| 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 | 90.3 | Very high | 95.4 | Very high | 62 Ų | 62 | 86 Ų | 86 | 31% | 0.305 | 40% | 0.398 | S | S | . | . | 0 | -46.8 | 0 | -160.9 | 174.6 | -71 | 0 | 0 | 112.8 | I59 F71 Q73 Y79 V167 | M1-I59 HydrophobicContact CG-CD1 3.59Å; M1-I59 HydrophobicContact CG-CG1 4.15Å; M1-I59 HydrophobicContact SD-CD1 4.04Å; M1-I59 HydrophobicContact SD-CG1 3.97Å; M1-F71 HydrophobicContact CE-CE2 4.21Å; M1-F71 HydrophobicContact SD-CD2 3.78Å; M1-F71 HydrophobicContact SD-CE2 3.74Å; M1-Q73 HydrophobicContact CE-CB 3.84Å; M1-Q73 HydrophobicContact SD-CB 4.2Å; M1-Y79 HydrophobicContact CE-CE2 4.41Å; M1-V167 WeakPolarHBondContact CA-O 3.44Å; M1-V167 WeakPolarHBondContact CB-O 3.41Å; M1-V167 PolarHBondContact N-O 2.72Å | |||
| 2 | F | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 84.9 Ų | 84.9 | 0% | 0 | 41% | 0.408 | C | S | . | . | trans | -105.1 | 20.2 | -169.7 | -58.2 | -86.6 | 0 | 0 | 0 | 116.3 | K4 F5 I59 F71 H168 D172 G173 L174 | F2-K4 VanDerWaalsContact C-N 3.32Å; F2-K4 PolarHBondContact O-N 2.91Å; F2-F5 HydrophobicContact CB-CB 3.9Å; F2-F5 HydrophobicContact CD1-CB 3.9Å; F2-F5 HydrophobicContact CD1-CD1 4.22Å; F2-F5 AromaticContact CD1-CD2 3.96Å; F2-F5 HydrophobicContact CD1-CD2 3.96Å; F2-F5 AromaticContact CD1-CG 3.76Å; F2-F5 HydrophobicContact CD1-CG 3.76Å; F2-F5 HydrophobicContact CE1-CD2 4.41Å; F2-F5 HydrophobicContact CG-CB 4.42Å; F2-F5 WeakPolarHBondContact O-CB 3.4Å; F2-F5 PolarHBondContact O-N 3.17Å; F2-I59 HydrophobicContact CE1-CD1 4.06Å; F2-I59 HydrophobicContact CE1-CG2 3.71Å; F2-I59 HydrophobicContact CZ-CD1 4.39Å; F2-I59 HydrophobicContact CZ-CG2 3.73Å; F2-F71 HydrophobicContact CE2-CD1 4.2Å; F2-F71 AromaticContact CE2-CD2 3.54Å; F2-F71 HydrophobicContact CE2-CD2 3.54Å; F2-F71 HydrophobicContact CE2-CE1 4.21Å; F2-F71 AromaticContact CE2-CE2 3.56Å; F2-F71 HydrophobicContact CE2-CE2 3.56Å; F2-F71 AromaticContact CE2-CG 3.87Å; F2-F71 HydrophobicContact CE2-CG 3.87Å; F2-F71 AromaticContact CE2-CZ 3.9Å; F2-F71 HydrophobicContact CE2-CZ 3.9Å; F2-F71 HydrophobicContact CZ-CB 4.15Å; F2-F71 HydrophobicContact CZ-CD1 4.47Å; F2-F71 AromaticContact CZ-CD2 3.68Å; F2-F71 HydrophobicContact CZ-CD2 3.68Å; F2-F71 HydrophobicContact CZ-CE2 4.19Å; F2-F71 AromaticContact CZ-CG 3.84Å; F2-F71 HydrophobicContact CZ-CG 3.84Å; F2-H168 HydrophobicContact CD2-CB 4.23Å; F2-D172 HydrophobicContact CB-CB 4.27Å; F2-G173 PolarHBondContact O-N 2.8Å; F2-L174 HydrophobicContact CB-CB 3.95Å; F2-L174 HydrophobicContact CD1-CB 3.72Å; F2-L174 HydrophobicContact CD1-CD2 4.47Å; F2-L174 HydrophobicContact CD2-CB 3.93Å; F2-L174 HydrophobicContact CD2-CD2 3.96Å; F2-L174 HydrophobicContact CE1-CB 4.14Å; F2-L174 HydrophobicContact CE1-CD1 4.4Å; F2-L174 HydrophobicContact CE1-CD2 4.14Å; F2-L174 HydrophobicContact CE1-CG 4.47Å; F2-L174 HydrophobicContact CE2-CB 4.38Å; F2-L174 HydrophobicContact CE2-CD2 3.63Å; F2-L174 HydrophobicContact CG-CB 3.6Å; F2-L174 HydrophobicContact CG-CD2 4.38Å; F2-L174 HydrophobicContact CZ-CB 4.48Å; F2-L174 HydrophobicContact CZ-CD2 3.74Å | ||
| 3 | K | 94.9 | Very high | 95.5 | Very high | 133 Ų | 133 | 83.7 Ų | 83.7 | 58% | 0.578 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -37.5 | -175.3 | 176.5 | 164.6 | -177.5 | 167.2 | 0 | 113.7 | S107 Y169 | K3-S107 WeakPolarHBondContact CE-O 3.39Å; K3-S107 PolarHBondContact NZ-O 2.81Å; K3-Y169 HydrophobicContact CB-CE1 4.22Å; K3-Y169 WeakPolarHBondContact CG-OH 3.48Å |
