2 4.26Å; F49-L318 HydrophobicContact CE2-CB 4.35Å; F49-L318 HydrophobicContact CE2-CD1 4.2Å; F49-L318 HydrophobicContact CZ-CB 3.9Å; F49-L318 HydrophobicContact CZ-CD1 3.96Å; F49-L318 HydrophobicContact CZ-CD2 4.41Å; F49-L318 HydrophobicContact CZ-CG 4.34Å; V263-L318 HydrophobicContact CG1-CD1 4.39Å; L267-L318 HydrophobicContact CD1-CD1 4.17Å; L267-L318 HydrophobicContact CD1-CD2 4.27Å; F314-L318 HydrophobicContact CD1-CD1 3.71Å; F314-L318 HydrophobicContact CD1-CG 4Å; F314-L318 HydrophobicContact CE1-CD1 3.35Å; F314-L318 HydrophobicContact CE1-CD2 4.2Å; F314-L318 HydrophobicContact CE1-CG 3.72Å; F314-L318 HydrophobicContact CZ-CD1 4.27Å; F314-L318 HydrophobicContact CZ-CD2 4.35Å; F314-L318 HydrophobicContact CZ-CG 4.29Å; F314-L318 WeakPolarHBondContact O-CG 3.39Å; F314-L318 PolarHBondContact O-N 3.11Å; I315-L318 PolarHBondContact O-N 2.64Å; L318-P321 WeakPolarHBondContact O-CD 3.35Å |
| 319 | L | 92.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -81.8 | -17.4 | -177.3 | -65 | -174.3 | 0 | 0 | 0 | 112.9 | I46 F49 I228 L230 V237 I315 N316 E317 I322 R323 | I46-L319 HydrophobicContact CD1-CD1 4.31Å; I46-L319 HydrophobicContact CD1-CD2 3.86Å; I46-L319 HydrophobicContact CD1-CG 4.2Å; F49-L319 HydrophobicContact CE2-CD2 4.15Å; I228-L319 HydrophobicContact CG2-CD1 4.11Å; L230-L319 HydrophobicContact CB-CD2 4.2Å; L230-L319 HydrophobicContact CD2-CD2 3.65Å; V237-L319 HydrophobicContact CG2-CD1 4.23Å; I315-L319 HydrophobicContact CG2-CD1 3.77Å; I315-L319 HydrophobicContact CG2-CG 4.1Å; I315-L319 WeakPolarHBondContact O-CB 3.32Å; I315-L319 VanDerWaalsContact O-CG 3.29Å; I315-L319 WeakPolarHBondContact O-CG 3.15Å; I315-L319 PolarHBondContact O-N 2.74Å; N316-L319 PolarHBondContact O-N 3.13Å; E317-L319 PolarHBondContact O-N 3.16Å; L319-I322 HydrophobicContact CD2-CD1 4.21Å; L319-I322 WeakPolarHBondContact O-CB 3.28Å; L319-I322 PolarHBondContact O-N 3.09Å; L319-I322 VanDerWaalsContact O-N 3.08Å; L319-R323 WeakPolarHBondContact O-CG 3.39Å; L319-R323 PolarHBondContact O-N 3.08Å |
| 320 | Q | 92.7 | Very high | 92.3 | Very high | 96 Ų | 96 | 48.3 Ų | 48.3 | 45% | 0.449 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -55.6 | -47 | -175.3 | -173.1 | 61.9 | 25.3 | 0 | 0 | 113.6 | N316 E317 I322 R323 C324 | N316-Q320 WeakPolarHBondContact O-CB 3.41Å; N316-Q320 PolarHBondContact O-N 3.15Å; E317-Q320 PolarHBondContact O-N 3.05Å; Q320-I322 VanDerWaalsContact C-N 3.29Å; Q320-I322 PolarHBondContact O-N 3.13Å; Q320-R323 PolarHBondContact O-N 2.94Å; Q320-C324 PolarHBondContact NE2-SG 3.22Å; Q320-C324 VanDerWaalsContact NE2-SG 3.42Å; Q320-C324 PolarHBondContact O-N 3.28Å; Q320-C324 PolarHBondContact O-SG 3.11Å |
| 321 | P | 89.9 | Confident | 92.2 | Very high | 70 Ų | 70 | 48.5 Ų | 48.5 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.4 | -37.4 | 177.3 | -22.9 | 35.2 | 0 | 0 | 0 | 112.9 | T103 L318 C324 K325 | T103-P321 HydrophobicContact CG2-CG 4.41Å; L318-P321 WeakPolarHBondContact O-CD 3.35Å; P321-C324 PolarHBondContact O-N 2.85Å; P321-K325 PolarHBondContact O-N 2.9Å |
| 322 | I | 89.9 | Confident | 92.1 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.8 | -44 | -180 | -55.7 | 175.4 | 0 | 0 | 0 | 110.2 | M99 L100 L230 L231 L319 Q320 K325 A326 | M99-I322 HydrophobicContact CB-CG1 4.13Å; M99-I322 HydrophobicContact CE-CG2 4.04Å; M99-I322 HydrophobicContact SD-CG1 4.36Å; L100-I322 HydrophobicContact CD2-CD1 3.62Å; L100-I322 HydrophobicContact CG-CD1 4.34Å; L230-I322 HydrophobicContact CB-CD1 4.48Å; L230-I322 HydrophobicContact CB-CG2 4.35Å; L231-I322 HydrophobicContact CD2-CG2 3.95Å; L319-I322 HydrophobicContact CD2-CD1 4.21Å; L319-I322 WeakPolarHBondContact O-CB 3.28Å; L319-I322 PolarHBondContact O-N 3.09Å; L319-I322 VanDerWaalsContact O-N 3.08Å; Q320-I322 VanDerWaalsContact C-N 3.29Å; Q320-I322 PolarHBondContact O-N 3.13Å; I322-K325 PolarHBondContact O-N 3.32Å; I322-A326 WeakPolarHBondContact O-CB 3.18Å; I322-A326 PolarHBondContact O-N 3.21Å |
| 323 | R | 92.1 | Very high | 92 | Very high | 34 Ų | 34 | 52 Ų | 52 | 13% | 0.128 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 175.5 | -68.6 | 171.7 | -175.7 | 156.1 | -2.5 | 111.7 | D232 N316 L319 Q320 A326 A327 | D232-R323 PolarHBondContact O-NE 2.71Å; D232-R323 PolarHBondContact O-NH2 3.08Å; N316-R323 PolarHBondContact OD1-NH1 3.47Å; N316-R323 PolarHBondContact OD1-NH2 3.42Å; L319-R323 WeakPolarHBondContact O-CG 3.39Å; L319-R323 PolarHBondContact O-N 3.08Å; Q320-R323 PolarHBondContact O-N 2.94Å; R323-A326 PolarHBondContact O-N 3.21Å; R323-A327 PolarHBondContact O-N 2.61Å; R323-A327 VanDerWaalsContact O-N 3.15Å |
| 324 | C | 91.9 | Very high | 92 | Very high | 71 Ų | 71 | 50 Ų | 50 | 48% | 0.48 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.7 | -46.1 | 174.4 | -70.8 | 0 | 0 | 0 | 0 | 111.3 | Q320 P321 A326 A327 | Q320-C324 PolarHBondContact NE2-SG 3.22Å; Q320-C324 VanDerWaalsContact NE2-SG 3.42Å; Q320-C324 PolarHBondContact O-N 3.28Å; Q320-C324 PolarHBondContact O-SG 3.11Å; P321-C324 PolarHBondContact O-N 2.85Å; C324-A326 VanDerWaalsContact C-N 3.28Å; C324-A326 PolarHBondContact O-N 3.48Å; C324-A327 PolarHBondContact O-N 3.15Å |
| 325 | K | 89.2 | Confident | 91.9 | Very high | 77 Ų | 77 | 49.6 Ų | 49.6 | 34% | 0.335 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 176.7 | -170 | 58 | 166.3 | -179.4 | 0 | 111.9 | M99 P321 I322 A327 E328 F331 | M99-K325 HydrophobicContact CE-CB 4.33Å; M99-K325 HydrophobicContact CE-CG 4.16Å; M99-K325 HydrophobicContact SD-CB 3.46Å; M99-K325 WeakPolarHBondContact SD-CB 3.3Å; M99-K325 HydrophobicContact SD-CG 3.53Å; M99-K325 VanDerWaalsContact SD-CG 3.53Å; P321-K325 PolarHBondContact O-N 2.9Å; I322-K325 PolarHBondContact O-N 3.32Å; K325-A327 PolarHBondContact O-N 3.5Å; K325-E328 VanDerWaalsContact CD-CD 3.45Å; K325-E328 HydrophobicContact CD-CG 4.37Å; K325-E328 WeakPolarHBondContact CD-OE1 3.45Å; K325-E328 WeakPolarHBondContact CE-OE2 3.4Å; K325-E328 IonicContact NZ-OE1 2.7Å; K325-E328 PolarHBondContact NZ-OE1 3.22Å; K325-E328 IonicContact NZ-OE2 3.22Å; K325-E328 PolarHBondContact NZ-OE2 2.93Å; K325-E328 WeakPolarHBondContact O-CB 3.37Å; K325-E328 PolarHBondContact O-N 3.12Å; K325-E328 VanDerWaalsContact O-N 3.08Å; K325-F331 HydrophobicContact CG-CB 4.48Å; K325-F331 HydrophobicContact CG-CD1 4.33Å; K325-F331 HydrophobicContact CG-CD2 4.29Å; K325-F331 HydrophobicContact CG-CG 4.09Å; K325-F331 WeakPolarHBondContact O-CB 3.42Å |
| 326 | A | 88.5 | Confident | 91.9 | Very high | 19 Ų | 19 | 54.5 Ų | 54.5 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.8 | -23.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L231 I322 R323 C324 E328 F331 I335 | L231-A326 HydrophobicContact CD2-CB 3.51Å; I322-A326 WeakPolarHBondContact O-CB 3.18Å; I322-A326 PolarHBondContact O-N 3.21Å; R323-A326 PolarHBondContact O-N 3.21Å; C324-A326 VanDerWaalsContact C-N 3.28Å; C324-A326 PolarHBondContact O-N 3.48Å; A326-E328 VanDerWaalsContact C-N 3.31Å; A326-F331 HydrophobicContact CB-CD1 4.34Å; A326-I335 HydrophobicContact CB-CD1 4.03Å |
| 327 | A | 90 | Very high | 91.8 | Very high | 83 Ų | 83 | 58.7 Ų | 58.7 | 69% | 0.686 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -13.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | R323 C324 K325 | R323-A327 PolarHBondContact O-N 2.61Å; R323-A327 VanDerWaalsContact O-N 3.15Å; C324-A327 PolarHBondContact O-N 3.15Å; K325-A327 PolarHBondContact O-N 3.5Å |
| 328 | E | 93.3 | Very high | 91.8 | Very high | 77 Ų | 77 | 52.2 Ų | 52.2 | 36% | 0.36 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -69.6 | 130.6 | 175.6 | -65.6 | 179.6 | -157.5 | 0 | 0 | 110.6 | K325 A326 S330 F331 A332 | K325-E328 VanDerWaalsContact CD-CD 3.45Å; K325-E328 HydrophobicContact CD-CG 4.37Å; K325-E328 WeakPolarHBondContact CD-OE1 3.45Å; K325-E328 WeakPolarHBondContact CE-OE2 3.4Å; K325-E328 IonicContact NZ-OE1 2.7Å; K325-E328 PolarHBondContact NZ-OE1 3.22Å; K325-E328 IonicContact NZ-OE2 3.22Å; K325-E328 PolarHBondContact NZ-OE2 2.93Å; K325-E328 WeakPolarHBondContact O-CB 3.37Å; K325-E328 PolarHBondContact O-N 3.12Å; K325-E328 VanDerWaalsContact O-N 3.08Å; A326-E328 VanDerWaalsContact C-N 3.31Å; E328-S330 VanDerWaalsContact C-N 3.26Å; E328-S330 PolarHBondContact O-N 3.39Å; E328-S330 VanDerWaalsContact O-N 3.11Å; E328-F331 HydrophobicContact CB-CB 4.47Å; E328-F331 PolarHBondContact O-N 2.88Å; E328-A332 PolarHBondContact O-N 3.16Å |
| 329 | P | 92.8 | Very high | 91.8 | Very high | 111 Ų | 111 | 53 Ų | 53 | 72% | 0.721 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -54.9 | -37 | -174.9 | -29.2 | 34.8 | 0 | 0 | 0 | 114.7 | A333 | P329-A333 WeakPolarHBondContact O-CB 3.43Å; P329-A333 PolarHBondContact O-N 3.21Å |
| 330 | S | 92.3 | Very high | 91.5 | Very high | 89 Ų | 89 | 54.1 Ų | 54.1 | 62% | 0.622 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -67 | -37.5 | 179.2 | 58.4 | 0 | 0 | 0 | 0 | 112.4 | E328 L334 | E328-S330 VanDerWaalsContact C-N 3.26Å; E328-S330 PolarHBondContact O-N 3.39Å; E328-S330 VanDerWaalsContact O-N 3.11Å; S330-L334 PolarHBondContact O-N 3.03Å |
| 331 | F | 92.7 | Very high | 90.6 | Very high | 12 Ų | 12 | 52 Ų | 52 | 5% | 0.053 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -81.4 | -38.2 | 179.4 | -161.1 | -98.9 | 0 | 0 | 0 | 111.9 | Y92 A95 V96 M99 K325 A326 E328 A333 L334 I335 | Y92-F331 HydrophobicContact CD2-CE1 4.23Å; Y92-F331 AromaticContact CD2-CZ 3.84Å; Y92-F331 HydrophobicContact CD2-CZ 3.84Å; Y92-F331 HydrophobicContact CE2-CE1 4.07Å; Y92-F331 HydrophobicContact CE2-CZ 4.01Å; A95-F331 HydrophobicContact CB-CD2 4.46Å; A95-F331 HydrophobicContact CB-CE2 3.44Å; A95-F331 VanDerWaalsContact CB-CE2 3.44Å; A95-F331 HydrophobicContact CB-CZ 4.07Å; V96-F331 HydrophobicContact CG2-CZ 4.15Å; M99-F331 HydrophobicContact CE-CE1 4.21Å; M99-F331 HydrophobicContact CE-CE2 4.47Å; M99-F331 HydrophobicContact CE-CZ 3.81Å; K325-F331 HydrophobicContact CG-CB 4.48Å; K325-F331 HydrophobicContact CG-CD1 4.33Å; K325-F331 HydrophobicContact CG-CD2 4.29Å; K325-F331 HydrophobicContact CG-CG 4.09Å; K325-F331 WeakPolarHBondContact O-CB 3.42Å; A326-F331 HydrophobicContact CB-CD1 4.34Å; E328-F331 HydrophobicContact CB-CB 4.47Å; E328-F331 PolarHBondContact O-N 2.88Å; F331-A333 VanDerWaalsContact C-N 3.31Å; F331-A333 PolarHBondContact O-N 3.25Å; F331-L334 HydrophobicContact CD2-CD2 4.11Å; F331-L334 HydrophobicContact CE2-CD2 3.96Å; F331-L334 WeakPolarHBondContact O-CA 3.47Å; F331-L334 WeakPolarHBondContact O-CB 3.41Å; F331-L334 PolarHBondContact O-N 3.47Å; F331-I335 HydrophobicContact CD1-CD1 3.59Å; F331-I335 HydrophobicContact CD1-CG1 4.01Å; F331-I335 HydrophobicContact CE1-CD1 3.7Å; F331-I335 HydrophobicContact CE1-CG1 3.95Å; F331-I335 WeakPolarHBondContact O-CG1 3.49Å; F331-I335 PolarHBondContact O-N 2.65Å |
| 332 | A | 92.4 | Very high | 89.2 | Confident | 40 Ų | 40 | 54.4 Ų | 54.4 | 33% | 0.331 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -55.6 | -46.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E328 L334 I335 E336 | E328-A332 PolarHBondContact O-N 3.16Å; A332-L334 VanDerWaalsContact C-N 3.29Å; A332-L334 PolarHBondContact O-N 3.11Å; A332-I335 WeakPolarHBondContact O-CB 3.46Å; A332-I335 PolarHBondContact O-N 3.46Å; A332-I335 VanDerWaalsContact O-N 3.17Å; A332-E336 PolarHBondContact O-N 3.26Å |
| 333 | A | 93.5 | Very high | 87 | Confident | 35 Ų | 35 | 61.2 Ų | 61.2 | 29% | 0.289 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.6 | -31.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P329 F331 K337 | P329-A333 WeakPolarHBondContact O-CB 3.43Å; P329-A333 PolarHBondContact O-N 3.21Å; F331-A333 VanDerWaalsContact C-N 3.31Å; F331-A333 PolarHBondContact O-N 3.25Å; A333-K337 WeakPolarHBondContact O-CB 3.47Å; A333-K337 VanDerWaalsContact O-CG 3.28Å; A333-K337 WeakPolarHBondContact O-CG 3.09Å; A333-K337 PolarHBondContact O-N 3.46Å; A333-K337 VanDerWaalsContact O-N 3.11Å |
| 334 | L | 94.2 | Very high | 84.6 | Confident | 31 Ų | 31 | 64.1 Ų | 64.1 | 16% | 0.162 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68 | -43.3 | 173.2 | 175.7 | 62.5 | 0 | 0 | 0 | 111.4 | Y88 N91 S330 F331 A332 K337 A338 | Y88-L334 HydrophobicContact CD1-CD1 4.31Å; N91-L334 HydrophobicContact CB-CD1 3.95Å; N91-L334 HydrophobicContact CB-CD2 4.22Å; S330-L334 PolarHBondContact O-N 3.03Å; F331-L334 HydrophobicContact CD2-CD2 4.11Å; F331-L334 HydrophobicContact CE2-CD2 3.96Å; F331-L334 WeakPolarHBondContact O-CA 3.47Å; F331-L334 WeakPolarHBondContact O-CB 3.41Å; F331-L334 PolarHBondContact O-N 3.47Å; A332-L334 VanDerWaalsContact C-N 3.29Å; A332-L334 PolarHBondContact O-N 3.11Å; L334-K337 PolarHBondContact O-N 2.89Å; L334-A338 WeakPolarHBondContact O-CB 3.41Å; L334-A338 PolarHBondContact O-N 3.36Å |
| 335 | I | 92.8 | Very high | 82.3 | Confident | 20 Ų | 20 | 68.3 Ų | 68.3 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60 | -47.4 | 177.6 | -66.6 | 162.2 | 0 | 0 | 0 | 110.4 | Y92 L231 A326 F331 A332 A338 Y339 | Y92-I335 HydrophobicContact CD2-CG1 3.86Å; Y92-I335 HydrophobicContact CE2-CD1 4.37Å; Y92-I335 HydrophobicContact CE2-CG1 3.62Å; L231-I335 HydrophobicContact CD1-CD1 3.79Å; L231-I335 HydrophobicContact CD1-CG2 4.49Å; A326-I335 HydrophobicContact CB-CD1 4.03Å; F331-I335 HydrophobicContact CD1-CD1 3.59Å; F331-I335 HydrophobicContact CD1-CG1 4.01Å; F331-I335 HydrophobicContact CE1-CD1 3.7Å; F331-I335 HydrophobicContact CE1-CG1 3.95Å; F331-I335 WeakPolarHBondContact O-CG1 3.49Å; F331-I335 PolarHBondContact O-N 2.65Å; A332-I335 WeakPolarHBondContact O-CB 3.46Å; A332-I335 PolarHBondContact O-N 3.46Å; A332-I335 VanDerWaalsContact O-N 3.17Å; I335-A338 PolarHBondContact O-N 3.13Å; I335-Y339 PolarHBondContact O-N 3.33Å |
| 336 | E | 91.8 | Very high | 79.6 | Confident | 103 Ų | 103 | 69.1 Ų | 69.1 | 48% | 0.481 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 178.9 | -175.4 | 176.3 | -143.1 | 0 | 0 | 111.5 | A332 A338 Y339 P340 | A332-E336 PolarHBondContact O-N 3.26Å; E336-A338 PolarHBondContact O-N 2.89Å; E336-Y339 CarbonylContact O-C 3.59Å; E336-Y339 VanDerWaalsContact O-C 3.24Å; E336-Y339 PolarHBondContact O-N 3.47Å; E336-P340 WeakPolarHBondContact O-CA 3.47Å |
| 337 | K | 92.8 | Very high | 77 | Confident | 113 Ų | 113 | 76.2 Ų | 76.2 | 49% | 0.491 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.6 | -34.6 | 175.8 | -71.1 | 175.8 | -176.8 | 178.8 | 0 | 113.3 | L85 Y88 A333 L334 | L85-K337 WeakPolarHBondContact CD2-O 3.3Å; Y88-K337 HydrophobicContact CD1-CB 3.81Å; Y88-K337 HydrophobicContact CD1-CD 4.15Å; Y88-K337 HydrophobicContact CD2-CB 4.26Å; Y88-K337 HydrophobicContact CE1-CB 4.16Å; Y88-K337 HydrophobicContact CE1-CD 3.75Å; Y88-K337 HydrophobicContact CG-CB 3.87Å; A333-K337 WeakPolarHBondContact O-CB 3.47Å; A333-K337 VanDerWaalsContact O-CG 3.28Å; A333-K337 WeakPolarHBondContact O-CG 3.09Å; A333-K337 PolarHBondContact O-N 3.46Å; A333-K337 VanDerWaalsContact O-N 3.11Å; L334-K337 PolarHBondContact O-N 2.89Å |
| 338 | A | 92.2 | Very high | 74.3 | Confident | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -74.8 | -34.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R89 L334 I335 E336 | R89-A338 HydrophobicContact CG-CB 4.07Å; R89-A338 WeakPolarHBondContact CG-O 3.42Å; R89-A338 PolarHBondContact NE-O 3.39Å; L334-A338 WeakPolarHBondContact O-CB 3.41Å; L334-A338 PolarHBondContact O-N 3.36Å; I335-A338 PolarHBondContact O-N 3.13Å; E336-A338 PolarHBondContact O-N 2.89Å |