| 4 | K | 94.9 | Very high | 95.6 | Very high | 195 Ų | 195 | 80.6 Ų | 80.6 | 85% | 0.848 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 12.7 | 178.2 | -64.8 | -174.7 | 176.5 | -177.6 | 0 | 112.4 | F2 N10 | F2-K4 VanDerWaalsContact C-N 3.32Å; F2-K4 PolarHBondContact O-N 2.91Å; K4-N10 PolarHBondContact O-OD1 2.76Å |
| 5 | F | 97.2 | Very high | 95.7 | Very high | 21 Ų | 21 | 79.1 Ų | 79.1 | 9% | 0.092 | 39% | 0.389 | C | S | . | . | trans | -74.5 | 128.1 | -178.4 | 177.9 | -90.4 | 0 | 0 | 0 | 109.9 | F2 E7 N10 V11 C55 I61 G173 M177 | F2-F5 HydrophobicContact CB-CB 3.9Å; F2-F5 HydrophobicContact CD1-CB 3.9Å; F2-F5 HydrophobicContact CD1-CD1 4.22Å; F2-F5 AromaticContact CD1-CD2 3.96Å; F2-F5 HydrophobicContact CD1-CD2 3.96Å; F2-F5 AromaticContact CD1-CG 3.76Å; F2-F5 HydrophobicContact CD1-CG 3.76Å; F2-F5 HydrophobicContact CE1-CD2 4.41Å; F2-F5 HydrophobicContact CG-CB 4.42Å; F2-F5 WeakPolarHBondContact O-CB 3.4Å; F2-F5 PolarHBondContact O-N 3.17Å; F5-E7 HydrophobicContact CE1-CB 4.25Å; F5-N10 WeakPolarHBondContact CA-OD1 3.49Å; F5-N10 HydrophobicContact CD2-CB 3.75Å; F5-N10 HydrophobicContact CE2-CB 3.75Å; F5-V11 HydrophobicContact CZ-CG2 4.06Å; F5-C55 HydrophobicContact CE2-CB 3.91Å; F5-I61 HydrophobicContact CZ-CD1 4.47Å; F5-G173 WeakPolarHBondContact O-CA 3.43Å; F5-M177 HydrophobicContact CE1-CB 4.35Å; F5-M177 HydrophobicContact CE1-SD 3.83Å; F5-M177 HydrophobicContact CZ-SD 3.98Å | ||
| 6 | D | 96.6 | Very high | 95.8 | Very high | 69 Ų | 69 | 82.1 Ų | 82.1 | 37% | 0.369 | 40% | 0.401 | S | S | . | . | trans | -121.9 | 127.1 | 168.3 | -172.6 | -66.9 | 0 | 0 | 0 | 108.9 | K8 E9 N10 | D6-K8 PolarHBondContact O-N 2.92Å; D6-K8 WeakPolarHBondContact OD1-CA 3.5Å; D6-K8 VanDerWaalsContact OD1-CB 3.29Å; D6-K8 WeakPolarHBondContact OD1-CB 3.49Å; D6-K8 PolarHBondContact OD1-N 3.29Å; D6-E9 HydrophobicContact CB-CB 4.26Å; D6-E9 HydrophobicContact CB-CG 4.32Å; D6-E9 PolarHBondContact O-N 3.41Å; D6-N10 PolarHBondContact N-OD1 3.12Å; D6-N10 VanDerWaalsContact O-CB 3.3Å; D6-N10 WeakPolarHBondContact O-CB 3.46Å; D6-N10 PolarHBondContact O-N 2.89Å; D6-N10 PolarHBondContact O-OD1 3.14Å | ||
| 7 | E | 94.1 | Very high | 95.9 | Very high | 80 Ų | 80 | 78.7 Ų | 78.7 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.6 | -27.6 | -176.2 | 67.2 | 179.3 | 171.6 | 0 | 0 | 113.3 | F5 V11 M177 | F5-E7 HydrophobicContact CE1-CB 4.25Å; E7-V11 WeakPolarHBondContact O-CB 3.28Å; E7-V11 WeakPolarHBondContact O-CG2 3.38Å; E7-M177 HydrophobicContact CB-CB 4.22Å; E7-M177 HydrophobicContact CB-CG 3.9Å; E7-M177 HydrophobicContact CB-SD 4.28Å; E7-M177 WeakPolarHBondContact OE2-CG 3.4Å |
| 8 | K | 94.2 | Very high | 96 | Very high | 180 Ų | 180 | 83.2 Ų | 83.2 | 78% | 0.783 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -82.5 | -28 | -178.5 | -58.5 | 177.8 | -177.6 | 171.1 | 0 | 112.1 | D6 | D6-K8 PolarHBondContact O-N 2.92Å; D6-K8 WeakPolarHBondContact OD1-CA 3.5Å; D6-K8 VanDerWaalsContact OD1-CB 3.29Å; D6-K8 WeakPolarHBondContact OD1-CB 3.49Å; D6-K8 PolarHBondContact OD1-N 3.29Å |
| 9 | E | 96.3 | Very high | 95.9 | Very high | 142 Ų | 142 | 85.1 Ų | 85.1 | 66% | 0.664 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -101 | -25.9 | -175.8 | -60 | -172.8 | 175.7 | 0 | 0 | 113.1 | D6 H56 | D6-E9 HydrophobicContact CB-CB 4.26Å; D6-E9 HydrophobicContact CB-CG 4.32Å; D6-E9 PolarHBondContact O-N 3.41Å; E9-H56 PolarHBondContact O-CE1 2.99Å |
| 10 | N | 97.6 | Very high | 95.9 | Very high | 29 Ų | 29 | 85.3 Ų | 85.3 | 16% | 0.155 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -115.1 | -5 | -167.4 | -53.8 | 145.9 | 0 | 0 | 0 | 114.6 | K4 F5 D6 C55 H56 | K4-N10 PolarHBondContact O-OD1 2.76Å; F5-N10 WeakPolarHBondContact CA-OD1 3.49Å; F5-N10 HydrophobicContact CD2-CB 3.75Å; F5-N10 HydrophobicContact CE2-CB 3.75Å; D6-N10 PolarHBondContact N-OD1 3.12Å; D6-N10 VanDerWaalsContact O-CB 3.3Å; D6-N10 WeakPolarHBondContact O-CB 3.46Å; D6-N10 PolarHBondContact O-N 2.89Å; D6-N10 PolarHBondContact O-OD1 3.14Å; N10-C55 CarbonylContact O-C 3.49Å; N10-C55 WeakPolarHBondContact O-CA 3.39Å; N10-C55 WeakPolarHBondContact O-CB 3.18Å; N10-H56 HydrophobicContact CB-CB 4.37Å; N10-H56 PolarHBondContact ND2-ND1 2.89Å; N10-H56 PolarHBondContact O-N 3.35Å |
| 11 | V | 97.3 | Very high | 96 | Very high | 35 Ų | 35 | 84.4 Ų | 84.4 | 21% | 0.212 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 121 | 170.4 | 174.8 | 0 | 0 | 0 | 0 | 109.2 | F5 E7 V53 M177 Y180 | F5-V11 HydrophobicContact CZ-CG2 4.06Å; E7-V11 WeakPolarHBondContact O-CB 3.28Å; E7-V11 WeakPolarHBondContact O-CG2 3.38Å; V11-V53 HydrophobicContact CB-CG1 4.4Å; V11-V53 HydrophobicContact CG1-CG1 3.5Å; V11-V53 HydrophobicContact CG2-CG1 4.04Å; V11-M177 HydrophobicContact CG2-CE 4.22Å; V11-Y180 HydrophobicContact CG1-CE2 4.16Å |
| 12 | S | 96.3 | Very high | 96.3 | Very high | 73 Ų | 73 | 82.8 Ų | 82.8 | 51% | 0.51 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -49.7 | -178.4 | -51.5 | 0 | 0 | 0 | 0 | 112.3 | R54 H56 | S12-R54 PolarHBondContact N-O 2.8Å; S12-H56 PolarHBondContact OG-CD2 2.84Å; S12-H56 VanDerWaalsContact OG-CD2 3.28Å |
| 13 | N | 96.1 | Very high | 96.3 | Very high | 69 Ų | 69 | 89.6 Ų | 89.6 | 37% | 0.369 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 177.7 | 176.2 | 75.1 | 12 | 0 | 0 | 0 | 111.9 | R54 | N13-R54 PolarHBondContact N-O 3.49Å; N13-R54 PolarHBondContact O-N 3.03Å; N13-R54 VanDerWaalsContact OD1-CB 3.27Å; N13-R54 WeakPolarHBondContact OD1-CB 3.34Å; N13-R54 VanDerWaalsContact OD1-CD 3.29Å; N13-R54 WeakPolarHBondContact OD1-CD 3.35Å; N13-R54 VanDerWaalsContact OD1-CG 3.31Å; N13-R54 WeakPolarHBondContact OD1-CG 3.3Å |
| 14 | C | 96.6 | Very high | 96.4 | Very high | 40 Ų | 40 | 85.2 Ų | 85.2 | 27% | 0.27 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 137.1 | 172 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | K51 I52 Y180 | C14-K51 VanDerWaalsContact SG-CB 3.55Å; C14-I52 WeakPolarHBondContact CA-O 3.03Å; C14-Y180 HydrophobicContact CB-CE1 3.52Å; C14-Y180 WeakPolarHBondContact CB-OH 3.35Å; C14-Y180 WeakPolarHBondContact SG-CE1 3.37Å |
| 15 | I | 97.1 | Very high | 96.4 | Very high | 59 Ų | 59 | 76.3 Ų | 76.3 | 30% | 0.303 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.9 | -173.7 | -55.3 | 175.3 | 0 | 0 | 0 | 108.8 | K51 I52 | I15-K51 CarbonylContact O-C 3.59Å; I15-K51 VanDerWaalsContact O-CA 3.26Å; I15-K51 WeakPolarHBondContact O-CA 3.11Å; I15-I52 PolarHBondContact N-O 3.41Å; I15-I52 PolarHBondContact O-N 2.91Å |
| 16 | Q | 97.6 | Very high | 96.4 | Very high | 126 Ų | 126 | 76.9 Ų | 76.9 | 59% | 0.589 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 130.8 | 169.8 | -175.7 | 173.4 | -31.5 | 0 | 0 | 110.4 | P49 | Q16-P49 HydrophobicContact CG-CB 4.23Å |