| 339 | Y | 91 | Very high | 71.3 | Confident | 31 Ų | 31 | 81.5 Ų | 81.5 | 12% | 0.122 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -136.2 | 69.2 | -178.1 | -55.2 | -84.1 | 0 | 0 | 0 | 110.4 | T41 G42 K43 R89 Y92 Y93 I335 E336 | T41-Y339 WeakPolarHBondContact O-CE1 3.39Å; G42-Y339 PolarHBondContact O-OH 3Å; K43-Y339 HydrophobicContact CB-CE1 4.48Å; K43-Y339 HydrophobicContact CD-CD2 4.21Å; K43-Y339 HydrophobicContact CD-CG 4.23Å; K43-Y339 VanDerWaalsContact CE-CB 3.45Å; K43-Y339 VanDerWaalsContact CE-CG 3.41Å; K43-Y339 HydrophobicContact CG-CD1 3.74Å; K43-Y339 HydrophobicContact CG-CD2 3.72Å; K43-Y339 HydrophobicContact CG-CE1 3.65Å; K43-Y339 HydrophobicContact CG-CE2 3.66Å; K43-Y339 HydrophobicContact CG-CG 3.75Å; R89-Y339 HydrophobicContact CG-CE1 4.4Å; Y92-Y339 HydrophobicContact CD1-CD2 4.49Å; Y92-Y339 AromaticContact CD1-CE2 3.38Å; Y92-Y339 HydrophobicContact CD1-CE2 3.38Å; Y92-Y339 AromaticContact CD1-CZ 3.93Å; Y92-Y339 HydrophobicContact CE1-CD2 4.44Å; Y92-Y339 AromaticContact CE1-CE2 3.46Å; Y92-Y339 HydrophobicContact CE1-CE2 3.46Å; Y92-Y339 VanDerWaalsContact CE1-CE2 3.46Å; Y92-Y339 AromaticContact CE1-CZ 3.97Å; Y92-Y339 AromaticContact CG-CE2 3.99Å; Y92-Y339 HydrophobicContact CG-CE2 3.99Å; Y93-Y339 VanDerWaalsContact CE2-OH 3.23Å; Y93-Y339 WeakPolarHBondContact CE2-OH 3.29Å; I335-Y339 PolarHBondContact O-N 3.33Å; E336-Y339 CarbonylContact O-C 3.59Å; E336-Y339 VanDerWaalsContact O-C 3.24Å; E336-Y339 PolarHBondContact O-N 3.47Å |
| 340 | P | 84.9 | Confident | 68.4 | Low | 25 Ų | 25 | 80 Ų | 80 | 16% | 0.162 | 45% | 0.446 | C | S | . | . | trans | -60.6 | 143.1 | -178.8 | 24.6 | -34 | 0 | 0 | 0 | 109.9 | L85 E336 E344 R345 | L85-P340 HydrophobicContact CD1-CG 4.43Å; E336-P340 WeakPolarHBondContact O-CA 3.47Å; P340-E344 HydrophobicContact CB-CB 4.48Å; P340-R345 HydrophobicContact CB-CG 4.47Å; P340-R345 HydrophobicContact CG-CG 4.09Å | ||
| 341 | S | 74.6 | Confident | 65.6 | Low | 52 Ų | 52 | 83.1 Ų | 83.1 | 36% | 0.364 | 45% | 0.454 | S | S | . | . | trans | -58.4 | 151.3 | 176.9 | 68.5 | 0 | 0 | 0 | 0 | 109.7 | N343 E344 | S341-N343 PolarHBondContact O-N 3.08Å; S341-E344 PolarHBondContact N-OE2 3.03Å; S341-E344 PolarHBondContact O-N 3.21Å; S341-E344 WeakPolarHBondContact OG-CG 2.94Å; S341-E344 PolarHBondContact OG-OE2 3.11Å | ||
| 342 | P | 60 | Low | 63.1 | Low | 120 Ų | 120 | 87.9 Ų | 87.9 | 78% | 0.779 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -24.7 | -179.5 | -27.1 | 34.8 | 0 | 0 | 0 | 114.1 | ||
| 343 | N | 44.5 | Very low | 60.8 | Low | 143 Ų | 143 | 89.1 Ų | 89.1 | 77% | 0.765 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -17.9 | -179.6 | -75.2 | -2.9 | 0 | 0 | 0 | 114.5 | S341 S346 | S341-N343 PolarHBondContact O-N 3.08Å; N343-S346 PolarHBondContact O-OG 2.79Å |
| 344 | E | 42.2 | Very low | 59.4 | Low | 95 Ų | 95 | 94.3 Ų | 94.3 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -10.7 | -176.3 | -71.7 | 168.6 | 138.9 | 0 | 0 | 113.8 | P340 S341 S346 | P340-E344 HydrophobicContact CB-CB 4.48Å; S341-E344 PolarHBondContact N-OE2 3.03Å; S341-E344 PolarHBondContact O-N 3.21Å; S341-E344 WeakPolarHBondContact OG-CG 2.94Å; S341-E344 PolarHBondContact OG-OE2 3.11Å; E344-S346 PolarHBondContact O-N 2.69Å |
| 345 | R | 42.3 | Very low | 58.7 | Low | 158 Ų | 158 | 94.6 Ų | 94.6 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -10.1 | 176.6 | -68.1 | -174.9 | -176.3 | -173.4 | 0.7 | 113.3 | P340 | P340-R345 HydrophobicContact CB-CG 4.47Å; P340-R345 HydrophobicContact CG-CG 4.09Å |
| 346 | S | 34 | Very low | 58.6 | Low | 95 Ų | 95 | 94.3 Ų | 94.3 | 66% | 0.664 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -13.1 | -171.5 | 39.7 | 0 | 0 | 0 | 0 | 116.2 | N343 E344 | N343-S346 PolarHBondContact O-OG 2.79Å; E344-S346 PolarHBondContact O-N 2.69Å |
| 347 | E | 33 | Very low | 58.7 | Low | 167 Ų | 167 | 89.7 Ų | 89.7 | 78% | 0.78 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -109.6 | -14.2 | -163.1 | -74.6 | -165 | 162.4 | 0 | 0 | 118.4 | ||
| 348 | K | 32.8 | Very low | 58.7 | Low | 199 Ų | 199 | 84.6 Ų | 84.6 | 87% | 0.865 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -144.3 | 95.8 | 179.9 | -68.3 | -174.5 | -178.3 | 171.1 | 0 | 113.9 | ||
| 349 | G | 29.9 | Very low | 58.8 | Low | 72 Ų | 72 | 85.6 Ų | 85.6 | 74% | 0.742 | 47% | 0.474 | S | S | * | . | trans | 62.5 | 77.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 350 | S | 32.4 | Very low | 59.1 | Low | 79 Ų | 79 | 84.2 Ų | 84.2 | 55% | 0.552 | 47% | 0.468 | S | S | * | . | trans | -158.9 | 131.3 | 162.1 | -167.5 | 0 | 0 | 0 | 0 | 109.5 | E84 | E84-S350 VanDerWaalsContact OE1-CB 3.27Å; E84-S350 WeakPolarHBondContact OE1-CB 3.42Å; E84-S350 PolarHBondContact OE1-OG 2.71Å | ||
| 351 | I | 33.8 | Very low | 59.6 | Low | 155 Ų | 155 | 83.7 Ų | 83.7 | 80% | 0.795 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -73.3 | 131.9 | -172.4 | -70.5 | 161.2 | 0 | 0 | 0 | 109.4 | ||
| 352 | I | 40.7 | Very low | 60.8 | Low | 112 Ų | 112 | 81.3 Ų | 81.3 | 57% | 0.574 | 45% | 0.447 | S | S | * | . | trans | 86 | 98.5 | 173 | -55.1 | 150.2 | 0 | 0 | 0 | 115.2 | D354 | I352-D354 PolarHBondContact O-N 2.84Š| ||
| 353 | S | 44.4 | Very low | 62.6 | Low | 67 Ų | 67 | 78.1 Ų | 78.1 | 47% | 0.469 | 42% | 0.42 | S | S | . | . | trans | -54.4 | 132.4 | 150.3 | 52.3 | 0 | 0 | 0 | 0 | 109.3 | L355 | S353-L355 CarbonylContact O-C 3.59Å; S353-L355 VanDerWaalsContact O-C 3.29Å; S353-L355 PolarHBondContact O-N 3.22Å; S353-L355 PolarHBondContact OG-O 3.26Å | ||
| 354 | D | 63.1 | Low | 65.1 | Low | 143 Ų | 143 | 71.3 Ų | 71.3 | 77% | 0.765 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -49.8 | -14.8 | -179.4 | -94 | -15.7 | 0 | 0 | 0 | 115.3 | I352 | I352-D354 PolarHBondContact O-N 2.84Š|
| 355 | L | 80.1 | Confident | 67.8 | Low | 38 Ų | 38 | 66.8 Ų | 66.8 | 20% | 0.199 | 36% | 0.362 | C | S | . | . | trans | -121 | 130.9 | 164.1 | -87.2 | 89 | 0 | 0 | 0 | 110.5 | S353 S477 K480 I481 | S353-L355 CarbonylContact O-C 3.59Å; S353-L355 VanDerWaalsContact O-C 3.29Å; S353-L355 PolarHBondContact O-N 3.22Å; S353-L355 PolarHBondContact OG-O 3.26Å; L355-S477 VanDerWaalsContact CD2-CB 3.45Å; L355-S477 VanDerWaalsContact CD2-O 3.29Å; L355-S477 WeakPolarHBondContact CD2-O 3.38Å; L355-K480 HydrophobicContact CD2-CB 4.34Å; L355-I481 HydrophobicContact CB-CD1 4.4Å; L355-I481 HydrophobicContact CB-CG1 4.11Å; L355-I481 HydrophobicContact CD2-CD1 3.83Å; L355-I481 HydrophobicContact CD2-CG1 3.87Å; L355-I481 HydrophobicContact CG-CD1 4.37Å; L355-I481 HydrophobicContact CG-CG1 4.48Å | ||
| 356 | S | 89.6 | Confident | 70.4 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | trans | -138.3 | 171.5 | 168.4 | 71.5 | 0 | 0 | 0 | 0 | 109.4 | G358 N359 I481 | S356-G358 PolarHBondContact O-N 2.92Å; S356-G358 VanDerWaalsContact O-N 3.08Å; S356-G358 PolarHBondContact OG-N 3.45Å; S356-G358 VanDerWaalsContact OG-N 3.11Å; S356-N359 PolarHBondContact N-OD1 3.08Å; S356-N359 WeakPolarHBondContact O-CB 3.32Å; S356-N359 PolarHBondContact O-N 2.92Å; S356-N359 PolarHBondContact O-OD1 3.16Å; S356-I481 VanDerWaalsContact O-CD1 3.26Å; S356-I481 WeakPolarHBondContact O-CD1 3.37Å | ||
| 357 | V | 94.2 | Very high | 73.5 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -55 | -23.1 | 168.4 | 64 | 0 | 0 | 0 | 0 | 113.1 | N359 L360 L362 A460 I463 I481 L485 W495 L500 | V357-N359 PolarHBondContact O-N 3.11Å; V357-L360 HydrophobicContact CG2-CD1 4.2Å; V357-L360 WeakPolarHBondContact O-CB 3.43Å; V357-L360 PolarHBondContact O-N 3.45Å; V357-L362 HydrophobicContact CG2-CD1 4.39Å; V357-A460 HydrophobicContact CG1-CB 3.4Å; V357-A460 HydrophobicContact CG2-CB 4.46Å; V357-I463 HydrophobicContact CG1-CB 4.32Å; V357-I463 HydrophobicContact CG1-CD1 3.67Å; V357-I463 HydrophobicContact CG1-CG2 3.98Å; V357-I481 HydrophobicContact CB-CG2 4.24Å; V357-L485 HydrophobicContact CG2-CD2 4.08Å; V357-W495 HydrophobicContact CB-CB 3.81Å; V357-W495 HydrophobicContact CB-CD2 3.71Å; V357-W495 HydrophobicContact CB-CE3 4.28Å; V357-W495 HydrophobicContact CB-CG 3.51Å; V357-W495 HydrophobicContact CG1-CB 3.82Å; V357-W495 HydrophobicContact CG1-CD2 3.72Å; V357-W495 HydrophobicContact CG1-CE3 3.78Å; V357-W495 HydrophobicContact CG1-CG 3.78Å; V357-W495 HydrophobicContact CG2-CB 4.04Å; V357-W495 HydrophobicContact CG2-CG 4.16Å; V357-L500 HydrophobicContact CG2-CD2 4.27Å |
| 358 | G | 93.4 | Very high | 76.6 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 6% | 0.062 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -60.9 | -21.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S356 L360 P464 N466 | S356-G358 PolarHBondContact O-N 2.92Å; S356-G358 VanDerWaalsContact O-N 3.08Å; S356-G358 PolarHBondContact OG-N 3.45Å; S356-G358 VanDerWaalsContact OG-N 3.11Å; G358-L360 VanDerWaalsContact C-N 3.29Å; G358-P464 WeakPolarHBondContact CA-O 3.35Å; G358-N466 CarbonylContact O-C 3.24Å; G358-N466 PolarHBondContact O-N 3.36Å |
| 359 | N | 94.3 | Very high | 79.6 | Confident | 21 Ų | 21 | 50 Ų | 50 | 11% | 0.112 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -78 | -10.3 | 175.6 | -64.4 | 91.3 | 0 | 0 | 0 | 113.4 | S356 V357 N417 P467 D468 I481 | S356-N359 PolarHBondContact N-OD1 3.08Å; S356-N359 WeakPolarHBondContact O-CB 3.32Å; S356-N359 PolarHBondContact O-N 2.92Å; S356-N359 PolarHBondContact O-OD1 3.16Å; V357-N359 PolarHBondContact O-N 3.11Å; N359-N417 PolarHBondContact O-ND2 3.18Å; N359-P467 WeakPolarHBondContact O-CA 3.26Å; N359-D468 PolarHBondContact ND2-OD1 2.9Å; N359-D468 PolarHBondContact O-N 3.03Å; N359-I481 HydrophobicContact CB-CD1 4.02Å |
| 360 | L | 96.4 | Very high | 82.8 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -86.7 | 135.3 | 178.2 | -55.7 | -175.3 | 0 | 0 | 0 | 110.8 | V357 G358 L362 L415 L471 W478 I481 L485 | V357-L360 HydrophobicContact CG2-CD1 4.2Å; V357-L360 WeakPolarHBondContact O-CB 3.43Å; V357-L360 PolarHBondContact O-N 3.45Å; G358-L360 VanDerWaalsContact C-N 3.29Å; L360-L362 HydrophobicContact CB-CD1 4.37Å; L360-L362 HydrophobicContact CB-CD2 4.12Å; L360-L362 HydrophobicContact CB-CG 3.81Å; L360-L362 HydrophobicContact CD1-CD1 4.23Å; L360-L362 HydrophobicContact CD1-CD2 4.28Å; L360-L362 HydrophobicContact CD1-CG 4.34Å; L360-L362 PolarHBondContact O-N 2.95Å; L360-L415 HydrophobicContact CB-CD1 3.88Å; L360-L415 HydrophobicContact CD2-CD1 4.03Å; L360-L415 HydrophobicContact CG-CD1 4.36Å; L360-L471 HydrophobicContact CD2-CD1 3.62Å; L360-L471 HydrophobicContact CD2-CD2 4.1Å; L360-L471 HydrophobicContact CD2-CG 4.5Å; L360-W478 HydrophobicContact CD1-CE3 4.19Å; L360-W478 HydrophobicContact CD1-CZ3 3.69Å; L360-W478 HydrophobicContact CD2-CE3 3.9Å; L360-W478 HydrophobicContact CD2-CZ3 4.23Å; L360-I481 HydrophobicContact CD1-CG2 3.64Å; L360-I481 HydrophobicContact CD2-CB 4.42Å; L360-I481 HydrophobicContact CD2-CD1 3.64Å; L360-I481 HydrophobicContact CD2-CG2 4.21Å; L360-I481 HydrophobicContact CG-CD1 4.1Å; L360-I481 HydrophobicContact CG-CG2 3.91Å; L360-L485 HydrophobicContact CD1-CD1 3.92Å |
| 361 | D | 97 | Very high | 85.9 | Confident | 14 Ų | 14 | 49.9 Ų | 49.9 | 8% | 0.075 | 25% | 0.253 | C | S | . | . | trans | -87.8 | 84.7 | 166.8 | -170.4 | 12.1 | 0 | 0 | 0 | 109 | R363 C416 N417 R465 P467 | D361-R363 IonicContact OD1-CZ 2.78Å; D361-R363 IonicContact OD1-NE 2.92Å; D361-R363 PolarHBondContact OD1-NE 2.9Å; D361-R363 IonicContact OD1-NH2 3.41Å; D361-R363 IonicContact OD2-CZ 3.89Å; D361-R363 IonicContact OD2-NE 3.41Å; D361-R363 PolarHBondContact OD2-NE 3.49Å; D361-R363 IonicContact OD2-NH2 2.7Å; D361-R363 PolarHBondContact OD2-NH2 3.3Å; D361-C416 HydrophobicContact CB-CB 4.14Å; D361-C416 WeakPolarHBondContact O-CB 3.39Å; D361-C416 PolarHBondContact O-N 3.01Å; D361-N417 HydrophobicContact CB-CB 3.77Å; D361-N417 VanDerWaalsContact N-CG 3.31Å; D361-N417 PolarHBondContact N-ND2 3.22Å; D361-N417 PolarHBondContact N-OD1 3.16Å; D361-N417 VanDerWaalsContact N-OD1 3.1Å; D361-R465 IonicContact OD1-NH2 3.9Å; D361-R465 PolarHBondContact OD1-NH2 3.3Å; D361-P467 HydrophobicContact CB-CB 3.83Å | ||
| 362 | L | 97.9 | Very high | 88.9 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 126.9 | 176.1 | -59.3 | -179 | 0 | 0 | 0 | 110.3 | V357 L360 V413 V414 L415 L433 V458 | V357-L362 HydrophobicContact CG2-CD1 4.39Å; L360-L362 HydrophobicContact CB-CD1 4.37Å; L360-L362 HydrophobicContact CB-CD2 4.12Å; L360-L362 HydrophobicContact CB-CG 3.81Å; L360-L362 HydrophobicContact CD1-CD1 4.23Å; L360-L362 HydrophobicContact CD1-CD2 4.28Å; L360-L362 HydrophobicContact CD1-CG 4.34Å; L360-L362 PolarHBondContact O-N 2.95Å; L362-V413 HydrophobicContact CB-CG1 4.48Å; L362-V414 WeakPolarHBondContact CA-O 3.32Å; L362-L415 HydrophobicContact CD2-CB 3.95Å; L362-L415 HydrophobicContact CD2-CD1 3.7Å; L362-L415 HydrophobicContact CD2-CG 4.41Å; L362-L433 HydrophobicContact CD2-CD1 3.64Å; L362-V458 HydrophobicContact CB-CB 3.73Å; L362-V458 HydrophobicContact CB-CG1 4.27Å; L362-V458 HydrophobicContact CD1-CG1 4.35Å; L362-V458 PolarHBondContact O-N 3.41Å |
| 363 | R | 98.1 | Very high | 91.5 | Very high | 53 Ų | 53 | 43.9 Ų | 43.9 | 20% | 0.2 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 158.7 | 178.7 | -55.2 | -170.2 | -164.6 | 173.1 | 6.8 | 111.7 | D361 E388 V414 D456 | D361-R363 IonicContact OD1-CZ 2.78Å; D361-R363 IonicContact OD1-NE 2.92Å; D361-R363 PolarHBondContact OD1-NE 2.9Å; D361-R363 IonicContact OD1-NH2 3.41Å; D361-R363 IonicContact OD2-CZ 3.89Å; D361-R363 IonicContact OD2-NE 3.41Å; D361-R363 PolarHBondContact OD2-NE 3.49Å; D361-R363 IonicContact OD2-NH2 2.7Å; D361-R363 PolarHBondContact OD2-NH2 3.3Å; R363-E388 IonicContact CZ-OE1 2.81Å; R363-E388 IonicContact NH1-OE1 2.71Å; R363-E388 PolarHBondContact NH1-OE1 3.48Å; R363-E388 IonicContact NH2-OE1 3.19Å; R363-V414 PolarHBondContact N-O 2.71Å; R363-V414 PolarHBondContact O-N 3.08Å; R363-D456 CarbonylContact C-O 3.58Å; R363-D456 VanDerWaalsContact CA-O 3.26Å; R363-D456 WeakPolarHBondContact CA-O 3.24Å |
| 364 | I | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 129.5 | 166.9 | -55.9 | -46.8 | 0 | 0 | 0 | 109.1 | M411 V412 V413 P448 G455 D456 V458 T502 L507 | I364-M411 HydrophobicContact CG2-CB 4.48Å; I364-M411 HydrophobicContact CG2-CE 3.39Å; I364-V412 CarbonylContact C-O 3.06Å; I364-V412 WeakPolarHBondContact CA-O 3.47Å; I364-V413 HydrophobicContact CD1-CG2 3.88Å; I364-P448 HydrophobicContact CD1-CB 3.69Å; I364-P448 HydrophobicContact CD1-CG 4.4Å; I364-P448 HydrophobicContact CG1-CB 4.09Å; I364-P448 HydrophobicContact CG2-CB 4.21Å; I364-P448 HydrophobicContact CG2-CG 4.04Å; I364-G455 PolarHBondContact O-N 3.06Å; I364-D456 HydrophobicContact CB-CB 4.09Å; I364-D456 HydrophobicContact CG1-CB 3.79Å; I364-D456 PolarHBondContact N-O 3.13Å; I364-V458 HydrophobicContact CD1-CG2 3.44Å; I364-V458 VanDerWaalsContact CD1-CG2 3.44Å; I364-V458 HydrophobicContact CG1-CG2 4.18Å; I364-T502 HydrophobicContact CD1-CG2 4.06Å; I364-T502 HydrophobicContact CG1-CG2 3.9Å; I364-L507 HydrophobicContact CD1-CD2 4.46Å |