| 17 | L | 97.2 | Very high | 96.4 | Very high | 25 Ų | 25 | 77.3 Ų | 77.3 | 13% | 0.131 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 147 | -176.4 | -60.3 | -173.4 | 0 | 0 | 0 | 112.4 | V21 I22 I25 V50 I52 L62 | L17-V21 HydrophobicContact CD1-CG1 4.33Å; L17-V21 HydrophobicContact CD2-CG1 4.26Å; L17-I22 HydrophobicContact CB-CD1 4.14Å; L17-I22 HydrophobicContact CB-CG1 3.68Å; L17-I22 HydrophobicContact CD1-CG1 4.28Å; L17-I25 HydrophobicContact CD1-CD1 3.45Å; L17-I25 VanDerWaalsContact CD1-CD1 3.45Å; L17-V50 HydrophobicContact CD1-CG1 3.93Å; L17-V50 PolarHBondContact N-O 2.91Å; L17-I52 HydrophobicContact CD1-CD1 4.04Å; L17-I52 HydrophobicContact CD1-CG1 3.96Å; L17-I52 HydrophobicContact CD2-CB 4.36Å; L17-I52 HydrophobicContact CD2-CD1 3.87Å; L17-I52 HydrophobicContact CD2-CG1 3.94Å; L17-I52 HydrophobicContact CG-CD1 4.44Å; L17-I52 HydrophobicContact CG-CG1 4.18Å; L17-L62 HydrophobicContact CD1-CD1 4.05Å |
| 18 | K | 97 | Very high | 96.5 | Very high | 160 Ų | 160 | 76 Ų | 76 | 70% | 0.696 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -77.6 | 152.8 | 170.5 | -62.2 | -178.6 | -178.8 | 179.7 | 0 | 110.5 | S20 V21 I22 | K18-S20 VanDerWaalsContact C-N 3.28Å; K18-S20 PolarHBondContact O-N 2.91Å; K18-V21 HydrophobicContact CB-CG2 4.38Å; K18-V21 WeakPolarHBondContact O-CB 3.41Å; K18-V21 PolarHBondContact O-N 2.82Å; K18-I22 WeakPolarHBondContact O-CG1 3.29Å; K18-I22 PolarHBondContact O-N 3.21Å |
| 19 | T | 95.6 | Very high | 96.6 | Very high | 118 Ų | 118 | 67.4 Ų | 67.4 | 72% | 0.724 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -52.8 | -40.4 | -179.7 | -48.9 | 0 | 0 | 0 | 0 | 113.8 | I22 K23 | T19-I22 PolarHBondContact O-N 3.18Å; T19-K23 PolarHBondContact O-N 3.17Å |
| 20 | S | 96 | Very high | 96.7 | Very high | 89 Ų | 89 | 63 Ų | 63 | 62% | 0.622 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.6 | -41.5 | 177.5 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | K18 K23 G24 | K18-S20 VanDerWaalsContact C-N 3.28Å; K18-S20 PolarHBondContact O-N 2.91Å; S20-K23 PolarHBondContact O-N 3.11Å; S20-G24 PolarHBondContact O-N 3.1Å; S20-G24 VanDerWaalsContact O-N 3.13Å |
| 21 | V | 96.4 | Very high | 96.6 | Very high | 67 Ų | 67 | 69 Ų | 69 | 41% | 0.406 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.7 | -42 | 177.9 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | L17 K18 K23 G24 I25 | L17-V21 HydrophobicContact CD1-CG1 4.33Å; L17-V21 HydrophobicContact CD2-CG1 4.26Å; K18-V21 HydrophobicContact CB-CG2 4.38Å; K18-V21 WeakPolarHBondContact O-CB 3.41Å; K18-V21 PolarHBondContact O-N 2.82Å; V21-K23 VanDerWaalsContact C-N 3.29Å; V21-K23 PolarHBondContact O-N 2.83Å; V21-G24 PolarHBondContact O-N 3.47Å; V21-G24 VanDerWaalsContact O-N 3.15Å; V21-I25 HydrophobicContact CG1-CD1 4.16Å; V21-I25 WeakPolarHBondContact O-CG1 3.33Å; V21-I25 PolarHBondContact O-N 3.16Å |
| 22 | I | 96.9 | Very high | 96.5 | Very high | 29 Ų | 29 | 70.1 Ų | 70.1 | 15% | 0.149 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 176 | -64 | 166.2 | 0 | 0 | 0 | 110.6 | L17 K18 T19 G24 I25 K26 M44 V50 | L17-I22 HydrophobicContact CB-CD1 4.14Å; L17-I22 HydrophobicContact CB-CG1 3.68Å; L17-I22 HydrophobicContact CD1-CG1 4.28Å; K18-I22 WeakPolarHBondContact O-CG1 3.29Å; K18-I22 PolarHBondContact O-N 3.21Å; T19-I22 PolarHBondContact O-N 3.18Å; I22-G24 VanDerWaalsContact C-N 3.35Å; I22-G24 PolarHBondContact O-N 3.06Å; I22-I25 PolarHBondContact O-N 3Å; I22-K26 HydrophobicContact CG2-CD 4.39Å; I22-K26 HydrophobicContact CG2-CG 4.49Å; I22-K26 WeakPolarHBondContact O-CG 3.43Å; I22-K26 PolarHBondContact O-N 3.36Å; I22-M44 HydrophobicContact CG2-CE 4.23Å; I22-V50 HydrophobicContact CD1-CB 3.74Å; I22-V50 HydrophobicContact CD1-CG2 3.69Å; I22-V50 HydrophobicContact CG1-CB 3.9Å; I22-V50 HydrophobicContact CG1-CG1 4.37Å; I22-V50 HydrophobicContact CG1-CG2 4.02Å; I22-V50 HydrophobicContact CG2-CG2 4.12Å |
| 23 | K | 95.9 | Very high | 96.5 | Very high | 143 Ų | 143 | 67 Ų | 67 | 62% | 0.622 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -60.5 | -44.4 | 176.1 | -173.4 | -179.9 | 177.8 | -176.7 | 0 | 111.5 | T19 S20 V21 K26 N27 | T19-K23 PolarHBondContact O-N 3.17Å; S20-K23 PolarHBondContact O-N 3.11Å; V21-K23 VanDerWaalsContact C-N 3.29Å; V21-K23 PolarHBondContact O-N 2.83Å; K23-K26 PolarHBondContact O-N 2.92Å; K23-N27 PolarHBondContact O-N 3.35Å; K23-N27 PolarHBondContact O-OD1 2.96Å |
| 24 | G | 96.6 | Very high | 96.4 | Very high | 40 Ų | 40 | 67.7 Ų | 67.7 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.6 | -46.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S20 V21 I22 K26 N27 Q28 | S20-G24 PolarHBondContact O-N 3.1Å; S20-G24 VanDerWaalsContact O-N 3.13Å; V21-G24 PolarHBondContact O-N 3.47Å; V21-G24 VanDerWaalsContact O-N 3.15Å; I22-G24 VanDerWaalsContact C-N 3.35Å; I22-G24 PolarHBondContact O-N 3.06Å; G24-K26 PolarHBondContact O-N 3.21Å; G24-N27 PolarHBondContact O-N 3.5Å; G24-Q28 PolarHBondContact O-N 3.35Å |
| 25 | I | 96.5 | Very high | 96.4 | Very high | 8 Ų | 8 | 70.7 Ų | 70.7 | 4% | 0.041 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 177.3 | -68.3 | 173.1 | 0 | 0 | 0 | 111.2 | L17 V21 I22 N27 Q28 L29 I52 L62 F78 | L17-I25 HydrophobicContact CD1-CD1 3.45Å; L17-I25 VanDerWaalsContact CD1-CD1 3.45Å; V21-I25 HydrophobicContact CG1-CD1 4.16Å; V21-I25 WeakPolarHBondContact O-CG1 3.33Å; V21-I25 PolarHBondContact O-N 3.16Å; I22-I25 PolarHBondContact O-N 3Å; I25-N27 VanDerWaalsContact C-N 3.32Å; I25-N27 PolarHBondContact O-N 2.96Å; I25-Q28 PolarHBondContact O-N 3.29Å; I25-L29 HydrophobicContact CG2-CD1 4.03Å; I25-L29 HydrophobicContact CG2-CG 4.24Å; I25-L29 WeakPolarHBondContact O-CG 3.48Å; I25-L29 PolarHBondContact O-N 3.48Å; I25-I52 HydrophobicContact CD1-CD1 4.31Å; I25-L62 HydrophobicContact CD1-CD1 4.32Å; I25-L62 HydrophobicContact CG2-CD2 3.99Å; I25-F78 HydrophobicContact CD1-CZ 4.43Å; I25-F78 HydrophobicContact CG1-CE2 4.39Å; I25-F78 HydrophobicContact CG1-CZ 4.35Å; I25-F78 HydrophobicContact CG2-CE2 3.95Å; I25-F78 HydrophobicContact CG2-CZ 4.06Å |
| 26 | K | 96.4 | Very high | 96.3 | Very high | 33 Ų | 33 | 67.9 Ų | 67.9 | 14% | 0.143 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60 | -42.7 | 177.2 | -75.3 | -172.8 | 177.1 | -164 | 0 | 111.6 | I22 K23 G24 L29 L30 M44 | I22-K26 HydrophobicContact CG2-CD 4.39Å; I22-K26 HydrophobicContact CG2-CG 4.49Å; I22-K26 WeakPolarHBondContact O-CG 3.43Å; I22-K26 PolarHBondContact O-N 3.36Å; K23-K26 PolarHBondContact O-N 2.92Å; G24-K26 PolarHBondContact O-N 3.21Å; K26-L29 PolarHBondContact O-N 3.42Å; K26-L30 VanDerWaalsContact O-CG 3.29Å; K26-L30 WeakPolarHBondContact O-CG 3.43Å; K26-L30 PolarHBondContact O-N 3.05Å; K26-M44 HydrophobicContact CG-CE 4.47Å; K26-M44 HydrophobicContact CG-SD 4.26Å; K26-M44 PolarHBondContact NZ-O 2.87Å |