| 365 | G | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 154 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D385 M411 V412 | G365-D385 CarbonylContact C-O 3.57Å; G365-D385 WeakPolarHBondContact CA-O 3.35Å; G365-M411 CarbonylContact O-C 3.41Å; G365-M411 VanDerWaalsContact O-CA 3.32Å; G365-M411 WeakPolarHBondContact O-CA 3.2Å; G365-V412 PolarHBondContact N-O 3.1Å; G365-V412 PolarHBondContact O-N 2.83Å |
| 366 | K | 98.2 | Very high | 96 | Very high | 84 Ų | 84 | 42.9 Ų | 42.9 | 37% | 0.365 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 124.7 | 170.8 | -173.5 | 176.2 | -177.7 | 179 | 0 | 110.2 | L368 V384 D385 M411 P454 | K366-L368 HydrophobicContact CD-CD2 4.3Å; K366-L368 HydrophobicContact CG-CD2 4.27Å; K366-L368 PolarHBondContact O-N 3.31Å; K366-V384 WeakPolarHBondContact O-CA 3.45Å; K366-D385 PolarHBondContact N-O 3.11Å; K366-D385 PolarHBondContact O-N 2.88Å; K366-M411 HydrophobicContact CB-SD 3.61Å; K366-M411 HydrophobicContact CD-SD 4.07Å; K366-M411 HydrophobicContact CG-SD 3.81Å; K366-P454 HydrophobicContact CB-CG 3.82Å |
| 367 | I | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 114 | 175.6 | -58.4 | 174 | 0 | 0 | 0 | 108.2 | I370 E382 V384 L407 G409 R410 V412 I432 | I367-I370 HydrophobicContact CG2-CB 4.25Å; I367-E382 HydrophobicContact CG2-CB 4.35Å; I367-E382 HydrophobicContact CG2-CG 4.4Å; I367-V384 HydrophobicContact CG1-CG2 4.24Å; I367-L407 WeakPolarHBondContact CB-O 3.42Å; I367-L407 HydrophobicContact CD1-CB 4.12Å; I367-L407 HydrophobicContact CD1-CD2 4.3Å; I367-G409 VanDerWaalsContact O-CA 3.24Å; I367-G409 WeakPolarHBondContact O-CA 3.45Å; I367-G409 PolarHBondContact O-N 2.86Å; I367-R410 PolarHBondContact N-O 2.86Å; I367-R410 VanDerWaalsContact N-O 3.09Å; I367-V412 HydrophobicContact CD1-CG1 4.11Å; I367-V412 HydrophobicContact CG1-CG2 4.28Å; I367-I432 HydrophobicContact CD1-CD1 4.24Å |
| 368 | L | 97.3 | Very high | 96.3 | Very high | 57 Ų | 57 | 52.1 Ų | 52.1 | 30% | 0.298 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -47.6 | -178.1 | -59.5 | -174.9 | 0 | 0 | 0 | 111.9 | K366 D383 D385 P391 | K366-L368 HydrophobicContact CD-CD2 4.3Å; K366-L368 HydrophobicContact CG-CD2 4.27Å; K366-L368 PolarHBondContact O-N 3.31Å; L368-D383 PolarHBondContact N-O 2.76Å; L368-D385 HydrophobicContact CD1-CB 3.97Å; L368-D385 HydrophobicContact CD2-CB 4.23Å; L368-D385 HydrophobicContact CG-CB 4.08Å; L368-P391 HydrophobicContact CD1-CB 4.25Å; L368-P391 HydrophobicContact CD1-CG 3.69Å |
| 369 | H | 96.5 | Very high | 96.4 | Very high | 125 Ų | 125 | 53 Ų | 53 | 58% | 0.579 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 145.5 | 178.6 | -56.7 | 101.5 | 0 | 0 | 0 | 109.2 | E382 D383 | H369-E382 CarbonylContact O-C 3.59Å; H369-E382 WeakPolarHBondContact O-CA 3.34Å; H369-D383 HydrophobicContact CB-CB 4.31Å; H369-D383 IonicContact ND1-OD2 3.93Å; H369-D383 PolarHBondContact O-N 3.11Å |
| 370 | I | 97.4 | Very high | 96.6 | Very high | 20 Ų | 20 | 52.5 Ų | 52.5 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 136.5 | 179.5 | 177.9 | 164.5 | 0 | 0 | 0 | 109 | I367 Y380 V381 E382 I404 L407 C408 | I367-I370 HydrophobicContact CG2-CB 4.25Å; I370-Y380 HydrophobicContact CD1-CD1 3.93Å; I370-Y380 HydrophobicContact CD1-CD2 3.66Å; I370-Y380 HydrophobicContact CD1-CE1 4.34Å; I370-Y380 HydrophobicContact CD1-CE2 4.07Å; I370-Y380 HydrophobicContact CD1-CG 3.59Å; I370-Y380 HydrophobicContact CG1-CD1 3.83Å; I370-Y380 HydrophobicContact CG1-CD2 4.44Å; I370-Y380 HydrophobicContact CG1-CE1 4.4Å; I370-Y380 HydrophobicContact CG1-CG 3.87Å; I370-V381 WeakPolarHBondContact CA-O 3.29Å; I370-E382 HydrophobicContact CB-CG 4.22Å; I370-E382 HydrophobicContact CD1-CG 3.84Å; I370-E382 HydrophobicContact CG1-CG 3.91Å; I370-I404 HydrophobicContact CG1-CG1 4.25Å; I370-I404 HydrophobicContact CG2-CB 4.23Å; I370-I404 HydrophobicContact CG2-CG1 4.23Å; I370-I404 HydrophobicContact CG2-CG2 3.69Å; I370-L407 HydrophobicContact CD1-CB 3.86Å; I370-L407 HydrophobicContact CD1-CD1 3.49Å; I370-L407 VanDerWaalsContact CD1-CD1 3.49Å; I370-L407 HydrophobicContact CD1-CG 4.32Å; I370-C408 HydrophobicContact CG2-CB 4.21Å |
| 371 | K | 96.8 | Very high | 96.7 | Very high | 128 Ų | 128 | 52.6 Ų | 52.6 | 56% | 0.557 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 156.7 | 174.7 | 63.4 | -175.4 | 176.7 | -171.8 | 0 | 110 | Y380 V381 | K371-Y380 CarbonylContact O-C 3.58Å; K371-Y380 WeakPolarHBondContact O-CA 3.1Å; K371-V381 HydrophobicContact CG-CB 3.93Å; K371-V381 PolarHBondContact N-O 3.35Å; K371-V381 PolarHBondContact O-N 3.2Å |
| 372 | K | 97 | Very high | 96.7 | Very high | 135 Ų | 135 | 52 Ų | 52 | 59% | 0.587 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 141.9 | 170.6 | -69.8 | -172.5 | 176.3 | -175.4 | 0 | 110.2 | Y380 | K372-Y380 HydrophobicContact CG-CD1 4.32Å; K372-Y380 HydrophobicContact CG-CE1 3.94Å |
| 373 | H | 96.4 | Very high | 96.7 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 3% | 0.032 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 135.3 | 174.8 | -173.1 | -71.4 | 0 | 0 | 0 | 110.1 | D375 A376 L379 V381 L423 K424 V426 | H373-D375 VanDerWaalsContact C-N 3.29Å; H373-D375 PolarHBondContact ND1-N 3.11Å; H373-D375 PolarHBondContact O-N 3.2Å; H373-A376 HydrophobicContact CB-CB 4.14Å; H373-A376 PolarHBondContact ND1-N 3.37Å; H373-L379 HydrophobicContact CB-CB 3.66Å; H373-L379 VanDerWaalsContact CB-O 3.28Å; H373-L379 WeakPolarHBondContact CB-O 3.46Å; H373-L379 PolarHBondContact N-O 3.07Å; H373-V381 HydrophobicContact CB-CG2 4.11Å; H373-L423 PolarHBondContact NE2-O 3.01Å; H373-L423 VanDerWaalsContact NE2-O 3.17Å; H373-K424 PolarHBondContact CE1-O 2.88Å; H373-K424 VanDerWaalsContact CE1-O 3.32Å; H373-V426 WeakPolarHBondContact NE2-CB 3.48Å; H373-V426 WeakPolarHBondContact NE2-CG2 3.46Å |
| 374 | P | 94.4 | Very high | 96.7 | Very high | 95 Ų | 95 | 52.2 Ų | 52.2 | 62% | 0.617 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -37.7 | -174.4 | 22.8 | -34 | 0 | 0 | 0 | 113.2 | V426 | P374-V426 HydrophobicContact CG-CG2 4.42Š|
| 375 | D | 93.9 | Very high | 96.7 | Very high | 121 Ų | 121 | 54.2 Ų | 54.2 | 65% | 0.647 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | 16.6 | -174.2 | -51.2 | -55.3 | 0 | 0 | 0 | 114 | H373 | H373-D375 VanDerWaalsContact C-N 3.29Å; H373-D375 PolarHBondContact ND1-N 3.11Å; H373-D375 PolarHBondContact O-N 3.2Å |
| 376 | A | 93.9 | Very high | 96.7 | Very high | 11 Ų | 11 | 54.2 Ų | 54.2 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 106.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | H373 S378 L379 K424 | H373-A376 HydrophobicContact CB-CB 4.14Å; H373-A376 PolarHBondContact ND1-N 3.37Å; A376-S378 PolarHBondContact O-N 2.92Å; A376-S378 VanDerWaalsContact O-N 3.08Å; A376-L379 HydrophobicContact CB-CB 4.05Å; A376-L379 HydrophobicContact CB-CD1 3.74Å; A376-L379 HydrophobicContact CB-CG 3.89Å; A376-L379 PolarHBondContact O-N 2.97Å; A376-L379 VanDerWaalsContact O-N 3.07Å; A376-K424 HydrophobicContact CB-CB 4.26Å; A376-K424 HydrophobicContact CB-CG 4.01Å |
| 377 | D | 94 | Very high | 96.5 | Very high | 154 Ų | 154 | 52.5 Ų | 52.5 | 82% | 0.824 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | -17.9 | -176.3 | -62.3 | -32.9 | 0 | 0 | 0 | 115.2 | V399 | D377-V399 WeakPolarHBondContact O-CG1 3.23Å |
| 378 | S | 94.4 | Very high | 96.3 | Very high | 60 Ų | 60 | 55.9 Ų | 55.9 | 42% | 0.42 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -2.9 | 179.3 | 54 | 0 | 0 | 0 | 0 | 113.7 | A376 G397 V399 | A376-S378 PolarHBondContact O-N 2.92Å; A376-S378 VanDerWaalsContact O-N 3.08Å; S378-G397 CarbonylContact O-C 3.56Å; S378-G397 WeakPolarHBondContact O-CA 3.4Å; S378-V399 WeakPolarHBondContact O-CG2 3.1Å |
| 379 | L | 97 | Very high | 96 | Very high | 25 Ų | 25 | 59.8 Ų | 59.8 | 13% | 0.131 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 142.1 | -173.2 | -58.5 | -179.2 | 0 | 0 | 0 | 112.7 | H373 A376 I395 S396 V399 L423 K424 | H373-L379 HydrophobicContact CB-CB 3.66Å; H373-L379 VanDerWaalsContact CB-O 3.28Å; H373-L379 WeakPolarHBondContact CB-O 3.46Å; H373-L379 PolarHBondContact N-O 3.07Å; A376-L379 HydrophobicContact CB-CB 4.05Å; A376-L379 HydrophobicContact CB-CD1 3.74Å; A376-L379 HydrophobicContact CB-CG 3.89Å; A376-L379 PolarHBondContact O-N 2.97Å; A376-L379 VanDerWaalsContact O-N 3.07Å; L379-I395 HydrophobicContact CB-CG2 4.04Å; L379-I395 HydrophobicContact CD1-CG2 3.87Å; L379-I395 HydrophobicContact CD2-CG2 4.44Å; L379-I395 HydrophobicContact CG-CG2 4.34Å; L379-S396 CarbonylContact C-O 3.52Å; L379-S396 VanDerWaalsContact CA-O 3.23Å; L379-S396 WeakPolarHBondContact CA-O 3.39Å; L379-S396 WeakPolarHBondContact CD2-O 3.4Å; L379-V399 VanDerWaalsContact C-CG2 3.41Å; L379-L423 HydrophobicContact CD1-CB 4.3Å; L379-K424 HydrophobicContact CD1-CG 4.34Å |
| 380 | Y | 98 | Very high | 95.9 | Very high | 9 Ų | 9 | 60.5 Ų | 60.5 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 156.9 | 163.8 | -74.6 | -52.8 | 0 | 0 | 0 | 110.9 | I370 K371 K372 E382 I395 S396 L398 V399 Y402 I404 L407 | I370-Y380 HydrophobicContact CD1-CD1 3.93Å; I370-Y380 HydrophobicContact CD1-CD2 3.66Å; I370-Y380 HydrophobicContact CD1-CE1 4.34Å; I370-Y380 HydrophobicContact CD1-CE2 4.07Å; I370-Y380 HydrophobicContact CD1-CG 3.59Å; I370-Y380 HydrophobicContact CG1-CD1 3.83Å; I370-Y380 HydrophobicContact CG1-CD2 4.44Å; I370-Y380 HydrophobicContact CG1-CE1 4.4Å; I370-Y380 HydrophobicContact CG1-CG 3.87Å; K371-Y380 CarbonylContact O-C 3.58Å; K371-Y380 WeakPolarHBondContact O-CA 3.1Å; K372-Y380 HydrophobicContact CG-CD1 4.32Å; K372-Y380 HydrophobicContact CG-CE1 3.94Å; Y380-E382 VanDerWaalsContact CB-OE1 3.26Å; Y380-E382 WeakPolarHBondContact CB-OE1 3.22Å; Y380-I395 WeakPolarHBondContact O-CA 3.33Å; Y380-I395 WeakPolarHBondContact O-CG2 3.41Å; Y380-S396 PolarHBondContact N-O 3.31Å; Y380-S396 PolarHBondContact O-N 3.02Å; Y380-L398 HydrophobicContact CD2-CB 4.11Å; Y380-L398 HydrophobicContact CE2-CB 4.46Å; Y380-V399 HydrophobicContact CD1-CG2 3.8Å; Y380-V399 HydrophobicContact CD2-CB 4.42Å; Y380-V399 HydrophobicContact CD2-CG2 3.65Å; Y380-V399 HydrophobicContact CE1-CG2 3.8Å; Y380-V399 HydrophobicContact CE2-CB 4.03Å; Y380-V399 HydrophobicContact CE2-CG2 3.67Å; Y380-V399 HydrophobicContact CG-CG2 3.71Å; Y380-Y402 PolarHBondContact OH-O 3.25Å; Y380-Y402 VanDerWaalsContact OH-O 3.13Å; Y380-I404 HydrophobicContact CD1-CG1 4.44Å; Y380-I404 HydrophobicContact CE1-CD1 4.08Å; Y380-I404 HydrophobicContact CE1-CG1 3.64Å; Y380-L407 HydrophobicContact CD2-CD1 3.96Å; Y380-L407 HydrophobicContact CE2-CD1 3.91Å |
| 381 | V | 97.7 | Very high | 95.8 | Very high | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.03 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 115.4 | 165.4 | -177.9 | 0 | 0 | 0 | 0 | 107.2 | I370 K371 H373 Q393 I395 V426 | I370-V381 WeakPolarHBondContact CA-O 3.29Å; K371-V381 HydrophobicContact CG-CB 3.93Å; K371-V381 PolarHBondContact N-O 3.35Å; K371-V381 PolarHBondContact O-N 3.2Å; H373-V381 HydrophobicContact CB-CG2 4.11Å; V381-Q393 HydrophobicContact CG1-CG 3.71Å; V381-I395 HydrophobicContact CB-CD1 3.86Å; V381-I395 HydrophobicContact CG1-CD1 3.74Å; V381-I395 HydrophobicContact CG2-CD1 3.51Å; V381-V426 HydrophobicContact CG2-CG1 4.49Å |
| 382 | E | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133 | -174.6 | -57.8 | 100.5 | 148.2 | 0 | 0 | 111.9 | I367 H369 I370 Y380 V384 Q393 I394 S396 | I367-E382 HydrophobicContact CG2-CB 4.35Å; I367-E382 HydrophobicContact CG2-CG 4.4Å; H369-E382 CarbonylContact O-C 3.59Å; H369-E382 WeakPolarHBondContact O-CA 3.34Å; I370-E382 HydrophobicContact CB-CG 4.22Å; I370-E382 HydrophobicContact CD1-CG 3.84Å; I370-E382 HydrophobicContact CG1-CG 3.91Å; Y380-E382 VanDerWaalsContact CB-OE1 3.26Å; Y380-E382 WeakPolarHBondContact CB-OE1 3.22Å; E382-V384 HydrophobicContact CB-CG2 3.85Å; E382-Q393 CarbonylContact O-C 3.56Å; E382-Q393 WeakPolarHBondContact O-CA 3.38Å; E382-I394 PolarHBondContact N-O 2.82Å; E382-I394 PolarHBondContact O-N 3.06Å; E382-S396 WeakPolarHBondContact OE1-CB 3.26Å; E382-S396 PolarHBondContact OE1-OG 2.8Å; E382-S396 PolarHBondContact OE2-N 2.85Å |
| 383 | D | 97.7 | Very high | 95.9 | Very high | 60 Ų | 60 | 55 Ų | 55 | 32% | 0.321 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 113.5 | 164.1 | -65.9 | -37 | 0 | 0 | 0 | 108.3 | L368 H369 P391 | L368-D383 PolarHBondContact N-O 2.76Å; H369-D383 HydrophobicContact CB-CB 4.31Å; H369-D383 IonicContact ND1-OD2 3.93Å; H369-D383 PolarHBondContact O-N 3.11Å; D383-P391 HydrophobicContact CB-CB 4.27Å |
| 384 | V | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 118.1 | -174.1 | -170 | 0 | 0 | 0 | 0 | 110.1 | K366 I367 E382 V386 P391 R392 I394 V412 V414 I432 | K366-V384 WeakPolarHBondContact O-CA 3.45Å; I367-V384 HydrophobicContact CG1-CG2 4.24Å; E382-V384 HydrophobicContact CB-CG2 3.85Å; V384-V386 HydrophobicContact CG1-CG1 4.1Å; V384-V386 PolarHBondContact O-N 3.16Å; V384-P391 WeakPolarHBondContact O-CA 3.1Å; V384-R392 PolarHBondContact N-O 3.26Å; V384-R392 PolarHBondContact O-N 2.98Å; V384-I394 HydrophobicContact CB-CD1 4.04Å; V384-I394 HydrophobicContact CG2-CB 4.26Å; V384-I394 HydrophobicContact CG2-CD1 3.94Å; V384-I394 HydrophobicContact CG2-CG1 4.23Å; V384-V412 HydrophobicContact CG1-CG2 4.43Å; V384-V414 HydrophobicContact CG1-CG2 4Å; V384-I432 HydrophobicContact CG2-CD1 4.45Å |
| 385 | D | 98.3 | Very high | 96.1 | Very high | 43 Ų | 43 | 50.6 Ų | 50.6 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 120.3 | 171.2 | 177.8 | 8.1 | 0 | 0 | 0 | 109.5 | G365 K366 L368 G387 P454 | G365-D385 CarbonylContact C-O 3.57Å; G365-D385 WeakPolarHBondContact CA-O 3.35Å; K366-D385 PolarHBondContact N-O 3.11Å; K366-D385 PolarHBondContact O-N 2.88Å; L368-D385 HydrophobicContact CD1-CB 3.97Å; L368-D385 HydrophobicContact CD2-CB 4.23Å; L368-D385 HydrophobicContact CG-CB 4.08Å; D385-G387 PolarHBondContact OD1-N 3.29Å; D385-P454 HydrophobicContact CB-CB 4.28Å; D385-P454 WeakPolarHBondContact OD2-CB 3.26Å |
| 386 | V | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -120.1 | 26.1 | 178.7 | -63.4 | 0 | 0 | 0 | 0 | 111.9 | V384 E388 R392 V414 G455 | V384-V386 HydrophobicContact CG1-CG1 4.1Å; V384-V386 PolarHBondContact O-N 3.16Å; V386-E388 HydrophobicContact CG2-CB 4.39Å; V386-E388 HydrophobicContact CG2-CG 4.01Å; V386-R392 HydrophobicContact CG2-CG 4.04Å; V386-V414 HydrophobicContact CG1-CB 4.09Å; V386-V414 HydrophobicContact CG1-CG1 4.17Å; V386-V414 HydrophobicContact CG1-CG2 4Å; V386-G455 WeakPolarHBondContact O-CA 3.15Å | ||
| 387 | G | 94.5 | Very high | 96.2 | Very high | 48 Ų | 48 | 47.1 Ų | 47.1 | 50% | 0.495 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 76.3 | 21.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D385 | D385-G387 PolarHBondContact OD1-N 3.29Š|
| 388 | E | 94 | Very high | 96.3 | Very high | 71 Ų | 71 | 40 Ų | 40 | 33% | 0.332 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -99.1 | 169.9 | 175.7 | -72.1 | 176.8 | 177.7 | 0 | 0 | 111 | R363 V386 Q390 R392 | R363-E388 IonicContact CZ-OE1 2.81Å; R363-E388 IonicContact NH1-OE1 2.71Å; R363-E388 PolarHBondContact NH1-OE1 3.48Å; R363-E388 IonicContact NH2-OE1 3.19Å; V386-E388 HydrophobicContact CG2-CB 4.39Å; V386-E388 HydrophobicContact CG2-CG 4.01Å; E388-Q390 PolarHBondContact O-N 3.11Å; E388-R392 IonicContact OE1-CZ 2.74Å; E388-R392 IonicContact OE1-NE 2.99Å; E388-R392 PolarHBondContact OE1-NE 2.85Å; E388-R392 IonicContact OE1-NH2 3.2Å; E388-R392 PolarHBondContact OE1-NH2 2.86Å; E388-R392 IonicContact OE2-CZ 2.81Å; E388-R392 IonicContact OE2-NE 3.77Å; E388-R392 PolarHBondContact OE2-NE 3.39Å; E388-R392 IonicContact OE2-NH2 3.31Å; E388-R392 PolarHBondContact OE2-NH2 3.25Å |
| 389 | T | 91.1 | Very high | 96.3 | Very high | 138 Ų | 138 | 38.5 Ų | 38.5 | 85% | 0.847 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -64.1 | -24.5 | -179.6 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 390 | Q | 93 | Very high | 96.1 | Very high | 141 Ų | 141 | 44 Ų | 44 | 66% | 0.659 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -135.7 | 142.9 | 175.5 | -66.6 | -64.7 | -60.5 | 0 | 0 | 109.3 | E388 | E388-Q390 PolarHBondContact O-N 3.11Š|
| 391 | P | 96 | Very high | 95.8 | Very high | 55 Ų | 55 | 46.1 Ų | 46.1 | 36% | 0.357 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 148.8 | 171.2 | -22.3 | 33.4 | 0 | 0 | 0 | 111.6 | L368 D383 V384 | L368-P391 HydrophobicContact CD1-CB 4.25Å; L368-P391 HydrophobicContact CD1-CG 3.69Å; D383-P391 HydrophobicContact CB-CB 4.27Å; V384-P391 WeakPolarHBondContact O-CA 3.1Å |
| 392 | R | 97.3 | Very high | 95.7 | Very high | 46 Ų | 46 | 47.6 Ų | 47.6 | 17% | 0.174 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 134.1 | 173.5 | -67 | -174.2 | 174.9 | -150.8 | 10.1 | 110.1 | V384 V386 E388 I394 C416 S429 | V384-R392 PolarHBondContact N-O 3.26Å; V384-R392 PolarHBondContact O-N 2.98Å; V386-R392 HydrophobicContact CG2-CG 4.04Å; E388-R392 IonicContact OE1-CZ 2.74Å; E388-R392 IonicContact OE1-NE 2.99Å; E388-R392 PolarHBondContact OE1-NE 2.85Å; E388-R392 IonicContact OE1-NH2 3.2Å; E388-R392 PolarHBondContact OE1-NH2 2.86Å; E388-R392 IonicContact OE2-CZ 2.81Å; E388-R392 IonicContact OE2-NE 3.77Å; E388-R392 PolarHBondContact OE2-NE 3.39Å; E388-R392 IonicContact OE2-NH2 3.31Å; E388-R392 PolarHBondContact OE2-NH2 3.25Å; R392-I394 HydrophobicContact CB-CG1 4.39Å; R392-I394 PolarHBondContact O-N 2.84Å; R392-C416 PolarHBondContact NH1-O 2.85Å; R392-S429 PolarHBondContact NH1-O 2.89Å |
| 393 | Q | 98 | Very high | 95.6 | Very high | 65 Ų | 65 | 49.5 Ų | 49.5 | 30% | 0.304 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 120.4 | 164.4 | -170.8 | -179.6 | -103.1 | 0 | 0 | 109.4 | V381 E382 I395 Q427 S429 | V381-Q393 HydrophobicContact CG1-CG 3.71Å; E382-Q393 CarbonylContact O-C 3.56Å; E382-Q393 WeakPolarHBondContact O-CA 3.38Å; Q393-I395 HydrophobicContact CG-CD1 4.42Å; Q393-Q427 PolarHBondContact NE2-O 2.73Å; Q393-S429 PolarHBondContact O-N 2.94Å |
| 394 | I | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 147.1 | 174.5 | -59.6 | -177.7 | 0 | 0 | 0 | 107.7 | E382 V384 R392 V414 I432 | E382-I394 PolarHBondContact N-O 2.82Å; E382-I394 PolarHBondContact O-N 3.06Å; V384-I394 HydrophobicContact CB-CD1 4.04Å; V384-I394 HydrophobicContact CG2-CB 4.26Å; V384-I394 HydrophobicContact CG2-CD1 3.94Å; V384-I394 HydrophobicContact CG2-CG1 4.23Å; R392-I394 HydrophobicContact CB-CG1 4.39Å; R392-I394 PolarHBondContact O-N 2.84Å; I394-V414 HydrophobicContact CD1-CG1 3.49Å; I394-V414 VanDerWaalsContact CD1-CG1 3.49Å; I394-V414 HydrophobicContact CD1-CG2 4.41Å; I394-I432 HydrophobicContact CD1-CG1 4.46Å; I394-I432 HydrophobicContact CG2-CD1 4.36Å; I394-I432 HydrophobicContact CG2-CG1 4.19Å |
| 395 | I | 97.5 | Very high | 95.4 | Very high | 10 Ų | 10 | 56.1 Ų | 56.1 | 5% | 0.051 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.9 | 175.1 | -50.1 | -62.5 | 0 | 0 | 0 | 107.6 | L379 Y380 V381 Q393 L423 V426 S428 | L379-I395 HydrophobicContact CB-CG2 4.04Å; L379-I395 HydrophobicContact CD1-CG2 3.87Å; L379-I395 HydrophobicContact CD2-CG2 4.44Å; L379-I395 HydrophobicContact CG-CG2 4.34Å; Y380-I395 WeakPolarHBondContact O-CA 3.33Å; Y380-I395 WeakPolarHBondContact O-CG2 3.41Å; V381-I395 HydrophobicContact CB-CD1 3.86Å; V381-I395 HydrophobicContact CG1-CD1 3.74Å; V381-I395 HydrophobicContact CG2-CD1 3.51Å; Q393-I395 HydrophobicContact CG-CD1 4.42Å; I395-L423 HydrophobicContact CB-CB 4.34Å; I395-L423 HydrophobicContact CB-CD1 3.84Å; I395-L423 HydrophobicContact CG2-CB 3.95Å; I395-L423 HydrophobicContact CG2-CD1 3.92Å; I395-V426 HydrophobicContact CD1-CB 4.09Å; I395-V426 HydrophobicContact CD1-CG1 3.55Å; I395-V426 HydrophobicContact CG1-CG1 4.27Å; I395-S428 PolarHBondContact N-OG 3.41Å; I395-S428 VanDerWaalsContact N-OG 3.11Å |
| 396 | S | 96.1 | Very high | 95.2 | Very high | 11 Ų | 11 | 59 Ų | 59 | 8% | 0.077 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 154.4 | -177.2 | 89.3 | 0 | 0 | 0 | 0 | 113.2 | L379 Y380 E382 L398 | L379-S396 CarbonylContact C-O 3.52Å; L379-S396 VanDerWaalsContact CA-O 3.23Å; L379-S396 WeakPolarHBondContact CA-O 3.39Å; L379-S396 WeakPolarHBondContact CD2-O 3.4Å; Y380-S396 PolarHBondContact N-O 3.31Å; Y380-S396 PolarHBondContact O-N 3.02Å; E382-S396 WeakPolarHBondContact OE1-CB 3.26Å; E382-S396 PolarHBondContact OE1-OG 2.8Å; E382-S396 PolarHBondContact OE2-N 2.85Å; S396-L398 VanDerWaalsContact C-N 3.27Å; S396-L398 PolarHBondContact O-N 3.46Å; S396-L398 WeakPolarHBondContact OG-CB 3.5Å; S396-L398 WeakPolarHBondContact OG-CD1 3.39Å; S396-L398 VanDerWaalsContact OG-CG 3.24Å; S396-L398 WeakPolarHBondContact OG-CG 3.08Å; S396-L398 PolarHBondContact OG-N 3.49Å |
| 397 | G | 94.8 | Very high | 95.2 | Very high | 48 Ų | 48 | 59 Ų | 59 | 50% | 0.495 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -88.1 | 31.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S378 | S378-G397 CarbonylContact O-C 3.56Å; S378-G397 WeakPolarHBondContact O-CA 3.4Å |
| 398 | L | 95.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | trans | -88.1 | -3.6 | -168.4 | -64.4 | 175.8 | 0 | 0 | 0 | 115 | Y380 S396 Q400 H401 Y402 L407 L443 L445 | Y380-L398 HydrophobicContact CD2-CB 4.11Å; Y380-L398 HydrophobicContact CE2-CB 4.46Å; S396-L398 VanDerWaalsContact C-N 3.27Å; S396-L398 PolarHBondContact O-N 3.46Å; S396-L398 WeakPolarHBondContact OG-CB 3.5Å; S396-L398 WeakPolarHBondContact OG-CD1 3.39Å; S396-L398 VanDerWaalsContact OG-CG 3.24Å; S396-L398 WeakPolarHBondContact OG-CG 3.08Å; S396-L398 PolarHBondContact OG-N 3.49Å; L398-Q400 PolarHBondContact O-N 3.09Å; L398-Q400 VanDerWaalsContact O-N 3.12Å; L398-H401 PolarHBondContact O-N 2.85Å; L398-Y402 HydrophobicContact CB-CD2 4.43Å; L398-Y402 HydrophobicContact CD2-CD2 4.23Å; L398-Y402 HydrophobicContact CD2-CE2 4.39Å; L398-Y402 PolarHBondContact O-N 2.93Å; L398-L407 HydrophobicContact CB-CD1 4.1Å; L398-L407 HydrophobicContact CD1-CD1 4.17Å; L398-L407 HydrophobicContact CD1-CD2 4.32Å; L398-L443 HydrophobicContact CD2-CD1 4.16Å; L398-L443 HydrophobicContact CD2-CD2 3.52Å; L398-L445 HydrophobicContact CD1-CD2 4.16Å | ||
| 399 | V | 95 | Very high | 95.3 | Very high | 29 Ų | 29 | 58.3 Ų | 58.3 | 18% | 0.176 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -33.8 | -175 | -175.9 | 0 | 0 | 0 | 0 | 113.6 | D377 S378 L379 Y380 H401 | D377-V399 WeakPolarHBondContact O-CG1 3.23Å; S378-V399 WeakPolarHBondContact O-CG2 3.1Å; L379-V399 VanDerWaalsContact C-CG2 3.41Å; Y380-V399 HydrophobicContact CD1-CG2 3.8Å; Y380-V399 HydrophobicContact CD2-CB 4.42Å; Y380-V399 HydrophobicContact CD2-CG2 3.65Å; Y380-V399 HydrophobicContact CE1-CG2 3.8Å; Y380-V399 HydrophobicContact CE2-CB 4.03Å; Y380-V399 HydrophobicContact CE2-CG2 3.67Å; Y380-V399 HydrophobicContact CG-CG2 3.71Å; V399-H401 VanDerWaalsContact C-N 3.28Å; V399-H401 PolarHBondContact O-N 3.19Å |
| 400 | Q | 91.9 | Very high | 95.6 | Very high | 140 Ų | 140 | 55 Ų | 55 | 65% | 0.654 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -5.9 | 179.6 | -65 | -175.2 | -11.8 | 0 | 0 | 113.7 | L398 | L398-Q400 PolarHBondContact O-N 3.09Å; L398-Q400 VanDerWaalsContact O-N 3.12Å |
| 401 | H | 92.7 | Very high | 95.8 | Very high | 54 Ų | 54 | 50.2 Ų | 50.2 | 25% | 0.25 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | -29.8 | -168.7 | -65 | -66.5 | 0 | 0 | 0 | 113.5 | L398 V399 L443 | L398-H401 PolarHBondContact O-N 2.85Å; V399-H401 VanDerWaalsContact C-N 3.28Å; V399-H401 PolarHBondContact O-N 3.19Å; H401-L443 HydrophobicContact CB-CD2 4.17Å |
| 402 | Y | 95 | Very high | 95.9 | Very high | 35 Ų | 35 | 47.6 Ų | 47.6 | 14% | 0.137 | 26% | 0.255 | C | S | . | . | trans | -142 | 145 | 179.8 | -62 | -78.1 | 0 | 0 | 0 | 111.1 | Y380 L398 E406 L407 L443 A444 L445 | Y380-Y402 PolarHBondContact OH-O 3.25Å; Y380-Y402 VanDerWaalsContact OH-O 3.13Å; L398-Y402 HydrophobicContact CB-CD2 4.43Å; L398-Y402 HydrophobicContact CD2-CD2 4.23Å; L398-Y402 HydrophobicContact CD2-CE2 4.39Å; L398-Y402 PolarHBondContact O-N 2.93Å; Y402-E406 VanDerWaalsContact CA-OE2 3.27Å; Y402-E406 WeakPolarHBondContact CA-OE2 3.29Å; Y402-E406 HydrophobicContact CD1-CB 4.38Å; Y402-L407 HydrophobicContact CD2-CD2 4.08Å; Y402-L407 HydrophobicContact CG-CD2 3.9Å; Y402-L407 HydrophobicContact CG-CG 4.25Å; Y402-L443 HydrophobicContact CE2-CD2 3.75Å; Y402-A444 WeakPolarHBondContact OH-CA 3.31Å; Y402-L445 HydrophobicContact CD2-CD1 4.48Å; Y402-L445 HydrophobicContact CE1-CD1 4.37Å; Y402-L445 HydrophobicContact CE2-CD1 4.03Å; Y402-L445 HydrophobicContact CE2-CD2 4.45Å; Y402-L445 HydrophobicContact CE2-CG 3.76Å; Y402-L445 PolarHBondContact OH-N 3.41Å; Y402-L445 VanDerWaalsContact OH-N 3.16Å | ||
| 403 | S | 95.9 | Very high | 95.9 | Very high | 40 Ų | 40 | 45.5 Ų | 45.5 | 28% | 0.28 | 25% | 0.247 | S | C | . | . | trans | -76.1 | 166 | 169.3 | 93.8 | 0 | 0 | 0 | 0 | 111.5 | E405 E406 L407 | S403-E405 VanDerWaalsContact CB-OE2 3.24Å; S403-E405 WeakPolarHBondContact CB-OE2 3.37Å; S403-E405 PolarHBondContact O-N 3.4Å; S403-E405 PolarHBondContact OG-N 2.99Å; S403-E405 PolarHBondContact OG-OE2 3.36Å; S403-E406 PolarHBondContact N-OE2 2.99Å; S403-E406 PolarHBondContact O-N 3.03Å; S403-E406 PolarHBondContact OG-N 3.13Å; S403-L407 PolarHBondContact O-N 3.34Å | ||
| 404 | I | 95.9 | Very high | 96 | Very high | 53 Ų | 53 | 42.4 Ų | 42.4 | 27% | 0.272 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.5 | -41.2 | 174.7 | -80.2 | 173.2 | 0 | 0 | 0 | 110.4 | I370 Y380 E406 L407 C408 | I370-I404 HydrophobicContact CG1-CG1 4.25Å; I370-I404 HydrophobicContact CG2-CB 4.23Å; I370-I404 HydrophobicContact CG2-CG1 4.23Å; I370-I404 HydrophobicContact CG2-CG2 3.69Å; Y380-I404 HydrophobicContact CD1-CG1 4.44Å; Y380-I404 HydrophobicContact CE1-CD1 4.08Å; Y380-I404 HydrophobicContact CE1-CG1 3.64Å; I404-E406 VanDerWaalsContact C-N 3.31Å; I404-E406 PolarHBondContact O-N 2.86Å; I404-L407 PolarHBondContact O-N 3.06Å; I404-C408 WeakPolarHBondContact O-CB 3.37Å; I404-C408 PolarHBondContact O-N 3.08Å |
| 405 | E | 95.9 | Very high | 96 | Very high | 147 Ų | 147 | 42.4 Ų | 42.4 | 69% | 0.687 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -66.5 | -33.2 | -178.9 | -56.8 | 72 | -154.2 | 0 | 0 | 111.8 | S403 | S403-E405 VanDerWaalsContact CB-OE2 3.24Å; S403-E405 WeakPolarHBondContact CB-OE2 3.37Å; S403-E405 PolarHBondContact O-N 3.4Å; S403-E405 PolarHBondContact OG-N 2.99Å; S403-E405 PolarHBondContact OG-OE2 3.36Å |
| 406 | E | 95.4 | Very high | 95.9 | Very high | 103 Ų | 103 | 42.2 Ų | 42.2 | 48% | 0.481 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -76 | -22.9 | 177.8 | -68.6 | 177.5 | 132.3 | 0 | 0 | 113.8 | Y402 S403 I404 R410 | Y402-E406 VanDerWaalsContact CA-OE2 3.27Å; Y402-E406 WeakPolarHBondContact CA-OE2 3.29Å; Y402-E406 HydrophobicContact CD1-CB 4.38Å; S403-E406 PolarHBondContact N-OE2 2.99Å; S403-E406 PolarHBondContact O-N 3.03Å; S403-E406 PolarHBondContact OG-N 3.13Å; I404-E406 VanDerWaalsContact C-N 3.31Å; I404-E406 PolarHBondContact O-N 2.86Å; E406-R410 VanDerWaalsContact O-CD 3.3Å; E406-R410 WeakPolarHBondContact O-CD 3.33Å; E406-R410 PolarHBondContact O-NH1 3.01Å |
| 407 | L | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -98.9 | -33.3 | -178.2 | -70.1 | 178.1 | 0 | 0 | 0 | 112.9 | I367 I370 Y380 L398 Y402 S403 I404 G409 R410 L445 | I367-L407 WeakPolarHBondContact CB-O 3.42Å; I367-L407 HydrophobicContact CD1-CB 4.12Å; I367-L407 HydrophobicContact CD1-CD2 4.3Å; I370-L407 HydrophobicContact CD1-CB 3.86Å; I370-L407 HydrophobicContact CD1-CD1 3.49Å; I370-L407 VanDerWaalsContact CD1-CD1 3.49Å; I370-L407 HydrophobicContact CD1-CG 4.32Å; Y380-L407 HydrophobicContact CD2-CD1 3.96Å; Y380-L407 HydrophobicContact CE2-CD1 3.91Å; L398-L407 HydrophobicContact CB-CD1 4.1Å; L398-L407 HydrophobicContact CD1-CD1 4.17Å; L398-L407 HydrophobicContact CD1-CD2 4.32Å; Y402-L407 HydrophobicContact CD2-CD2 4.08Å; Y402-L407 HydrophobicContact CG-CD2 3.9Å; Y402-L407 HydrophobicContact CG-CG 4.25Å; S403-L407 PolarHBondContact O-N 3.34Å; I404-L407 PolarHBondContact O-N 3.06Å; L407-G409 PolarHBondContact O-N 2.9Å; L407-R410 WeakPolarHBondContact O-CB 3.49Å; L407-R410 PolarHBondContact O-N 3.28Å; L407-L445 HydrophobicContact CD2-CD1 3.79Å |
| 408 | C | 95.5 | Very high | 95.9 | Very high | 68 Ų | 68 | 41.5 Ų | 41.5 | 46% | 0.459 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 124.7 | -178.3 | -167.4 | 0 | 0 | 0 | 0 | 110.9 | I370 I404 R410 | I370-C408 HydrophobicContact CG2-CB 4.21Å; I404-C408 WeakPolarHBondContact O-CB 3.37Å; I404-C408 PolarHBondContact O-N 3.08Å; C408-R410 VanDerWaalsContact C-N 3.26Å; C408-R410 PolarHBondContact O-N 3.32Å |
| 409 | G | 96.1 | Very high | 95.8 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 38% | 0.381 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -2.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | I367 L407 | I367-G409 VanDerWaalsContact O-CA 3.24Å; I367-G409 WeakPolarHBondContact O-CA 3.45Å; I367-G409 PolarHBondContact O-N 2.86Å; L407-G409 PolarHBondContact O-N 2.9Å |
| 410 | R | 96.7 | Very high | 95.7 | Very high | 67 Ų | 67 | 49.8 Ų | 49.8 | 25% | 0.253 | 26% | 0.257 | S | S | . | . | trans | -73.3 | 144.2 | -178.2 | -164.1 | 157.8 | -173.8 | 167.4 | 1.1 | 111.6 | I367 E406 L407 C408 L445 E447 | I367-R410 PolarHBondContact N-O 2.86Å; I367-R410 VanDerWaalsContact N-O 3.09Å; E406-R410 VanDerWaalsContact O-CD 3.3Å; E406-R410 WeakPolarHBondContact O-CD 3.33Å; E406-R410 PolarHBondContact O-NH1 3.01Å; L407-R410 WeakPolarHBondContact O-CB 3.49Å; L407-R410 PolarHBondContact O-N 3.28Å; C408-R410 VanDerWaalsContact C-N 3.26Å; C408-R410 PolarHBondContact O-N 3.32Å; R410-L445 HydrophobicContact CG-CD1 4.42Å; R410-E447 IonicContact CZ-OE1 3.62Å; R410-E447 IonicContact NE-OE1 3.69Å; R410-E447 IonicContact NH2-OE1 2.72Å; R410-E447 PolarHBondContact NH2-OE1 3.12Å | ||
| 411 | M | 97.8 | Very high | 95.8 | Very high | 42 Ų | 42 | 45.7 Ų | 45.7 | 21% | 0.207 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 131.5 | 174.5 | -59 | -65.1 | -78.2 | 0 | 0 | 109.9 | I364 G365 K366 P448 S452 P454 | I364-M411 HydrophobicContact CG2-CB 4.48Å; I364-M411 HydrophobicContact CG2-CE 3.39Å; G365-M411 CarbonylContact O-C 3.41Å; G365-M411 VanDerWaalsContact O-CA 3.32Å; G365-M411 WeakPolarHBondContact O-CA 3.2Å; K366-M411 HydrophobicContact CB-SD 3.61Å; K366-M411 HydrophobicContact CD-SD 4.07Å; K366-M411 HydrophobicContact CG-SD 3.81Å; M411-P448 HydrophobicContact CB-CG 3.55Å; M411-S452 WeakPolarHBondContact CE-O 3.39Å; M411-P454 HydrophobicContact CE-CG 4.35Å |