| 27 | N | 96.8 | Very high | 96.3 | Very high | 79 Ų | 79 | 68 Ų | 68 | 42% | 0.422 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 175.7 | -68 | -2 | 0 | 0 | 0 | 111.4 | K23 G24 I25 L29 L30 E31 | K23-N27 PolarHBondContact O-N 3.35Å; K23-N27 PolarHBondContact O-OD1 2.96Å; G24-N27 PolarHBondContact O-N 3.5Å; I25-N27 VanDerWaalsContact C-N 3.32Å; I25-N27 PolarHBondContact O-N 2.96Å; N27-L29 VanDerWaalsContact C-N 3.33Å; N27-L29 PolarHBondContact O-N 3.02Å; N27-L30 WeakPolarHBondContact O-CB 3.34Å; N27-L30 PolarHBondContact O-N 2.94Å; N27-L30 VanDerWaalsContact O-N 3.16Å; N27-E31 WeakPolarHBondContact O-CG 3.42Å; N27-E31 PolarHBondContact O-N 3.13Å |
| 28 | Q | 96.1 | Very high | 96.3 | Very high | 52 Ų | 52 | 71.5 Ų | 71.5 | 24% | 0.243 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 176.1 | -173.4 | -178.8 | -5.1 | 0 | 0 | 111.9 | G24 I25 L30 E31 Q32 F78 | G24-Q28 PolarHBondContact O-N 3.35Å; I25-Q28 PolarHBondContact O-N 3.29Å; Q28-L30 VanDerWaalsContact C-N 3.32Å; Q28-L30 PolarHBondContact O-N 3.15Å; Q28-E31 PolarHBondContact O-N 3.39Å; Q28-Q32 WeakPolarHBondContact O-CG 3.49Å; Q28-Q32 PolarHBondContact O-N 3.37Å; Q28-F78 HydrophobicContact CG-CD2 4.42Å |
| 29 | L | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 176.6 | -68.9 | 175.8 | 0 | 0 | 0 | 112.3 | I25 K26 N27 Q32 F33 L40 M44 L62 F70 F78 | I25-L29 HydrophobicContact CG2-CD1 4.03Å; I25-L29 HydrophobicContact CG2-CG 4.24Å; I25-L29 WeakPolarHBondContact O-CG 3.48Å; I25-L29 PolarHBondContact O-N 3.48Å; K26-L29 PolarHBondContact O-N 3.42Å; N27-L29 VanDerWaalsContact C-N 3.33Å; N27-L29 PolarHBondContact O-N 3.02Å; L29-Q32 PolarHBondContact O-N 3.29Å; L29-F33 HydrophobicContact CD2-CD2 4.1Å; L29-F33 HydrophobicContact CD2-CE2 4Å; L29-F33 WeakPolarHBondContact O-CA 3.49Å; L29-F33 WeakPolarHBondContact O-CB 3.5Å; L29-F33 PolarHBondContact O-N 3.01Å; L29-L40 HydrophobicContact CD1-CD2 4.44Å; L29-M44 HydrophobicContact CD1-SD 4.22Å; L29-L62 HydrophobicContact CD1-CD2 4.37Å; L29-F70 HydrophobicContact CD1-CD2 3.99Å; L29-F70 HydrophobicContact CD1-CE2 3.81Å; L29-F70 HydrophobicContact CD1-CZ 4.34Å; L29-F70 HydrophobicContact CD2-CD1 3.78Å; L29-F70 HydrophobicContact CD2-CD2 4.03Å; L29-F70 HydrophobicContact CD2-CE1 3.79Å; L29-F70 HydrophobicContact CD2-CE2 4.03Å; L29-F70 HydrophobicContact CD2-CG 3.92Å; L29-F70 HydrophobicContact CD2-CZ 3.92Å; L29-F78 HydrophobicContact CD2-CB 3.77Å; L29-F78 HydrophobicContact CD2-CD2 3.98Å; L29-F78 HydrophobicContact CD2-CG 3.95Å |
| 30 | L | 96.6 | Very high | 96.2 | Very high | 48 Ų | 48 | 63.1 Ų | 63.1 | 25% | 0.251 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.4 | -37.9 | 175.7 | -72.1 | 175.6 | 0 | 0 | 0 | 112.3 | K26 N27 Q28 P34 I36 E37 L40 | K26-L30 VanDerWaalsContact O-CG 3.29Å; K26-L30 WeakPolarHBondContact O-CG 3.43Å; K26-L30 PolarHBondContact O-N 3.05Å; N27-L30 WeakPolarHBondContact O-CB 3.34Å; N27-L30 PolarHBondContact O-N 2.94Å; N27-L30 VanDerWaalsContact O-N 3.16Å; Q28-L30 VanDerWaalsContact C-N 3.32Å; Q28-L30 PolarHBondContact O-N 3.15Å; L30-P34 WeakPolarHBondContact O-CA 3.15Å; L30-I36 HydrophobicContact CD2-CG2 4.28Å; L30-E37 HydrophobicContact CD2-CB 3.45Å; L30-E37 VanDerWaalsContact CD2-CB 3.45Å; L30-E37 HydrophobicContact CD2-CG 3.84Å; L30-L40 HydrophobicContact CD1-CD1 4.23Å; L30-L40 HydrophobicContact CD2-CD1 3.49Å; L30-L40 VanDerWaalsContact CD2-CD1 3.49Å; L30-L40 HydrophobicContact CG-CD1 3.69Å |