| 412 | V | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 158.9 | -173.1 | -65.3 | 0 | 0 | 0 | 0 | 111.2 | I364 G365 I367 V384 V414 I432 L445 | I364-V412 CarbonylContact C-O 3.06Å; I364-V412 WeakPolarHBondContact CA-O 3.47Å; G365-V412 PolarHBondContact N-O 3.1Å; G365-V412 PolarHBondContact O-N 2.83Å; I367-V412 HydrophobicContact CD1-CG1 4.11Å; I367-V412 HydrophobicContact CG1-CG2 4.28Å; V384-V412 HydrophobicContact CG1-CG2 4.43Å; V412-V414 HydrophobicContact CG2-CG2 3.92Å; V412-I432 HydrophobicContact CB-CG2 3.99Å; V412-I432 HydrophobicContact CG1-CG2 4.19Å; V412-I432 HydrophobicContact CG2-CD1 4.48Å; V412-I432 HydrophobicContact CG2-CG1 4.19Å; V412-I432 HydrophobicContact CG2-CG2 4.29Å; V412-L445 HydrophobicContact CG1-CD1 4.35Å; V412-L445 HydrophobicContact CG1-CD2 4.08Å |
| 413 | V | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 128.4 | 169.4 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | L362 I364 L433 I446 V458 L507 | L362-V413 HydrophobicContact CB-CG1 4.48Å; I364-V413 HydrophobicContact CD1-CG2 3.88Å; V413-L433 HydrophobicContact CB-CB 4.48Å; V413-L433 HydrophobicContact CG1-CD1 4.02Å; V413-L433 HydrophobicContact CG1-CG 4.5Å; V413-L433 PolarHBondContact O-N 2.98Å; V413-I446 HydrophobicContact CB-CB 4.38Å; V413-I446 HydrophobicContact CB-CG2 4.4Å; V413-I446 HydrophobicContact CG2-CB 4.12Å; V413-I446 HydrophobicContact CG2-CG2 3.73Å; V413-V458 HydrophobicContact CG1-CG2 4.17Å; V413-V458 HydrophobicContact CG2-CG2 4.38Å; V413-L507 HydrophobicContact CG2-CD1 3.96Å; V413-L507 HydrophobicContact CG2-CD2 4.46Å |
| 414 | V | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.8 | -176.3 | -174 | 0 | 0 | 0 | 0 | 110.5 | L362 R363 V384 V386 I394 V412 M431 | L362-V414 WeakPolarHBondContact CA-O 3.32Å; R363-V414 PolarHBondContact N-O 2.71Å; R363-V414 PolarHBondContact O-N 3.08Å; V384-V414 HydrophobicContact CG1-CG2 4Å; V386-V414 HydrophobicContact CG1-CB 4.09Å; V386-V414 HydrophobicContact CG1-CG1 4.17Å; V386-V414 HydrophobicContact CG1-CG2 4Å; I394-V414 HydrophobicContact CD1-CG1 3.49Å; I394-V414 VanDerWaalsContact CD1-CG1 3.49Å; I394-V414 HydrophobicContact CD1-CG2 4.41Å; V412-V414 HydrophobicContact CG2-CG2 3.92Å; V414-M431 CarbonylContact C-O 3.52Å; V414-M431 WeakPolarHBondContact CA-O 3.37Å |
| 415 | L | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 113.6 | 166.8 | 176.9 | 62.2 | 0 | 0 | 0 | 110.1 | L360 L362 N417 L418 G430 M431 L433 L471 W478 | L360-L415 HydrophobicContact CB-CD1 3.88Å; L360-L415 HydrophobicContact CD2-CD1 4.03Å; L360-L415 HydrophobicContact CG-CD1 4.36Å; L362-L415 HydrophobicContact CD2-CB 3.95Å; L362-L415 HydrophobicContact CD2-CD1 3.7Å; L362-L415 HydrophobicContact CD2-CG 4.41Å; L415-N417 WeakPolarHBondContact CD1-OD1 3.32Å; L415-L418 HydrophobicContact CD2-CD1 3.68Å; L415-L418 HydrophobicContact CD2-CD2 3.99Å; L415-L418 HydrophobicContact CD2-CG 3.6Å; L415-L418 HydrophobicContact CG-CD1 4.19Å; L415-L418 HydrophobicContact CG-CG 3.95Å; L415-G430 WeakPolarHBondContact O-CA 3.1Å; L415-M431 HydrophobicContact CB-CB 4.38Å; L415-M431 PolarHBondContact N-O 2.83Å; L415-M431 PolarHBondContact O-N 3.39Å; L415-L433 HydrophobicContact CB-CD2 4.31Å; L415-L471 HydrophobicContact CD1-CD1 4.35Å; L415-L471 HydrophobicContact CD2-CD1 4.44Å; L415-W478 HydrophobicContact CD2-CD2 3.86Å; L415-W478 HydrophobicContact CD2-CE3 3.56Å; L415-W478 HydrophobicContact CD2-CH2 3.95Å; L415-W478 HydrophobicContact CD2-CZ2 4.2Å; L415-W478 HydrophobicContact CD2-CZ3 3.63Å |
| 416 | C | 97.3 | Very high | 95.4 | Very high | 7 Ų | 7 | 52.3 Ų | 52.3 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | trans | -101.4 | -11.6 | -167.5 | -67.9 | 0 | 0 | 0 | 0 | 114.8 | D361 R392 | D361-C416 HydrophobicContact CB-CB 4.14Å; D361-C416 WeakPolarHBondContact O-CB 3.39Å; D361-C416 PolarHBondContact O-N 3.01Å; R392-C416 PolarHBondContact NH1-O 2.85Å | ||
| 417 | N | 95.9 | Very high | 95.4 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.027 | 29% | 0.286 | C | S | . | . | trans | -110.1 | 24.2 | -176.3 | 68 | -19.3 | 0 | 0 | 0 | 114.2 | N359 D361 L415 D468 V470 L471 | N359-N417 PolarHBondContact O-ND2 3.18Å; D361-N417 HydrophobicContact CB-CB 3.77Å; D361-N417 VanDerWaalsContact N-CG 3.31Å; D361-N417 PolarHBondContact N-ND2 3.22Å; D361-N417 PolarHBondContact N-OD1 3.16Å; D361-N417 VanDerWaalsContact N-OD1 3.1Å; L415-N417 WeakPolarHBondContact CD1-OD1 3.32Å; N417-D468 VanDerWaalsContact CB-O 3.26Å; N417-D468 WeakPolarHBondContact CB-O 3.47Å; N417-D468 PolarHBondContact ND2-O 2.96Å; N417-V470 CarbonylContact O-C 3.6Å; N417-V470 WeakPolarHBondContact O-CA 3.34Å; N417-L471 PolarHBondContact O-N 3.16Å; N417-L471 WeakPolarHBondContact OD1-CD1 3.2Å | ||
| 418 | L | 94.4 | Very high | 95.4 | Very high | 39 Ų | 39 | 52.2 Ų | 52.2 | 20% | 0.204 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -73.2 | 149.2 | 164.2 | -72.2 | 172.3 | 0 | 0 | 0 | 110.6 | L415 M431 L471 W478 | L415-L418 HydrophobicContact CD2-CD1 3.68Å; L415-L418 HydrophobicContact CD2-CD2 3.99Å; L415-L418 HydrophobicContact CD2-CG 3.6Å; L415-L418 HydrophobicContact CG-CD1 4.19Å; L415-L418 HydrophobicContact CG-CG 3.95Å; L418-M431 HydrophobicContact CD1-CB 3.76Å; L418-M431 HydrophobicContact CD1-CE 3.86Å; L418-M431 HydrophobicContact CD1-SD 4.17Å; L418-L471 HydrophobicContact CD2-CD1 3.99Å; L418-W478 HydrophobicContact CD2-CB 4.12Å; L418-W478 HydrophobicContact CD2-CG 4.18Å |
| 419 | K | 93 | Very high | 95.5 | Very high | 139 Ų | 139 | 50.4 Ų | 50.4 | 60% | 0.604 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 128.9 | 167.8 | -171.5 | -179.2 | 179.3 | -178.9 | 0 | 108.7 | A421 V470 P473 | K419-A421 PolarHBondContact O-N 2.9Å; K419-V470 HydrophobicContact CB-CG1 3.83Å; K419-V470 HydrophobicContact CG-CG1 4.45Å; K419-P473 HydrophobicContact CB-CG 4.34Å; K419-P473 HydrophobicContact CD-CG 4.35Å |
| 420 | P | 93.6 | Very high | 95.5 | Very high | 68 Ų | 68 | 49 Ų | 49 | 44% | 0.442 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 137.5 | 176.1 | -27.5 | 34.7 | 0 | 0 | 0 | 111.8 | Q427 S428 | P420-Q427 HydrophobicContact CB-CG 4.12Å; P420-S428 VanDerWaalsContact CA-O 3.31Å; P420-S428 WeakPolarHBondContact CA-O 3.43Å |
| 421 | A | 93.4 | Very high | 95.5 | Very high | 55 Ų | 55 | 48.7 Ų | 48.7 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 147.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | K419 S428 | K419-A421 PolarHBondContact O-N 2.9Å; A421-S428 PolarHBondContact N-O 2.94Å; A421-S428 VanDerWaalsContact N-O 3.12Å; A421-S428 PolarHBondContact O-N 3.41Å |
| 422 | K | 94.7 | Very high | 95.5 | Very high | 157 Ų | 157 | 47.2 Ų | 47.2 | 68% | 0.683 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 125.3 | 173.5 | -67.8 | -173 | 179.4 | -173.1 | 0 | 109.8 | V426 | K422-V426 CarbonylContact C-O 3.56Å; K422-V426 WeakPolarHBondContact CA-O 3.31Å |
| 423 | L | 92.6 | Very high | 95.5 | Very high | 74 Ų | 74 | 47.3 Ų | 47.3 | 39% | 0.387 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 111.6 | 171.3 | -69.6 | 171.6 | 0 | 0 | 0 | 106.9 | H373 L379 I395 G425 V426 | H373-L423 PolarHBondContact NE2-O 3.01Å; H373-L423 VanDerWaalsContact NE2-O 3.17Å; L379-L423 HydrophobicContact CD1-CB 4.3Å; I395-L423 HydrophobicContact CB-CB 4.34Å; I395-L423 HydrophobicContact CB-CD1 3.84Å; I395-L423 HydrophobicContact CG2-CB 3.95Å; I395-L423 HydrophobicContact CG2-CD1 3.92Å; L423-G425 PolarHBondContact O-N 3Å; L423-G425 VanDerWaalsContact O-N 3.13Å; L423-V426 PolarHBondContact N-O 3.31Å; L423-V426 PolarHBondContact O-N 3.23Å; L423-V426 VanDerWaalsContact O-N 3.12Å |
| 424 | K | 93 | Very high | 95.4 | Very high | 150 Ų | 150 | 47.7 Ų | 47.7 | 65% | 0.652 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 40 | -177.2 | -64.6 | -72.9 | -173.3 | 173.7 | 0 | 113.6 | H373 A376 L379 | H373-K424 PolarHBondContact CE1-O 2.88Å; H373-K424 VanDerWaalsContact CE1-O 3.32Å; A376-K424 HydrophobicContact CB-CB 4.26Å; A376-K424 HydrophobicContact CB-CG 4.01Å; L379-K424 HydrophobicContact CD1-CG 4.34Å |
| 425 | G | 92.2 | Very high | 95.4 | Very high | 57 Ų | 57 | 47.7 Ų | 47.7 | 59% | 0.588 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.5 | -22.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L423 | L423-G425 PolarHBondContact O-N 3Å; L423-G425 VanDerWaalsContact O-N 3.13Å |
| 426 | V | 93.6 | Very high | 95.2 | Very high | 29 Ų | 29 | 48.1 Ų | 48.1 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 134.6 | 179.5 | -173.8 | 0 | 0 | 0 | 0 | 110.2 | H373 P374 V381 I395 K422 L423 | H373-V426 WeakPolarHBondContact NE2-CB 3.48Å; H373-V426 WeakPolarHBondContact NE2-CG2 3.46Å; P374-V426 HydrophobicContact CG-CG2 4.42Å; V381-V426 HydrophobicContact CG2-CG1 4.49Å; I395-V426 HydrophobicContact CD1-CB 4.09Å; I395-V426 HydrophobicContact CD1-CG1 3.55Å; I395-V426 HydrophobicContact CG1-CG1 4.27Å; K422-V426 CarbonylContact C-O 3.56Å; K422-V426 WeakPolarHBondContact CA-O 3.31Å; L423-V426 PolarHBondContact N-O 3.31Å; L423-V426 PolarHBondContact O-N 3.23Å; L423-V426 VanDerWaalsContact O-N 3.12Å |
| 427 | Q | 95.6 | Very high | 94.9 | Very high | 94 Ų | 94 | 52 Ų | 52 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 129.1 | -178.4 | -174.9 | 177 | -67.9 | 0 | 0 | 111.3 | Q393 P420 S429 | Q393-Q427 PolarHBondContact NE2-O 2.73Å; P420-Q427 HydrophobicContact CB-CG 4.12Å; Q427-S429 PolarHBondContact NE2-OG 3.15Å |
| 428 | S | 97 | Very high | 94.4 | Very high | 8 Ų | 8 | 57.3 Ų | 57.3 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130.6 | 166.5 | -168.8 | 0 | 0 | 0 | 0 | 109.9 | I395 P420 A421 G430 | I395-S428 PolarHBondContact N-OG 3.41Å; I395-S428 VanDerWaalsContact N-OG 3.11Å; P420-S428 VanDerWaalsContact CA-O 3.31Å; P420-S428 WeakPolarHBondContact CA-O 3.43Å; A421-S428 PolarHBondContact N-O 2.94Å; A421-S428 VanDerWaalsContact N-O 3.12Å; A421-S428 PolarHBondContact O-N 3.41Å; S428-G430 PolarHBondContact OG-O 3.32Å |
| 429 | S | 96.3 | Very high | 93.9 | Very high | 29 Ų | 29 | 63.9 Ų | 63.9 | 20% | 0.203 | 34% | 0.335 | C | S | . | . | trans | -111.4 | 24.6 | -179 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | R392 Q393 Q427 | R392-S429 PolarHBondContact NH1-O 2.89Å; Q393-S429 PolarHBondContact O-N 2.94Å; Q427-S429 PolarHBondContact NE2-OG 3.15Å | ||
| 430 | G | 96.4 | Very high | 93.5 | Very high | 9 Ų | 9 | 61.4 Ų | 61.4 | 9% | 0.093 | 33% | 0.334 | C | S | . | . | trans | 177.6 | -174.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L415 S428 | L415-G430 WeakPolarHBondContact O-CA 3.1Å; S428-G430 PolarHBondContact OG-O 3.32Å | ||
| 431 | M | 97.2 | Very high | 93.2 | Very high | 59 Ų | 59 | 64.7 Ų | 64.7 | 29% | 0.291 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 128 | 176.3 | 178.6 | -179.7 | -75.7 | 0 | 0 | 109.6 | V414 L415 L418 L433 W478 | V414-M431 CarbonylContact C-O 3.52Å; V414-M431 WeakPolarHBondContact CA-O 3.37Å; L415-M431 HydrophobicContact CB-CB 4.38Å; L415-M431 PolarHBondContact N-O 2.83Å; L415-M431 PolarHBondContact O-N 3.39Å; L418-M431 HydrophobicContact CD1-CB 3.76Å; L418-M431 HydrophobicContact CD1-CE 3.86Å; L418-M431 HydrophobicContact CD1-SD 4.17Å; M431-L433 HydrophobicContact CG-CD2 4.34Å; M431-L433 HydrophobicContact SD-CD2 4.34Å; M431-W478 HydrophobicContact SD-CZ2 3.94Å |
| 432 | I | 97.7 | Very high | 93.1 | Very high | 11 Ų | 11 | 65.7 Ų | 65.7 | 6% | 0.056 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 122.5 | 171.1 | -66.7 | 166.9 | 0 | 0 | 0 | 107.8 | I367 V384 I394 V412 L445 | I367-I432 HydrophobicContact CD1-CD1 4.24Å; V384-I432 HydrophobicContact CG2-CD1 4.45Å; I394-I432 HydrophobicContact CD1-CG1 4.46Å; I394-I432 HydrophobicContact CG2-CD1 4.36Å; I394-I432 HydrophobicContact CG2-CG1 4.19Å; V412-I432 HydrophobicContact CB-CG2 3.99Å; V412-I432 HydrophobicContact CG1-CG2 4.19Å; V412-I432 HydrophobicContact CG2-CD1 4.48Å; V412-I432 HydrophobicContact CG2-CG1 4.19Å; V412-I432 HydrophobicContact CG2-CG2 4.29Å; I432-L445 HydrophobicContact CG2-CD2 3.87Å |
| 433 | L | 97.5 | Very high | 93.1 | Very high | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | trans | -82.7 | 132.4 | -177.4 | -63.2 | -172.1 | 0 | 0 | 0 | 111.9 | L362 V413 L415 M431 I446 W478 I517 | L362-L433 HydrophobicContact CD2-CD1 3.64Å; V413-L433 HydrophobicContact CB-CB 4.48Å; V413-L433 HydrophobicContact CG1-CD1 4.02Å; V413-L433 HydrophobicContact CG1-CG 4.5Å; V413-L433 PolarHBondContact O-N 2.98Å; L415-L433 HydrophobicContact CB-CD2 4.31Å; M431-L433 HydrophobicContact CG-CD2 4.34Å; M431-L433 HydrophobicContact SD-CD2 4.34Å; L433-I446 HydrophobicContact CB-CG1 4.44Å; L433-I446 PolarHBondContact O-N 3.05Å; L433-W478 HydrophobicContact CD2-CH2 3.73Å; L433-W478 HydrophobicContact CD2-CZ2 4.1Å; L433-I517 HydrophobicContact CB-CG2 3.97Å; L433-I517 HydrophobicContact CD1-CG2 4.25Å | ||
| 434 | C | 97 | Very high | 93.2 | Very high | 8 Ų | 8 | 58 Ų | 58 | 5% | 0.054 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 146.1 | 177.7 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | L443 A444 I517 K518 | C434-L443 HydrophobicContact CB-CD1 4.15Å; C434-L443 HydrophobicContact CB-CD2 3.94Å; C434-L443 HydrophobicContact CB-CG 3.87Å; C434-A444 CarbonylContact C-O 3.56Å; C434-A444 WeakPolarHBondContact CA-O 3.39Å; C434-I517 CarbonylContact O-C 3.58Å; C434-I517 VanDerWaalsContact O-CA 3.29Å; C434-I517 WeakPolarHBondContact O-CA 3.24Å; C434-K518 PolarHBondContact N-O 2.82Å; C434-K518 PolarHBondContact O-N 3.26Å |
| 435 | A | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 132.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | L443 A444 I446 I487 L512 A515 | A435-L443 CarbonylContact O-C 3.55Å; A435-L443 WeakPolarHBondContact O-CA 3.38Å; A435-A444 PolarHBondContact N-O 2.9Å; A435-A444 PolarHBondContact O-N 2.78Å; A435-I446 HydrophobicContact CB-CD1 3.93Å; A435-I487 HydrophobicContact CB-CD1 3.98Å; A435-I487 HydrophobicContact CB-CG1 3.61Å; A435-L512 HydrophobicContact CB-CB 4.25Å; A435-L512 HydrophobicContact CB-CD2 3.85Å; A435-L512 WeakPolarHBondContact O-CD2 3.27Å; A435-A515 HydrophobicContact CB-CB 4.2Å |
| 436 | S | 93.9 | Very high | 93.6 | Very high | 9 Ų | 9 | 48.8 Ų | 48.8 | 6% | 0.063 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 143.2 | -179 | 67.8 | 0 | 0 | 0 | 0 | 112.7 | Q442 A515 A516 K518 | S436-Q442 WeakPolarHBondContact CA-O 3.41Å; S436-A515 WeakPolarHBondContact O-CB 3.28Å; S436-A516 PolarHBondContact N-O 2.8Å; S436-A516 PolarHBondContact O-N 3.24Å; S436-A516 PolarHBondContact OG-O 2.66Å; S436-K518 WeakPolarHBondContact OG-CD 3.17Å; S436-K518 WeakPolarHBondContact OG-CE 3.39Å; S436-K518 WeakPolarHBondContact OG-CG 2.91Å; S436-K518 PolarHBondContact OG-NZ 2.86Å |
| 437 | R | 91.2 | Very high | 93.7 | Very high | 88 Ų | 88 | 50.4 Ų | 50.4 | 33% | 0.332 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 136.1 | 174 | -164.4 | -161.9 | -30.6 | -122.4 | 6.8 | 107.6 | E439 K441 Q442 L512 | R437-E439 WeakPolarHBondContact CD-O 3.17Å; R437-K441 CarbonylContact O-C 3.58Å; R437-K441 VanDerWaalsContact O-CA 3.31Å; R437-K441 WeakPolarHBondContact O-CA 3.38Å; R437-Q442 PolarHBondContact N-O 3.43Å; R437-Q442 PolarHBondContact O-N 3.19Å; R437-L512 HydrophobicContact CB-CD2 4.35Å |
| 438 | D | 85.5 | Confident | 93.8 | Very high | 117 Ų | 117 | 46.4 Ų | 46.4 | 63% | 0.626 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -28.1 | -174.1 | -60.8 | -36 | 0 | 0 | 0 | 112.6 | P440 K441 K518 | D438-P440 CarbonylContact O-C 3.56Å; D438-K441 WeakPolarHBondContact O-CA 3.38Å; D438-K441 PolarHBondContact O-N 2.89Å; D438-K518 IonicContact OD1-NZ 3.35Å; D438-K518 PolarHBondContact OD1-NZ 2.85Å |
| 439 | E | 83 | Confident | 93.8 | Very high | 177 Ų | 177 | 46.8 Ų | 46.8 | 83% | 0.827 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -132.4 | 106.7 | -176.1 | -65.8 | -175.4 | -174.1 | 0 | 0 | 112.5 | R437 | R437-E439 WeakPolarHBondContact CD-O 3.17Š|
| 440 | P | 85 | Confident | 93.7 | Very high | 88 Ų | 88 | 51.5 Ų | 51.5 | 57% | 0.571 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -64.6 | 153.5 | -15.9 | 30.5 | -35.1 | 0 | 0 | 0 | 111.1 | D438 Q442 | D438-P440 CarbonylContact O-C 3.56Å; P440-Q442 HydrophobicContact CG-CG 4.25Å; P440-Q442 PolarHBondContact O-N 2.96Å |
| 441 | K | 88.4 | Confident | 93.6 | Very high | 136 Ų | 136 | 54 Ų | 54 | 59% | 0.591 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 107.8 | 178.5 | -170.9 | -178 | 178.4 | -171.1 | 0 | 109.7 | R437 D438 | R437-K441 CarbonylContact O-C 3.58Å; R437-K441 VanDerWaalsContact O-CA 3.31Å; R437-K441 WeakPolarHBondContact O-CA 3.38Å; D438-K441 WeakPolarHBondContact O-CA 3.38Å; D438-K441 PolarHBondContact O-N 2.89Å |
| 442 | Q | 91.7 | Very high | 93.6 | Very high | 77 Ų | 77 | 52 Ų | 52 | 36% | 0.36 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 141.7 | -179.9 | -71.5 | 177.6 | -15 | 0 | 0 | 109.1 | S436 R437 P440 L512 | S436-Q442 WeakPolarHBondContact CA-O 3.41Å; R437-Q442 PolarHBondContact N-O 3.43Å; R437-Q442 PolarHBondContact O-N 3.19Å; P440-Q442 HydrophobicContact CG-CG 4.25Å; P440-Q442 PolarHBondContact O-N 2.96Å; Q442-L512 HydrophobicContact CB-CD1 3.51Å; Q442-L512 HydrophobicContact CB-CD2 4.42Å; Q442-L512 HydrophobicContact CG-CD1 4.28Å |
| 443 | L | 93.7 | Very high | 93.6 | Very high | 47 Ų | 47 | 56.3 Ų | 56.3 | 25% | 0.246 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 137.1 | 178.6 | -172.7 | 146.7 | 0 | 0 | 0 | 108.8 | L398 H401 Y402 C434 A435 | L398-L443 HydrophobicContact CD2-CD1 4.16Å; L398-L443 HydrophobicContact CD2-CD2 3.52Å; H401-L443 HydrophobicContact CB-CD2 4.17Å; Y402-L443 HydrophobicContact CE2-CD2 3.75Å; C434-L443 HydrophobicContact CB-CD1 4.15Å; C434-L443 HydrophobicContact CB-CD2 3.94Å; C434-L443 HydrophobicContact CB-CG 3.87Å; A435-L443 CarbonylContact O-C 3.55Å; A435-L443 WeakPolarHBondContact O-CA 3.38Å |
| 444 | A | 95.3 | Very high | 93.6 | Very high | 22 Ų | 22 | 57.9 Ų | 57.9 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 136.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110 | Y402 C434 A435 | Y402-A444 WeakPolarHBondContact OH-CA 3.31Å; C434-A444 CarbonylContact C-O 3.56Å; C434-A444 WeakPolarHBondContact CA-O 3.39Å; A435-A444 PolarHBondContact N-O 2.9Å; A435-A444 PolarHBondContact O-N 2.78Å |
| 445 | L | 96.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 58.6 Ų | 58.6 | 5% | 0.052 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 146.8 | 173.3 | -68.8 | 166.8 | 0 | 0 | 0 | 111.3 | L398 Y402 L407 R410 V412 I432 | L398-L445 HydrophobicContact CD1-CD2 4.16Å; Y402-L445 HydrophobicContact CD2-CD1 4.48Å; Y402-L445 HydrophobicContact CE1-CD1 4.37Å; Y402-L445 HydrophobicContact CE2-CD1 4.03Å; Y402-L445 HydrophobicContact CE2-CD2 4.45Å; Y402-L445 HydrophobicContact CE2-CG 3.76Å; Y402-L445 PolarHBondContact OH-N 3.41Å; Y402-L445 VanDerWaalsContact OH-N 3.16Å; L407-L445 HydrophobicContact CD2-CD1 3.79Å; R410-L445 HydrophobicContact CG-CD1 4.42Å; V412-L445 HydrophobicContact CG1-CD1 4.35Å; V412-L445 HydrophobicContact CG1-CD2 4.08Å; I432-L445 HydrophobicContact CG2-CD2 3.87Å |
| 446 | I | 97 | Very high | 93.6 | Very high | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -83.7 | 117.1 | 166.7 | -54.2 | -56.8 | 0 | 0 | 0 | 108.2 | V413 L433 A435 I487 P493 L507 I517 | V413-I446 HydrophobicContact CB-CB 4.38Å; V413-I446 HydrophobicContact CB-CG2 4.4Å; V413-I446 HydrophobicContact CG2-CB 4.12Å; V413-I446 HydrophobicContact CG2-CG2 3.73Å; L433-I446 HydrophobicContact CB-CG1 4.44Å; L433-I446 PolarHBondContact O-N 3.05Å; A435-I446 HydrophobicContact CB-CD1 3.93Å; I446-I487 HydrophobicContact CD1-CD1 3.77Å; I446-P493 HydrophobicContact CD1-CG 4.39Å; I446-P493 HydrophobicContact CG2-CB 4.23Å; I446-P493 HydrophobicContact CG2-CG 4Å; I446-L507 HydrophobicContact CG2-CD1 3.62Å; I446-I517 HydrophobicContact CD1-CD1 4.24Å; I446-I517 HydrophobicContact CD1-CG1 4.1Å; I446-I517 HydrophobicContact CD1-CG2 4.44Å; I446-I517 HydrophobicContact CG1-CG2 4.1Å |
| 447 | E | 95.1 | Very high | 93.7 | Very high | 63 Ų | 63 | 63.9 Ų | 63.9 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -101.6 | 136.6 | -173.1 | -61.3 | -173.3 | 152.1 | 0 | 0 | 112.2 | R410 K508 | R410-E447 IonicContact CZ-OE1 3.62Å; R410-E447 IonicContact NE-OE1 3.69Å; R410-E447 IonicContact NH2-OE1 2.72Å; R410-E447 PolarHBondContact NH2-OE1 3.12Å; E447-K508 HydrophobicContact CB-CB 4.02Å; E447-K508 HydrophobicContact CB-CD 3.97Å; E447-K508 HydrophobicContact CB-CG 4.39Å; E447-K508 PolarHBondContact O-N 2.79Å |
| 448 | P | 97.3 | Very high | 94 | Very high | 10 Ų | 10 | 59.9 Ų | 59.9 | 7% | 0.065 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 162 | 176 | 27.3 | -31 | 0 | 0 | 0 | 113.3 | I364 M411 K508 | I364-P448 HydrophobicContact CD1-CB 3.69Å; I364-P448 HydrophobicContact CD1-CG 4.4Å; I364-P448 HydrophobicContact CG1-CB 4.09Å; I364-P448 HydrophobicContact CG2-CB 4.21Å; I364-P448 HydrophobicContact CG2-CG 4.04Å; M411-P448 HydrophobicContact CB-CG 3.55Å; P448-K508 WeakPolarHBondContact O-CD 3.16Å; P448-K508 WeakPolarHBondContact O-CE 3.46Å; P448-K508 WeakPolarHBondContact O-CG 3.32Å |
| 449 | P | 96.8 | Very high | 94.5 | Very high | 15 Ų | 15 | 58 Ų | 58 | 10% | 0.097 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 158 | 167.6 | 27.9 | -35.9 | 0 | 0 | 0 | 111.6 | S452 T502 K504 | P449-S452 PolarHBondContact O-N 2.89Å; P449-T502 HydrophobicContact CG-CG2 4.45Å; P449-T502 VanDerWaalsContact CG-OG1 3.22Å; P449-T502 WeakPolarHBondContact CG-OG1 3.33Å; P449-K504 HydrophobicContact CB-CB 4.42Å; P449-K504 HydrophobicContact CG-CB 3.94Å |
| 450 | D | 95.3 | Very high | 95.1 | Very high | 129 Ų | 129 | 49.8 Ų | 49.8 | 69% | 0.69 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 140.7 | 176 | -63.1 | -35.7 | 0 | 0 | 0 | 110.8 | K508 | D450-K508 WeakPolarHBondContact OD1-CE 3.34Å; D450-K508 IonicContact OD1-NZ 2.77Å; D450-K508 PolarHBondContact OD1-NZ 3.13Å |
| 451 | G | 94.8 | Very high | 95.4 | Very high | 62 Ų | 62 | 50 Ų | 50 | 64% | 0.639 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | -1.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 452 | S | 96.7 | Very high | 95.3 | Very high | 17 Ų | 17 | 47.6 Ų | 47.6 | 12% | 0.119 | 29% | 0.289 | C | S | . | . | trans | -64.6 | 148.4 | 171.7 | -91.4 | 0 | 0 | 0 | 0 | 113 | M411 P449 D456 | M411-S452 WeakPolarHBondContact CE-O 3.39Å; P449-S452 PolarHBondContact O-N 2.89Å; S452-D456 WeakPolarHBondContact CA-OD2 3.39Å; S452-D456 WeakPolarHBondContact CB-OD2 3.22Å; S452-D456 PolarHBondContact OG-OD2 2.8Å; S452-D456 VanDerWaalsContact OG-OD2 3.07Å | ||
| 453 | I | 96.7 | Very high | 95.2 | Very high | 100 Ų | 100 | 45.6 Ų | 45.6 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | trans | -122 | 159.3 | 178.6 | 60.8 | 170.4 | 0 | 0 | 0 | 111.2 | G455 D456 | I453-G455 PolarHBondContact O-N 2.96Å; I453-D456 VanDerWaalsContact CG1-OD1 3.24Å; I453-D456 WeakPolarHBondContact CG1-OD1 3.2Å; I453-D456 PolarHBondContact N-OD2 3.07Å; I453-D456 PolarHBondContact O-N 2.95Å | ||
| 454 | P | 98 | Very high | 94.9 | Very high | 36 Ų | 36 | 47.6 Ų | 47.6 | 23% | 0.234 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 129 | 173 | -27.5 | 36.8 | 0 | 0 | 0 | 112.1 | K366 D385 M411 | K366-P454 HydrophobicContact CB-CG 3.82Å; D385-P454 HydrophobicContact CB-CB 4.28Å; D385-P454 WeakPolarHBondContact OD2-CB 3.26Å; M411-P454 HydrophobicContact CE-CG 4.35Å |
| 455 | G | 96.4 | Very high | 94.6 | Very high | 24 Ų | 24 | 50.6 Ų | 50.6 | 25% | 0.247 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | -9.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | I364 V386 I453 M457 | I364-G455 PolarHBondContact O-N 3.06Å; V386-G455 WeakPolarHBondContact O-CA 3.15Å; I453-G455 PolarHBondContact O-N 2.96Å; G455-M457 PolarHBondContact O-N 2.83Å |
| 456 | D | 97.3 | Very high | 94.2 | Very high | 17 Ų | 17 | 55.1 Ų | 55.1 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 132.1 | 174 | -78.6 | -11.1 | 0 | 0 | 0 | 110.4 | R363 I364 S452 I453 T502 | R363-D456 CarbonylContact C-O 3.58Å; R363-D456 VanDerWaalsContact CA-O 3.26Å; R363-D456 WeakPolarHBondContact CA-O 3.24Å; I364-D456 HydrophobicContact CB-CB 4.09Å; I364-D456 HydrophobicContact CG1-CB 3.79Å; I364-D456 PolarHBondContact N-O 3.13Å; S452-D456 WeakPolarHBondContact CA-OD2 3.39Å; S452-D456 WeakPolarHBondContact CB-OD2 3.22Å; S452-D456 PolarHBondContact OG-OD2 2.8Å; S452-D456 VanDerWaalsContact OG-OD2 3.07Å; I453-D456 VanDerWaalsContact CG1-OD1 3.24Å; I453-D456 WeakPolarHBondContact CG1-OD1 3.2Å; I453-D456 PolarHBondContact N-OD2 3.07Å; I453-D456 PolarHBondContact O-N 2.95Å; D456-T502 HydrophobicContact CB-CG2 4.41Å |
| 457 | M | 96.6 | Very high | 93.9 | Very high | 103 Ų | 103 | 56.4 Ų | 56.4 | 51% | 0.507 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -79.3 | 131.5 | -177.7 | -66.1 | -177.2 | -72 | 0 | 0 | 110.6 | G455 R465 | G455-M457 PolarHBondContact O-N 2.83Å; M457-R465 VanDerWaalsContact SD-CZ 3.59Å; M457-R465 PolarHBondContact SD-NH1 3.19Å |
| 458 | V | 97.5 | Very high | 93.6 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -95.2 | 130.2 | 169.9 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | L362 I364 V413 L500 A501 T502 L507 | L362-V458 HydrophobicContact CB-CB 3.73Å; L362-V458 HydrophobicContact CB-CG1 4.27Å; L362-V458 HydrophobicContact CD1-CG1 4.35Å; L362-V458 PolarHBondContact O-N 3.41Å; I364-V458 HydrophobicContact CD1-CG2 3.44Å; I364-V458 VanDerWaalsContact CD1-CG2 3.44Å; I364-V458 HydrophobicContact CG1-CG2 4.18Å; V413-V458 HydrophobicContact CG1-CG2 4.17Å; V413-V458 HydrophobicContact CG2-CG2 4.38Å; V458-L500 HydrophobicContact CG1-CB 4.09Å; V458-A501 CarbonylContact C-O 3.42Å; V458-A501 VanDerWaalsContact CA-O 3.32Å; V458-A501 WeakPolarHBondContact CA-O 3.26Å; V458-T502 HydrophobicContact CG2-CG2 3.99Å; V458-L507 HydrophobicContact CG1-CD1 3.99Å; V458-L507 HydrophobicContact CG2-CD2 4.34Å |
| 459 | F | 95.6 | Very high | 93.2 | Very high | 78 Ų | 78 | 61 Ų | 61 | 34% | 0.342 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 161.4 | 176.9 | 58.6 | -91.5 | 0 | 0 | 0 | 110.5 | L500 A501 | F459-L500 CarbonylContact O-C 3.46Å; F459-L500 WeakPolarHBondContact O-CA 3.31Å; F459-A501 WeakPolarHBondContact CD1-O 3.33Å; F459-A501 HydrophobicContact CE2-CB 3.96Å; F459-A501 HydrophobicContact CZ-CB 4.01Å; F459-A501 PolarHBondContact N-O 2.89Å; F459-A501 PolarHBondContact O-N 2.7Å |
| 460 | A | 94.7 | Very high | 92.9 | Very high | 4 Ų | 4 | 64.1 Ų | 64.1 | 3% | 0.033 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 131.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V357 G462 I463 A498 K499 L500 | V357-A460 HydrophobicContact CG1-CB 3.4Å; V357-A460 HydrophobicContact CG2-CB 4.46Å; A460-G462 PolarHBondContact O-N 2.78Å; A460-I463 HydrophobicContact CB-CB 4.21Å; A460-I463 HydrophobicContact CB-CD1 3.95Å; A460-I463 HydrophobicContact CB-CG1 4.3Å; A460-I463 PolarHBondContact O-N 3.41Å; A460-A498 HydrophobicContact CB-CB 3.89Å; A460-K499 CarbonylContact C-O 3.54Å; A460-K499 WeakPolarHBondContact CA-O 3.43Å; A460-L500 HydrophobicContact CB-CD2 3.77Å |
| 461 | E | 92.3 | Very high | 92.7 | Very high | 92 Ų | 92 | 58.2 Ų | 58.2 | 43% | 0.43 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 128.9 | -178 | -69.4 | -173.9 | 123.3 | 0 | 0 | 111.7 | I463 A498 K499 L506 | E461-I463 PolarHBondContact O-N 3.35Å; E461-A498 WeakPolarHBondContact O-CB 3.23Å; E461-K499 PolarHBondContact N-O 3.26Å; E461-L506 HydrophobicContact CG-CD2 4.47Å |
| 462 | G | 87.2 | Confident | 92.3 | Very high | 86 Ų | 86 | 58.2 Ų | 58.2 | 89% | 0.887 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 0.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | A460 | A460-G462 PolarHBondContact O-N 2.78Š|
| 463 | I | 89.6 | Confident | 91.7 | Very high | 36 Ų | 36 | 61.3 Ų | 61.3 | 19% | 0.185 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -107.7 | 121 | 178.9 | -57.7 | -177.5 | 0 | 0 | 0 | 109.7 | V357 A460 E461 R465 W495 A498 | V357-I463 HydrophobicContact CG1-CB 4.32Å; V357-I463 HydrophobicContact CG1-CD1 3.67Å; V357-I463 HydrophobicContact CG1-CG2 3.98Å; A460-I463 HydrophobicContact CB-CB 4.21Å; A460-I463 HydrophobicContact CB-CD1 3.95Å; A460-I463 HydrophobicContact CB-CG1 4.3Å; A460-I463 PolarHBondContact O-N 3.41Å; E461-I463 PolarHBondContact O-N 3.35Å; I463-R465 PolarHBondContact O-N 2.9Å; I463-W495 HydrophobicContact CD1-CD2 4.4Å; I463-W495 HydrophobicContact CD1-CE3 3.26Å; I463-W495 HydrophobicContact CD1-CZ3 3.51Å; I463-A498 HydrophobicContact CD1-CB 3.63Å; I463-A498 HydrophobicContact CG1-CB 4.1Å |
| 464 | P | 85.5 | Confident | 91.1 | Very high | 89 Ų | 89 | 66.1 Ų | 66.1 | 58% | 0.578 | 37% | 0.37 | S | S | * | . | trans | -57.6 | 131.2 | 176 | -24.9 | 34.2 | 0 | 0 | 0 | 112.2 | G358 | G358-P464 WeakPolarHBondContact CA-O 3.35Š| ||
| 465 | R | 89.7 | Confident | 90.5 | Very high | 85 Ų | 85 | 70.4 Ų | 70.4 | 32% | 0.321 | 39% | 0.385 | S | S | . | . | trans | -87.6 | 123.8 | 175.1 | -178.6 | 174.7 | 177.2 | -75.9 | 1.3 | 110.3 | D361 M457 I463 | D361-R465 IonicContact OD1-NH2 3.9Å; D361-R465 PolarHBondContact OD1-NH2 3.3Å; M457-R465 VanDerWaalsContact SD-CZ 3.59Å; M457-R465 PolarHBondContact SD-NH1 3.19Å; I463-R465 PolarHBondContact O-N 2.9Å | ||
| 466 | N | 87.8 | Confident | 90.2 | Very high | 104 Ų | 104 | 75.7 Ų | 75.7 | 56% | 0.556 | 40% | 0.401 | S | S | * | . | trans | -152.3 | 74.2 | 175.4 | -176 | 35 | 0 | 0 | 0 | 109.6 | G358 | G358-N466 CarbonylContact O-C 3.24Å; G358-N466 PolarHBondContact O-N 3.36Å | ||
| 467 | P | 91.1 | Very high | 89.8 | Confident | 31 Ų | 31 | 75 Ų | 75 | 20% | 0.201 | 40% | 0.398 | C | S | . | . | trans | -65.1 | 138.9 | -172.1 | 26.8 | -36.2 | 0 | 0 | 0 | 112.1 | N359 D361 | N359-P467 WeakPolarHBondContact O-CA 3.26Å; D361-P467 HydrophobicContact CB-CB 3.83Å | ||
| 468 | D | 90 | Very high | 89.7 | Confident | 51 Ų | 51 | 71.4 Ų | 71.4 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | trans | -65 | 145.4 | 169.2 | -66.5 | -4.3 | 0 | 0 | 0 | 109.2 | N359 N417 V470 L471 | N359-D468 PolarHBondContact ND2-OD1 2.9Å; N359-D468 PolarHBondContact O-N 3.03Å; N417-D468 VanDerWaalsContact CB-O 3.26Å; N417-D468 WeakPolarHBondContact CB-O 3.47Å; N417-D468 PolarHBondContact ND2-O 2.96Å; D468-V470 VanDerWaalsContact C-N 3.3Å; D468-V470 PolarHBondContact O-N 2.91Å; D468-L471 HydrophobicContact CB-CD2 4.17Å | ||