| 31 | E | 96.1 | Very high | 96.1 | Very high | 157 Ų | 157 | 63.5 Ų | 63.5 | 73% | 0.734 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.8 | -40.5 | 174.2 | -71.8 | 170.3 | -170.5 | 0 | 0 | 111.5 | N27 Q28 | N27-E31 WeakPolarHBondContact O-CG 3.42Å; N27-E31 PolarHBondContact O-N 3.13Å; Q28-E31 PolarHBondContact O-N 3.39Å |
| 32 | Q | 95.1 | Very high | 96.1 | Very high | 58 Ų | 58 | 66.4 Ų | 66.4 | 27% | 0.271 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -78.9 | -37.1 | -179.4 | -68.7 | -168.2 | -95 | 0 | 0 | 113.6 | Q28 L29 F78 | Q28-Q32 WeakPolarHBondContact O-CG 3.49Å; Q28-Q32 PolarHBondContact O-N 3.37Å; L29-Q32 PolarHBondContact O-N 3.29Å; Q32-F78 PolarHBondContact NE2-O 2.88Å; Q32-F78 VanDerWaalsContact OE1-N 3.11Å |
| 33 | F | 96.1 | Very high | 96 | Very high | 7 Ų | 7 | 65.4 Ų | 65.4 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | trans | -134.1 | 71.9 | -172.7 | -45.9 | -59.7 | 0 | 0 | 0 | 110.4 | L29 D35 I36 F70 F78 I91 L92 | L29-F33 HydrophobicContact CD2-CD2 4.1Å; L29-F33 HydrophobicContact CD2-CE2 4Å; L29-F33 WeakPolarHBondContact O-CA 3.49Å; L29-F33 WeakPolarHBondContact O-CB 3.5Å; L29-F33 PolarHBondContact O-N 3.01Å; F33-D35 PolarHBondContact O-N 3.01Å; F33-D35 VanDerWaalsContact O-N 3.1Å; F33-I36 HydrophobicContact CB-CB 4.32Å; F33-I36 HydrophobicContact CB-CG2 4.15Å; F33-I36 WeakPolarHBondContact O-CB 3.3Å; F33-I36 WeakPolarHBondContact O-CG2 3.22Å; F33-I36 PolarHBondContact O-N 3.37Å; F33-F70 AromaticContact CD2-CE1 3.8Å; F33-F70 HydrophobicContact CD2-CE1 3.8Å; F33-F70 HydrophobicContact CD2-CZ 4.36Å; F33-F70 HydrophobicContact CE2-CD1 4.05Å; F33-F70 AromaticContact CE2-CE1 3.57Å; F33-F70 HydrophobicContact CE2-CE1 3.57Å; F33-F70 HydrophobicContact CZ-CE1 4.48Å; F33-F78 HydrophobicContact CE2-CB 4.46Å; F33-F78 WeakPolarHBondContact CZ-O 3.27Å; F33-I91 HydrophobicContact CB-CB 4.48Å; F33-I91 WeakPolarHBondContact CD1-O 3.42Å; F33-L92 HydrophobicContact CD1-CD2 3.6Å; F33-L92 HydrophobicContact CE1-CD2 3.28Å; F33-L92 HydrophobicContact CZ-CD2 4.29Å | ||
| 34 | P | 95.6 | Very high | 96 | Very high | 83 Ų | 83 | 58.7 Ų | 58.7 | 54% | 0.539 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -53.7 | -38.2 | -172.1 | -27.7 | 35.5 | 0 | 0 | 0 | 114 | L30 I36 E37 | L30-P34 WeakPolarHBondContact O-CA 3.15Å; P34-I36 PolarHBondContact O-N 3.1Å; P34-E37 PolarHBondContact O-N 2.86Å |
| 35 | D | 95.4 | Very high | 96 | Very high | 103 Ų | 103 | 58.5 Ų | 58.5 | 55% | 0.551 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -67.7 | -8.6 | -177.7 | -59.9 | -47.5 | 0 | 0 | 0 | 114.2 | F33 E37 F90 | F33-D35 PolarHBondContact O-N 3.01Å; F33-D35 VanDerWaalsContact O-N 3.1Å; D35-E37 VanDerWaalsContact C-N 3.33Å; D35-F90 HydrophobicContact CB-CD2 3.99Å; D35-F90 HydrophobicContact CB-CE2 4.5Å |
| 36 | I | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -79.6 | -14.5 | 176.8 | -152.8 | 170.5 | 0 | 0 | 0 | 113.2 | L30 F33 P34 P38 W39 L40 I43 F70 I91 | L30-I36 HydrophobicContact CD2-CG2 4.28Å; F33-I36 HydrophobicContact CB-CB 4.32Å; F33-I36 HydrophobicContact CB-CG2 4.15Å; F33-I36 WeakPolarHBondContact O-CB 3.3Å; F33-I36 WeakPolarHBondContact O-CG2 3.22Å; F33-I36 PolarHBondContact O-N 3.37Å; P34-I36 PolarHBondContact O-N 3.1Å; I36-P38 VanDerWaalsContact C-CD 3.48Å; I36-W39 WeakPolarHBondContact O-CA 3.18Å; I36-W39 PolarHBondContact O-N 3.29Å; I36-L40 HydrophobicContact CD1-CD2 4.18Å; I36-L40 HydrophobicContact CG1-CD2 