| 469 | L | 87.3 | Confident | 89.5 | Confident | 119 Ų | 119 | 75.8 Ų | 75.8 | 62% | 0.623 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -58.5 | -44.6 | 173.2 | -72 | 179.3 | 0 | 0 | 0 | 111.7 | D153 | D153-L469 HydrophobicContact CB-CD1 3.8Å; D153-L469 VanDerWaalsContact OD2-CD1 3.32Å; D153-L469 WeakPolarHBondContact OD2-CD1 3.43Å |
| 470 | V | 91.8 | Very high | 89.3 | Confident | 80 Ų | 80 | 78 Ų | 78 | 49% | 0.485 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -143.3 | 123.6 | 171.3 | -178.6 | 0 | 0 | 0 | 0 | 107.7 | N417 K419 D468 N472 | N417-V470 CarbonylContact O-C 3.6Å; N417-V470 WeakPolarHBondContact O-CA 3.34Å; K419-V470 HydrophobicContact CB-CG1 3.83Å; K419-V470 HydrophobicContact CG-CG1 4.45Å; D468-V470 VanDerWaalsContact C-N 3.3Å; D468-V470 PolarHBondContact O-N 2.91Å; V470-N472 PolarHBondContact O-N 2.84Å |
| 471 | L | 91 | Very high | 89.3 | Confident | 6 Ų | 6 | 77.9 Ų | 77.9 | 3% | 0.031 | 41% | 0.407 | C | S | . | . | trans | -58.8 | 131.5 | 175.7 | -69.1 | 170.7 | 0 | 0 | 0 | 110.2 | L360 L415 N417 L418 D468 P473 W478 | L360-L471 HydrophobicContact CD2-CD1 3.62Å; L360-L471 HydrophobicContact CD2-CD2 4.1Å; L360-L471 HydrophobicContact CD2-CG 4.5Å; L415-L471 HydrophobicContact CD1-CD1 4.35Å; L415-L471 HydrophobicContact CD2-CD1 4.44Å; N417-L471 PolarHBondContact O-N 3.16Å; N417-L471 WeakPolarHBondContact OD1-CD1 3.2Å; L418-L471 HydrophobicContact CD2-CD1 3.99Å; D468-L471 HydrophobicContact CB-CD2 4.17Å; L471-P473 WeakPolarHBondContact O-CD 3.19Å; L471-W478 HydrophobicContact CD1-CB 4.32Å | ||
| 472 | N | 85.3 | Confident | 89.4 | Confident | 62 Ų | 62 | 75.5 Ų | 75.5 | 33% | 0.332 | 40% | 0.396 | S | S | . | . | trans | -76.3 | 108.6 | -175.4 | -173.1 | -24.9 | 0 | 0 | 0 | 111.7 | V470 K474 K475 S477 | V470-N472 PolarHBondContact O-N 2.84Å; N472-K474 VanDerWaalsContact C-N 3.26Å; N472-K474 PolarHBondContact O-N 3.11Å; N472-K474 WeakPolarHBondContact OD1-CB 3.37Å; N472-K474 PolarHBondContact OD1-N 2.78Å; N472-K475 HydrophobicContact CB-CB 4.19Å; N472-K475 HydrophobicContact CB-CD 4.33Å; N472-K475 HydrophobicContact CB-CG 4.26Å; N472-K475 PolarHBondContact O-N 2.78Å; N472-K475 VanDerWaalsContact O-N 3.11Å; N472-K475 PolarHBondContact OD1-N 2.71Å; N472-S477 PolarHBondContact O-OG 2.92Å | ||
| 473 | P | 83.7 | Confident | 89.7 | Confident | 81 Ų | 81 | 75 Ų | 75 | 53% | 0.526 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -66.6 | -29.4 | -176.9 | -18.3 | 33.6 | 0 | 0 | 0 | 112.3 | K419 L471 K475 K476 | K419-P473 HydrophobicContact CB-CG 4.34Å; K419-P473 HydrophobicContact CD-CG 4.35Å; L471-P473 WeakPolarHBondContact O-CD 3.19Å; P473-K475 VanDerWaalsContact C-N 3.25Å; P473-K475 PolarHBondContact O-N 2.78Å; P473-K476 PolarHBondContact O-N 3.46Å; P473-K476 VanDerWaalsContact O-N 3.16Å |
| 474 | K | 84.6 | Confident | 89.9 | Confident | 202 Ų | 202 | 76 Ų | 76 | 88% | 0.878 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -68.3 | -26 | 178.3 | -62.7 | -175.3 | 176.8 | -177.6 | 0 | 112.3 | N472 K476 | N472-K474 VanDerWaalsContact C-N 3.26Å; N472-K474 PolarHBondContact O-N 3.11Å; N472-K474 WeakPolarHBondContact OD1-CB 3.37Å; N472-K474 PolarHBondContact OD1-N 2.78Å; K474-K476 VanDerWaalsContact C-N 3.34Å |
| 475 | K | 85.3 | Confident | 90.4 | Very high | 126 Ų | 126 | 71.9 Ų | 71.9 | 55% | 0.548 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -87.4 | -4.6 | 176.5 | -71.4 | -172.4 | 176.1 | -174 | 0 | 113.3 | N472 P473 S477 K480 | N472-K475 HydrophobicContact CB-CB 4.19Å; N472-K475 HydrophobicContact CB-CD 4.33Å; N472-K475 HydrophobicContact CB-CG 4.26Å; N472-K475 PolarHBondContact O-N 2.78Å; N472-K475 VanDerWaalsContact O-N 3.11Å; N472-K475 PolarHBondContact OD1-N 2.71Å; P473-K475 VanDerWaalsContact C-N 3.25Å; P473-K475 PolarHBondContact O-N 2.78Å; K475-S477 PolarHBondContact O-N 2.84Å; K475-K480 WeakPolarHBondContact O-CE 3.46Å; K475-K480 PolarHBondContact O-NZ 2.83Å |
| 476 | K | 89.5 | Confident | 90.6 | Very high | 134 Ų | 134 | 71.9 Ų | 71.9 | 58% | 0.583 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 45.9 | -170.6 | -61.9 | -172.5 | 176.1 | -174.1 | 0 | 111.7 | P473 K474 E479 K480 | P473-K476 PolarHBondContact O-N 3.46Å; P473-K476 VanDerWaalsContact O-N 3.16Å; K474-K476 VanDerWaalsContact C-N 3.34Å; K476-E479 WeakPolarHBondContact CA-OE2 3.36Å; K476-E479 HydrophobicContact CB-CB 4.36Å; K476-E479 WeakPolarHBondContact CB-OE2 3.47Å; K476-K480 VanDerWaalsContact O-CG 3.32Å; K476-K480 WeakPolarHBondContact O-CG 3.06Å; K476-K480 PolarHBondContact O-N 2.82Å; K476-K480 VanDerWaalsContact O-N 3.11Å |
| 477 | S | 90.2 | Very high | 91 | Very high | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.9 | -45.6 | -170.1 | -68.3 | 0 | 0 | 0 | 0 | 112.2 | L355 N472 K475 K480 I481 | L355-S477 VanDerWaalsContact CD2-CB 3.45Å; L355-S477 VanDerWaalsContact CD2-O 3.29Å; L355-S477 WeakPolarHBondContact CD2-O 3.38Å; N472-S477 PolarHBondContact O-OG 2.92Å; K475-S477 PolarHBondContact O-N 2.84Å; S477-K480 PolarHBondContact O-N 3.5Å; S477-I481 WeakPolarHBondContact O-CG1 3.44Å; S477-I481 PolarHBondContact O-N 2.87Å; S477-I481 VanDerWaalsContact O-N 3.16Å |
| 478 | W | 93.7 | Very high | 91.1 | Very high | 28 Ų | 28 | 66.4 Ų | 66.4 | 11% | 0.106 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60 | -51.2 | 177.7 | 168.5 | -125.7 | 0 | 0 | 0 | 110.9 | L360 L415 L418 M431 L433 L471 K480 I481 Q482 L485 | L360-W478 HydrophobicContact CD1-CE3 4.19Å; L360-W478 HydrophobicContact CD1-CZ3 3.69Å; L360-W478 HydrophobicContact CD2-CE3 3.9Å; L360-W478 HydrophobicContact CD2-CZ3 4.23Å; L415-W478 HydrophobicContact CD2-CD2 3.86Å; L415-W478 HydrophobicContact CD2-CE3 3.56Å; L415-W478 HydrophobicContact CD2-CH2 3.95Å; L415-W478 HydrophobicContact CD2-CZ2 4.2Å; L415-W478 HydrophobicContact CD2-CZ3 3.63Å; L418-W478 HydrophobicContact CD2-CB 4.12Å; L418-W478 HydrophobicContact CD2-CG 4.18Å; M431-W478 HydrophobicContact SD-CZ2 3.94Å; L433-W478 HydrophobicContact CD2-CH2 3.73Å; L433-W478 HydrophobicContact CD2-CZ2 4.1Å; L471-W478 HydrophobicContact CD1-CB 4.32Å; W478-K480 VanDerWaalsContact C-N 3.29Å; W478-K480 PolarHBondContact O-N 3.4Å; W478-I481 PolarHBondContact O-N 2.88Å; W478-I481 VanDerWaalsContact O-N 3.11Å; W478-Q482 HydrophobicContact CD2-CB 3.97Å; W478-Q482 HydrophobicContact CD2-CG 4.5Å; W478-Q482 HydrophobicContact CE3-CB 4.01Å; W478-Q482 HydrophobicContact CH2-CB 3.97Å; W478-Q482 HydrophobicContact CH2-CG 3.87Å; W478-Q482 HydrophobicContact CZ2-CB 3.95Å; W478-Q482 HydrophobicContact CZ2-CG 3.61Å; W478-Q482 HydrophobicContact CZ3-CB 3.99Å; W478-Q482 HydrophobicContact CZ3-CG 4.4Å; W478-Q482 WeakPolarHBondContact O-CB 3.47Å; W478-Q482 PolarHBondContact O-N 2.98Å; W478-L485 HydrophobicContact CH2-CD1 3.9Å; W478-L485 HydrophobicContact CZ3-CD1 3.73Å |
| 479 | E | 93.6 | Very high | 91.1 | Very high | 94 Ų | 94 | 68.1 Ų | 68.1 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.1 | -37.9 | -176.4 | -60.7 | 85.9 | 163.4 | 0 | 0 | 112 | K476 A483 | K476-E479 WeakPolarHBondContact CA-OE2 3.36Å; K476-E479 HydrophobicContact CB-CB 4.36Å; K476-E479 WeakPolarHBondContact CB-OE2 3.47Å; E479-A483 PolarHBondContact O-N 3.36Å; E479-A483 VanDerWaalsContact O-N 3.11Å |
| 480 | K | 91.8 | Very high | 91.2 | Very high | 125 Ų | 125 | 66.1 Ų | 66.1 | 54% | 0.543 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.6 | -41.3 | 176 | -75.5 | 172 | 177.5 | 167.4 | 0 | 112.6 | L355 K475 K476 S477 W478 | L355-K480 HydrophobicContact CD2-CB 4.34Å; K475-K480 WeakPolarHBondContact O-CE 3.46Å; K475-K480 PolarHBondContact O-NZ 2.83Å; K476-K480 VanDerWaalsContact O-CG 3.32Å; K476-K480 WeakPolarHBondContact O-CG 3.06Å; K476-K480 PolarHBondContact O-N 2.82Å; K476-K480 VanDerWaalsContact O-N 3.11Å; S477-K480 PolarHBondContact O-N 3.5Å; W478-K480 VanDerWaalsContact C-N 3.29Å; W478-K480 PolarHBondContact O-N 3.4Å |
| 481 | I | 93.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -73.3 | -43.2 | 178.7 | -63.9 | 164 | 0 | 0 | 0 | 109.9 | L355 S356 V357 N359 L360 S477 W478 A483 D484 W495 | L355-I481 HydrophobicContact CB-CD1 4.4Å; L355-I481 HydrophobicContact CB-CG1 4.11Å; L355-I481 HydrophobicContact CD2-CD1 3.83Å; L355-I481 HydrophobicContact CD2-CG1 3.87Å; L355-I481 HydrophobicContact CG-CD1 4.37Å; L355-I481 HydrophobicContact CG-CG1 4.48Å; S356-I481 VanDerWaalsContact O-CD1 3.26Å; S356-I481 WeakPolarHBondContact O-CD1 3.37Å; V357-I481 HydrophobicContact CB-CG2 4.24Å; N359-I481 HydrophobicContact CB-CD1 4.02Å; L360-I481 HydrophobicContact CD1-CG2 3.64Å; L360-I481 HydrophobicContact CD2-CB 4.42Å; L360-I481 HydrophobicContact CD2-CD1 3.64Å; L360-I481 HydrophobicContact CD2-CG2 4.21Å; L360-I481 HydrophobicContact CG-CD1 4.1Å; L360-I481 HydrophobicContact CG-CG2 3.91Å; S477-I481 WeakPolarHBondContact O-CG1 3.44Å; S477-I481 PolarHBondContact O-N 2.87Å; S477-I481 VanDerWaalsContact O-N 3.16Å; W478-I481 PolarHBondContact O-N 2.88Å; W478-I481 VanDerWaalsContact O-N 3.11Å; I481-A483 VanDerWaalsContact C-N 3.28Å; I481-A483 PolarHBondContact O-N 2.49Å; I481-D484 PolarHBondContact O-N 2.92Å; I481-W495 PolarHBondContact O-NE1 3.24Å |
| 482 | Q | 95.1 | Very high | 91.5 | Very high | 43 Ų | 43 | 63 Ų | 63 | 20% | 0.201 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64 | -29.9 | -177.1 | -177.4 | -98.5 | -40.7 | 0 | 0 | 113.1 | W478 D484 L485 I517 | W478-Q482 HydrophobicContact CD2-CB 3.97Å; W478-Q482 HydrophobicContact CD2-CG 4.5Å; W478-Q482 HydrophobicContact CE3-CB 4.01Å; W478-Q482 HydrophobicContact CH2-CB 3.97Å; W478-Q482 HydrophobicContact CH2-CG 3.87Å; W478-Q482 HydrophobicContact CZ2-CB 3.95Å; W478-Q482 HydrophobicContact CZ2-CG 3.61Å; W478-Q482 HydrophobicContact CZ3-CB 3.99Å; W478-Q482 HydrophobicContact CZ3-CG 4.4Å; W478-Q482 WeakPolarHBondContact O-CB 3.47Å; W478-Q482 PolarHBondContact O-N 2.98Å; Q482-D484 PolarHBondContact O-N 3.24Å; Q482-D484 VanDerWaalsContact O-N 3.07Å; Q482-L485 PolarHBondContact O-N 3.31Å; Q482-I517 WeakPolarHBondContact CG-O 3.24Å; Q482-I517 PolarHBondContact NE2-O 3.46Å |
| 483 | A | 93 | Very high | 92.1 | Very high | 76 Ų | 76 | 60.1 Ų | 60.1 | 63% | 0.628 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -28.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E479 I481 | E479-A483 PolarHBondContact O-N 3.36Å; E479-A483 VanDerWaalsContact O-N 3.11Å; I481-A483 VanDerWaalsContact C-N 3.28Å; I481-A483 PolarHBondContact O-N 2.49Å |
| 484 | D | 93.6 | Very high | 92.7 | Very high | 57 Ų | 57 | 56.4 Ų | 56.4 | 31% | 0.305 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -3.3 | 179.4 | -76 | -40.5 | 0 | 0 | 0 | 113.3 | I481 Q482 W495 K496 | I481-D484 PolarHBondContact O-N 2.92Å; Q482-D484 PolarHBondContact O-N 3.24Å; Q482-D484 VanDerWaalsContact O-N 3.07Å; D484-W495 HydrophobicContact CB-CD2 4.41Å; D484-W495 HydrophobicContact CB-CG 4.33Å; D484-W495 WeakPolarHBondContact O-CA 3.42Å; D484-K496 HydrophobicContact CB-CG 3.74Å; D484-K496 PolarHBondContact O-N 2.85Å; D484-K496 WeakPolarHBondContact OD2-CE 3.5Å; D484-K496 IonicContact OD2-NZ 3.08Å |
| 485 | L | 95.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 112.4 | 175.7 | -75.4 | 176.7 | 0 | 0 | 0 | 110.6 | V357 L360 W478 Q482 S494 W495 L500 I517 | V357-L485 HydrophobicContact CG2-CD2 4.08Å; L360-L485 HydrophobicContact CD1-CD1 3.92Å; W478-L485 HydrophobicContact CH2-CD1 3.9Å; W478-L485 HydrophobicContact CZ3-CD1 3.73Å; Q482-L485 PolarHBondContact O-N 3.31Å; L485-S494 WeakPolarHBondContact CA-O 3.2Å; L485-W495 HydrophobicContact CD2-CB 3.72Å; L485-W495 HydrophobicContact CD2-CG 4.08Å; L485-L500 HydrophobicContact CD2-CD1 4.32Å; L485-I517 HydrophobicContact CB-CB 4.04Å; L485-I517 PolarHBondContact O-N 3.25Å |
| 486 | K | 95.8 | Very high | 93.4 | Very high | 84 Ų | 84 | 45.8 Ų | 45.8 | 37% | 0.365 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 162.8 | -177 | 64.7 | -172.5 | 177.9 | -171.6 | 0 | 113.1 | S494 A515 | K486-S494 PolarHBondContact N-O 2.83Å; K486-S494 PolarHBondContact O-N 3.17Å; K486-S494 VanDerWaalsContact O-O 3.06Å; K486-A515 CarbonylContact C-O 3.53Å; K486-A515 VanDerWaalsContact CA-O 3.23Å; K486-A515 WeakPolarHBondContact CA-O 3.33Å; K486-A515 WeakPolarHBondContact CB-O 3.43Å |
| 487 | I | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 122.4 | 163.2 | -55.5 | -55.1 | 0 | 0 | 0 | 108 | A435 I446 P493 L512 L513 L514 A515 I517 | A435-I487 HydrophobicContact CB-CD1 3.98Å; A435-I487 HydrophobicContact CB-CG1 3.61Å; I446-I487 HydrophobicContact CD1-CD1 3.77Å; I487-P493 HydrophobicContact CD1-CB 4.06Å; I487-P493 HydrophobicContact CD1-CG 3.88Å; I487-L512 VanDerWaalsContact CB-O 3.31Å; I487-L512 WeakPolarHBondContact CB-O 3.4Å; I487-L513 HydrophobicContact CG2-CD2 4.5Å; I487-L514 WeakPolarHBondContact O-CA 3.42Å; I487-L514 PolarHBondContact O-N 2.92Å; I487-A515 HydrophobicContact CG1-CB 4.39Å; I487-A515 PolarHBondContact N-O 2.81Å; I487-I517 HydrophobicContact CD1-CD1 4.14Å; I487-I517 HydrophobicContact CD1-CG1 4.17Å |
| 488 | S | 91.5 | Very high | 93.6 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 15% | 0.147 | 26% | 0.256 | C | S | . | . | trans | -64.9 | 168.3 | 176.6 | 65 | 0 | 0 | 0 | 0 | 112.2 | T490 G491 H492 | S488-T490 PolarHBondContact O-N 3.12Å; S488-T490 VanDerWaalsContact O-N 3.08Å; S488-T490 PolarHBondContact OG-OG1 3.13Å; S488-T490 VanDerWaalsContact OG-OG1 3.13Å; S488-G491 PolarHBondContact O-N 2.72Å; S488-H492 WeakPolarHBondContact CB-O 3.41Å; S488-H492 PolarHBondContact N-O 2.87Å; S488-H492 PolarHBondContact OG-N 3.49Å; S488-H492 PolarHBondContact OG-O 3.09Å | ||
| 489 | S | 89.9 | Confident | 93.7 | Very high | 86 Ų | 86 | 49.6 Ų | 49.6 | 60% | 0.601 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16.9 | 173.5 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 490 | T | 89.5 | Confident | 93.9 | Very high | 78 Ų | 78 | 45.3 Ų | 45.3 | 48% | 0.479 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 4.7 | 177.1 | 60.6 | 0 | 0 | 0 | 0 | 113.2 | S488 H492 | S488-T490 PolarHBondContact O-N 3.12Å; S488-T490 VanDerWaalsContact O-N 3.08Å; S488-T490 PolarHBondContact OG-OG1 3.13Å; S488-T490 VanDerWaalsContact OG-OG1 3.13Å; T490-H492 PolarHBondContact OG1-CD2 3.32Å |
| 491 | G | 94.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 89.9 | -4.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | S488 R509 S510 | S488-G491 PolarHBondContact O-N 2.72Å; G491-R509 CarbonylContact O-C 3.29Å; G491-R509 WeakPolarHBondContact O-CA 3.24Å; G491-S510 WeakPolarHBondContact CA-O 3.4Å; G491-S510 PolarHBondContact O-N 3.3Å |
| 492 | H | 95.5 | Very high | 94.2 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 8% | 0.083 | 22% | 0.223 | C | C | . | . | trans | -79.2 | 128.6 | -179.7 | -69.1 | -70.3 | 0 | 0 | 0 | 112.3 | S488 T490 S494 K499 R509 | S488-H492 WeakPolarHBondContact CB-O 3.41Å; S488-H492 PolarHBondContact N-O 2.87Å; S488-H492 PolarHBondContact OG-N 3.49Å; S488-H492 PolarHBondContact OG-O 3.09Å; T490-H492 PolarHBondContact OG1-CD2 3.32Å; H492-S494 PolarHBondContact O-N 3.39Å; H492-S494 PolarHBondContact O-OG 2.97Å; H492-K499 HydrophobicContact CB-CD 4.37Å; H492-K499 HydrophobicContact CB-CG 4.23Å; H492-R509 PolarHBondContact CE1-NE 2.9Å; H492-R509 VanDerWaalsContact CE1-NE 3.32Å; H492-R509 PolarHBondContact NE2-NE 3.05Å | ||
| 493 | P | 97.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 125.3 | 166 | -20.8 | 32.8 | 0 | 0 | 0 | 110.3 | I446 I487 L500 L507 K508 I517 | I446-P493 HydrophobicContact CD1-CG 4.39Å; I446-P493 HydrophobicContact CG2-CB 4.23Å; I446-P493 HydrophobicContact CG2-CG 4Å; I487-P493 HydrophobicContact CD1-CB 4.06Å; I487-P493 HydrophobicContact CD1-CG 3.88Å; P493-L500 HydrophobicContact CB-CB 4.42Å; P493-L500 HydrophobicContact CB-CD1 4.18Å; P493-L500 PolarHBondContact O-N 3.44Å; P493-L507 HydrophobicContact CB-CB 4.46Å; P493-L507 HydrophobicContact CB-CD1 4.34Å; P493-L507 HydrophobicContact CG-CB 4Å; P493-K508 WeakPolarHBondContact CD-O 3.43Å; P493-I517 HydrophobicContact CB-CD1 3.91Å |
| 494 | S | 96.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 154 | -171.4 | -52.3 | 0 | 0 | 0 | 0 | 111.6 | L485 K486 H492 A498 | L485-S494 WeakPolarHBondContact CA-O 3.2Å; K486-S494 PolarHBondContact N-O 2.83Å; K486-S494 PolarHBondContact O-N 3.17Å; K486-S494 VanDerWaalsContact O-O 3.06Å; H492-S494 PolarHBondContact O-N 3.39Å; H492-S494 PolarHBondContact O-OG 2.97Å; S494-A498 CarbonylContact C-O 3.59Å; S494-A498 WeakPolarHBondContact CA-O 3.37Å; S494-A498 WeakPolarHBondContact CB-O 3.16Å |
| 495 | W | 95.3 | Very high | 94.3 | Very high | 17 Ų | 17 | 42.8 Ų | 42.8 | 6% | 0.064 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 117.9 | 162.4 | -173.7 | 74.3 | 0 | 0 | 0 | 109 | V357 I463 I481 D484 L485 D497 A498 | V357-W495 HydrophobicContact CB-CB 3.81Å; V357-W495 HydrophobicContact CB-CD2 3.71Å; V357-W495 HydrophobicContact CB-CE3 4.28Å; V357-W495 HydrophobicContact CB-CG 3.51Å; V357-W495 HydrophobicContact CG1-CB 3.82Å; V357-W495 HydrophobicContact CG1-CD2 3.72Å; V357-W495 HydrophobicContact CG1-CE3 3.78Å; V357-W495 HydrophobicContact CG1-CG 3.78Å; V357-W495 HydrophobicContact CG2-CB 4.04Å; V357-W495 HydrophobicContact CG2-CG 4.16Å; I463-W495 HydrophobicContact CD1-CD2 4.4Å; I463-W495 HydrophobicContact CD1-CE3 3.26Å; I463-W495 HydrophobicContact CD1-CZ3 3.51Å; I481-W495 PolarHBondContact O-NE1 3.24Å; D484-W495 HydrophobicContact CB-CD2 4.41Å; D484-W495 HydrophobicContact CB-CG 4.33Å; D484-W495 WeakPolarHBondContact O-CA 3.42Å; L485-W495 HydrophobicContact CD2-CB 3.72Å; L485-W495 HydrophobicContact CD2-CG 4.08Å; W495-D497 PolarHBondContact O-N 2.81Å; W495-D497 VanDerWaalsContact O-N 3.08Å; W495-A498 PolarHBondContact N-O 2.9Å; W495-A498 PolarHBondContact O-N 2.9Å |
| 496 | K | 90.9 | Very high | 94.4 | Very high | 88 Ų | 88 | 45.5 Ų | 45.5 | 38% | 0.383 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | -114 | -163.8 | -56.4 | -179.1 | 178.4 | 177.8 | 0 | 109.3 | D484 | D484-K496 HydrophobicContact CB-CG 3.74Å; D484-K496 PolarHBondContact O-N 2.85Å; D484-K496 WeakPolarHBondContact OD2-CE 3.5Å; D484-K496 IonicContact OD2-NZ 3.08Å |
| 497 | D | 88.8 | Confident | 94.4 | Very high | 154 Ų | 154 | 41.6 Ų | 41.6 | 82% | 0.824 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -5.7 | 177.7 | -56.1 | -47.8 | 0 | 0 | 0 | 113.2 | W495 | W495-D497 PolarHBondContact O-N 2.81Å; W495-D497 VanDerWaalsContact O-N 3.08Å |
| 498 | A | 93.3 | Very high | 94.5 | Very high | 17 Ų | 17 | 45.4 Ų | 45.4 | 14% | 0.14 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 117 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | A460 E461 I463 S494 W495 | A460-A498 HydrophobicContact CB-CB 3.89Å; E461-A498 WeakPolarHBondContact O-CB 3.23Å; I463-A498 HydrophobicContact CD1-CB 3.63Å; I463-A498 HydrophobicContact CG1-CB 4.1Å; S494-A498 CarbonylContact C-O 3.59Å; S494-A498 WeakPolarHBondContact CA-O 3.37Å; S494-A498 WeakPolarHBondContact CB-O 3.16Å; W495-A498 PolarHBondContact N-O 2.9Å; W495-A498 PolarHBondContact O-N 2.9Å |
| 499 | K | 96.5 | Very high | 94.6 | Very high | 73 Ų | 73 | 52.7 Ų | 52.7 | 32% | 0.317 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 145.4 | -178.9 | -57.9 | 172.7 | -168 | 151.4 | 0 | 110.4 | A460 E461 H492 L506 | A460-K499 CarbonylContact C-O 3.54Å; A460-K499 WeakPolarHBondContact CA-O 3.43Å; E461-K499 PolarHBondContact N-O 3.26Å; H492-K499 HydrophobicContact CB-CD 4.37Å; H492-K499 HydrophobicContact CB-CG 4.23Å; K499-L506 HydrophobicContact CB-CD2 3.91Å; K499-L506 HydrophobicContact CD-CD1 4.02Å; K499-L506 HydrophobicContact CD-CD2 4.17Å |
| 500 | L | 97.5 | Very high | 94.7 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 136.7 | 174.7 | -58.2 | -176.8 | 0 | 0 | 0 | 110.5 | V357 V458 F459 A460 L485 P493 L507 | V357-L500 HydrophobicContact CG2-CD2 4.27Å; V458-L500 HydrophobicContact CG1-CB 4.09Å; F459-L500 CarbonylContact O-C 3.46Å; F459-L500 WeakPolarHBondContact O-CA 3.31Å; A460-L500 HydrophobicContact CB-CD2 3.77Å; L485-L500 HydrophobicContact CD2-CD1 4.32Å; P493-L500 HydrophobicContact CB-CB 4.42Å; P493-L500 HydrophobicContact CB-CD1 4.18Å; P493-L500 PolarHBondContact O-N 3.44Å; L500-L507 HydrophobicContact CB-CD1 3.56Å; L500-L507 HydrophobicContact CB-CG 3.95Å; L500-L507 HydrophobicContact CD1-CD1 4.19Å; L500-L507 WeakPolarHBondContact O-CG 3.33Å; L500-L507 PolarHBondContact O-N 3.3Å |
| 501 | A | 96.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.033 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 161.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V458 F459 G505 L506 | V458-A501 CarbonylContact C-O 3.42Å; V458-A501 VanDerWaalsContact CA-O 3.32Å; V458-A501 WeakPolarHBondContact CA-O 3.26Å; F459-A501 WeakPolarHBondContact CD1-O 3.33Å; F459-A501 HydrophobicContact CE2-CB 3.96Å; F459-A501 HydrophobicContact CZ-CB 4.01Å; F459-A501 PolarHBondContact N-O 2.89Å; F459-A501 PolarHBondContact O-N 2.7Å; A501-G505 CarbonylContact C-O 3.58Å; A501-G505 WeakPolarHBondContact CA-O 3.3Å; A501-L506 HydrophobicContact CB-CD2 4Å |
| 502 | T | 96.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.025 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | -179.1 | 160.5 | 69.1 | 0 | 0 | 0 | 0 | 109.2 | I364 P449 D456 V458 K504 G505 L507 | I364-T502 HydrophobicContact CD1-CG2 4.06Å; I364-T502 HydrophobicContact CG1-CG2 3.9Å; P449-T502 HydrophobicContact CG-CG2 4.45Å; P449-T502 VanDerWaalsContact CG-OG1 3.22Å; P449-T502 WeakPolarHBondContact CG-OG1 3.33Å; D456-T502 HydrophobicContact CB-CG2 4.41Å; V458-T502 HydrophobicContact CG2-CG2 3.99Å; T502-K504 PolarHBondContact O-N 3.48Å; T502-K504 PolarHBondContact OG1-N 3.12Å; T502-K504 VanDerWaalsContact OG1-N 3.13Å; T502-G505 PolarHBondContact N-O 3.08Å; T502-G505 PolarHBondContact O-N 3.07Å; T502-L507 HydrophobicContact CG2-CD2 4.14Å |
| 503 | D | 93.1 | Very high | 94.5 | Very high | 104 Ų | 104 | 52.3 Ų | 52.3 | 56% | 0.556 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -17.3 | 169.9 | 72.1 | -33.3 | 0 | 0 | 0 | 113.1 | ||
| 504 | K | 94.9 | Very high | 94 | Very high | 106 Ų | 106 | 57.9 Ų | 57.9 | 46% | 0.461 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -8.6 | 176.9 | -51.2 | -47.8 | -178.3 | -146.5 | 0 | 113.8 | P449 T502 | P449-K504 HydrophobicContact CB-CB 4.42Å; P449-K504 HydrophobicContact CG-CB 3.94Å; T502-K504 PolarHBondContact O-N 3.48Å; T502-K504 PolarHBondContact OG1-N 3.12Å; T502-K504 VanDerWaalsContact OG1-N 3.13Å |
| 505 | G | 95.4 | Very high | 93.9 | Very high | 31 Ų | 31 | 57.9 Ų | 57.9 | 32% | 0.32 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 133.3 | -171.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A501 T502 | A501-G505 CarbonylContact C-O 3.58Å; A501-G505 WeakPolarHBondContact CA-O 3.3Å; T502-G505 PolarHBondContact N-O 3.08Å; T502-G505 PolarHBondContact O-N 3.07Å |
| 506 | L | 96.5 | Very high | 93.9 | Very high | 59 Ų | 59 | 59 Ų | 59 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 144.6 | 178.9 | -62.3 | 178.4 | 0 | 0 | 0 | 111.2 | E461 K499 A501 | E461-L506 HydrophobicContact CG-CD2 4.47Å; K499-L506 HydrophobicContact CB-CD2 3.91Å; K499-L506 HydrophobicContact CD-CD1 4.02Å; K499-L506 HydrophobicContact CD-CD2 4.17Å; A501-L506 HydrophobicContact CB-CD2 4Å |
| 507 | L | 97.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 147.7 | 167.7 | -58.5 | -170.6 | 0 | 0 | 0 | 110.3 | I364 V413 I446 V458 P493 L500 T502 | I364-L507 HydrophobicContact CD1-CD2 4.46Å; V413-L507 HydrophobicContact CG2-CD1 3.96Å; V413-L507 HydrophobicContact CG2-CD2 4.46Å; I446-L507 HydrophobicContact CG2-CD1 3.62Å; V458-L507 HydrophobicContact CG1-CD1 3.99Å; V458-L507 HydrophobicContact CG2-CD2 4.34Å; P493-L507 HydrophobicContact CB-CB 4.46Å; P493-L507 HydrophobicContact CB-CD1 4.34Å; P493-L507 HydrophobicContact CG-CB 4Å; L500-L507 HydrophobicContact CB-CD1 3.56Å; L500-L507 HydrophobicContact CB-CG 3.95Å; L500-L507 HydrophobicContact CD1-CD1 4.19Å; L500-L507 WeakPolarHBondContact O-CG 3.33Å; L500-L507 PolarHBondContact O-N 3.3Å; T502-L507 HydrophobicContact CG2-CD2 4.14Å |
| 508 | K | 96.8 | Very high | 94.2 | Very high | 79 Ų | 79 | 52.1 Ų | 52.1 | 34% | 0.343 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 147.4 | -176.2 | -71.4 | 179.6 | 179.6 | -179.9 | 0 | 110.8 | E447 P448 D450 P493 | E447-K508 HydrophobicContact CB-CB 4.02Å; E447-K508 HydrophobicContact CB-CD 3.97Å; E447-K508 HydrophobicContact CB-CG 4.39Å; E447-K508 PolarHBondContact O-N 2.79Å; P448-K508 WeakPolarHBondContact O-CD 3.16Å; P448-K508 WeakPolarHBondContact O-CE 3.46Å; P448-K508 WeakPolarHBondContact O-CG 3.32Å; D450-K508 WeakPolarHBondContact OD1-CE 3.34Å; D450-K508 IonicContact OD1-NZ 2.77Å; D450-K508 PolarHBondContact OD1-NZ 3.13Å; P493-K508 WeakPolarHBondContact CD-O 3.43Å |
| 509 | R | 95 | Very high | 94.3 | Very high | 175 Ų | 175 | 53.9 Ų | 53.9 | 66% | 0.66 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 140.3 | 178.4 | -65.6 | -176.3 | -174 | -175.1 | 4.8 | 110.7 | G491 H492 | G491-R509 CarbonylContact O-C 3.29Å; G491-R509 WeakPolarHBondContact O-CA 3.24Å; H492-R509 PolarHBondContact CE1-NE 2.9Å; H492-R509 VanDerWaalsContact CE1-NE 3.32Å; H492-R509 PolarHBondContact NE2-NE 3.05Å |
| 510 | S | 92.2 | Very high | 94.2 | Very high | 16 Ų | 16 | 52.8 Ų | 52.8 | 11% | 0.112 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -103 | 138.3 | 169.4 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | G491 L512 | G491-S510 WeakPolarHBondContact CA-O 3.4Å; G491-S510 PolarHBondContact O-N 3.3Å; S510-L512 PolarHBondContact O-N 3.3Å; S510-L512 WeakPolarHBondContact OG-CB 3.33Å; S510-L512 PolarHBondContact OG-N 3.3Å; S510-L512 VanDerWaalsContact OG-N 3.15Å |
| 511 | G | 91.4 | Very high | 94 | Very high | 72 Ų | 72 | 55.5 Ų | 55.5 | 74% | 0.742 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -70.2 | -10 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L513 | G511-L513 PolarHBondContact O-N 3.45Š|
| 512 | L | 91.5 | Very high | 93.8 | Very high | 14 Ų | 14 | 58.5 Ų | 58.5 | 7% | 0.073 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -81.4 | 62 | 179.6 | -150.3 | 76.5 | 0 | 0 | 0 | 111.3 | A435 R437 Q442 I487 S510 L514 A515 | A435-L512 HydrophobicContact CB-CB 4.25Å; A435-L512 HydrophobicContact CB-CD2 3.85Å; A435-L512 WeakPolarHBondContact O-CD2 3.27Å; R437-L512 HydrophobicContact CB-CD2 4.35Å; Q442-L512 HydrophobicContact CB-CD1 3.51Å; Q442-L512 HydrophobicContact CB-CD2 4.42Å; Q442-L512 HydrophobicContact CG-CD1 4.28Å; I487-L512 VanDerWaalsContact CB-O 3.31Å; I487-L512 WeakPolarHBondContact CB-O 3.4Å; S510-L512 PolarHBondContact O-N 3.3Å; S510-L512 WeakPolarHBondContact OG-CB 3.33Å; S510-L512 PolarHBondContact OG-N 3.3Å; S510-L512 VanDerWaalsContact OG-N 3.15Å; L512-L514 PolarHBondContact O-N 3.4Å; L512-A515 HydrophobicContact CB-CB 4.05Å; L512-A515 HydrophobicContact CD2-CB 3.44Å; L512-A515 VanDerWaalsContact CD2-CB 3.44Å; L512-A515 HydrophobicContact CG-CB 3.58Å; L512-A515 WeakPolarHBondContact O-CB 3.36Å; L512-A515 PolarHBondContact O-N 3.01Å |
| 513 | L | 90.4 | Very high | 93.7 | Very high | 73 Ų | 73 | 61.9 Ų | 61.9 | 38% | 0.382 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 138.1 | -174.8 | -55.9 | -177.3 | 0 | 0 | 0 | 112.1 | I487 G511 A515 | I487-L513 HydrophobicContact CG2-CD2 4.5Å; G511-L513 PolarHBondContact O-N 3.45Å; L513-A515 PolarHBondContact O-N 3.28Å; L513-A515 VanDerWaalsContact O-N 3.09Å |
| 514 | L | 87.9 | Confident | 93.7 | Very high | 120 Ų | 120 | 59.1 Ų | 59.1 | 63% | 0.628 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 6.9 | 178.9 | -50.8 | 171.7 | 0 | 0 | 0 | 114.8 | I487 L512 | I487-L514 WeakPolarHBondContact O-CA 3.42Å; I487-L514 PolarHBondContact O-N 2.92Å; L512-L514 PolarHBondContact O-N 3.4Å |
| 515 | A | 93.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 143.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A435 S436 K486 I487 L512 L513 | A435-A515 HydrophobicContact CB-CB 4.2Å; S436-A515 WeakPolarHBondContact O-CB 3.28Å; K486-A515 CarbonylContact C-O 3.53Å; K486-A515 VanDerWaalsContact CA-O 3.23Å; K486-A515 WeakPolarHBondContact CA-O 3.33Å; K486-A515 WeakPolarHBondContact CB-O 3.43Å; I487-A515 HydrophobicContact CG1-CB 4.39Å; I487-A515 PolarHBondContact N-O 2.81Å; L512-A515 HydrophobicContact CB-CB 4.05Å; L512-A515 HydrophobicContact CD2-CB 3.44Å; L512-A515 VanDerWaalsContact CD2-CB 3.44Å; L512-A515 HydrophobicContact CG-CB 3.58Å; L512-A515 WeakPolarHBondContact O-CB 3.36Å; L512-A515 PolarHBondContact O-N 3.01Å; L513-A515 PolarHBondContact O-N 3.28Å; L513-A515 VanDerWaalsContact O-N 3.09Å |
| 516 | A | 94.3 | Very high | 93.5 | Very high | 40 Ų | 40 | 57.7 Ų | 57.7 | 33% | 0.331 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 140.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | S436 | S436-A516 PolarHBondContact N-O 2.8Å; S436-A516 PolarHBondContact O-N 3.24Å; S436-A516 PolarHBondContact OG-O 2.66Å |
| 517 | I | 96.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 124.2 | 171.2 | -57.6 | 170.1 | 0 | 0 | 0 | 107.2 | L433 C434 I446 Q482 L485 I487 P493 | L433-I517 HydrophobicContact CB-CG2 3.97Å; L433-I517 HydrophobicContact CD1-CG2 4.25Å; C434-I517 CarbonylContact O-C 3.58Å; C434-I517 VanDerWaalsContact O-CA 3.29Å; C434-I517 WeakPolarHBondContact O-CA 3.24Å; I446-I517 HydrophobicContact CD1-CD1 4.24Å; I446-I517 HydrophobicContact CD1-CG1 4.1Å; I446-I517 HydrophobicContact CD1-CG2 4.44Å; I446-I517 HydrophobicContact CG1-CG2 4.1Å; Q482-I517 WeakPolarHBondContact CG-O 3.24Å; Q482-I517 PolarHBondContact NE2-O 3.46Å; L485-I517 HydrophobicContact CB-CB 4.04Å; L485-I517 PolarHBondContact O-N 3.25Å; I487-I517 HydrophobicContact CD1-CD1 4.14Å; I487-I517 HydrophobicContact CD1-CG1 4.17Å; P493-I517 HydrophobicContact CB-CD1 3.91Å |
| 518 | K | 91.5 | Very high | 92.8 | Very high | 95 Ų | 95 | 62.6 Ų | 62.6 | 41% | 0.413 | 34% | 0.338 | S | S | . | . | trans | -148.7 | 0 | -179.6 | 71.7 | -166.5 | -171.1 | -149.8 | 0 | 112.6 | C434 S436 D438 | C434-K518 PolarHBondContact N-O 2.82Å; C434-K518 PolarHBondContact O-N 3.26Å; S436-K518 WeakPolarHBondContact OG-CD 3.17Å; S436-K518 WeakPolarHBondContact OG-CE 3.39Å; S436-K518 WeakPolarHBondContact OG-CG 2.91Å; S436-K518 PolarHBondContact OG-NZ 2.86Å; D438-K518 IonicContact OD1-NZ 3.35Å; D438-K518 PolarHBondContact OD1-NZ 2.85Å |
Retrieved 518 of 518 residues in 459.8 ms
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