4.21Å; I36-L40 HydrophobicContact CG1-CG 4.46Å; I36-L40 HydrophobicContact CG2-CD1 4.21Å; I36-L40 HydrophobicContact CG2-CD2 3.98Å; I36-L40 HydrophobicContact CG2-CG 3.91Å; I36-L40 PolarHBondContact O-N 3.38Å; I36-L40 VanDerWaalsContact O-N 3.11Å; I36-I43 HydrophobicContact CD1-CD1 3.84Å; I36-I43 HydrophobicContact CG1-CD1 3.8Å; I36-F70 HydrophobicContact CD1-CE2 4.18Å; I36-F70 HydrophobicContact CD1-CZ 3.55Å; I36-I91 HydrophobicContact CB-CG2 4.04Å; I36-I91 HydrophobicContact CD1-CD1 4.41Å; I36-I91 HydrophobicContact CD1-CG2 4.33Å; I36-I91 HydrophobicContact CG1-CG2 4.04Å |
| 37 | E | 96.1 | Very high | 95.6 | Very high | 128 Ų | 128 | 75 Ų | 75 | 60% | 0.598 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -48.3 | -50.2 | -173.2 | -176.4 | 174.4 | -159.6 | 0 | 0 | 114.3 | L30 P34 D35 W39 L40 | L30-E37 HydrophobicContact CD2-CB 3.45Å; L30-E37 VanDerWaalsContact CD2-CB 3.45Å; L30-E37 HydrophobicContact CD2-CG 3.84Å; P34-E37 PolarHBondContact O-N 2.86Å; D35-E37 VanDerWaalsContact C-N 3.33Å; E37-W39 PolarHBondContact O-N 3.18Å; E37-W39 VanDerWaalsContact O-N 3.12Å; E37-L40 PolarHBondContact O-N 2.97Å |
| 38 | P | 96.9 | Very high | 95.5 | Very high | 100 Ų | 100 | 73.7 Ų | 73.7 | 65% | 0.649 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -64.6 | -22.2 | -177.9 | -20.2 | 34.6 | 0 | 0 | 0 | 113 | I36 | I36-P38 VanDerWaalsContact C-CD 3.48Š|
| 39 | W | 96.9 | Very high | 95.5 | Very high | 94 Ų | 94 | 74 Ų | 74 | 36% | 0.356 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -100.2 | -15.6 | -170.8 | -51.2 | 97.1 | 0 | 0 | 0 | 112.9 | I36 E37 N41 Q42 I43 Y88 F90 | I36-W39 WeakPolarHBondContact O-CA 3.18Å; I36-W39 PolarHBondContact O-N 3.29Å; E37-W39 PolarHBondContact O-N 3.18Å; E37-W39 VanDerWaalsContact O-N 3.12Å; W39-N41 VanDerWaalsContact C-N 3.25Å; W39-N41 PolarHBondContact O-N 3.31Å; W39-N41 VanDerWaalsContact O-N 3.17Å; W39-Q42 WeakPolarHBondContact O-CA 3.42Å; W39-Q42 WeakPolarHBondContact O-CB 3.44Å; W39-Q42 PolarHBondContact O-N 3.2Å; W39-I43 HydrophobicContact CB-CD1 3.81Å; W39-I43 HydrophobicContact CB-CG1 4.42Å; W39-I43 WeakPolarHBondContact O-CG1 3.3Å; W39-I43 PolarHBondContact O-N 2.94Å; W39-Y88 HydrophobicContact CB-CD1 4.44Å; W39-Y88 HydrophobicContact CB-CE1 4.06Å; W39-Y88 HydrophobicContact CD2-CD1 4.1Å; W39-Y88 AromaticContact CD2-CE1 3.72Å; W39-Y88 HydrophobicContact CD2-CE1 3.72Å; W39-Y88 HydrophobicContact CE3-CD1 4.34Å; W39-Y88 AromaticContact CE3-CE1 3.55Å; W39-Y88 HydrophobicContact CE3-CE1 3.55Å; W39-Y88 HydrophobicContact CG-CD1 4.13Å; W39-Y88 AromaticContact CG-CE1 3.94Å; W39-Y88 HydrophobicContact CG-CE1 3.94Å; W39-Y88 HydrophobicContact CZ3-CE1 4.23Å; W39-F90 AromaticContact CD1-CE2 3.7Å; W39-F90 AromaticContact CD1-CZ 3.61Å; W39-F90 HydrophobicContact CD2-CZ 4.31Å; W39-F90 AromaticContact CE2-CZ 3.68Å; W39-F90 HydrophobicContact CG-CZ 4.26Å; W39-F90 HydrophobicContact CZ2-CZ 4.21Å; W39-F90 AromaticContact NE1-CE2 3.52Å; W39-F90 AromaticContact NE1-CZ 3.22Å |
| 40 | L | 94.8 | Very high | 95.6 | Very high | 8 Ų | 8 | 74.1 Ų | 74.1 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.1 | -31.6 | -176.6 | -80.6 | -178.2 | 0 | 0 | 0 | 114.2 | L29 L30 I36 E37 Q42 M44 | L29-L40 HydrophobicContact CD1-CD2 4.44Å; L30-L40 HydrophobicContact CD1-CD1 4.23Å; L30-L40 HydrophobicContact CD2-CD1 3.49Å; L30-L40 VanDerWaalsContact CD2-CD1 3.49Å; L30-L40 HydrophobicContact CG-CD1 3.69Å; I36-L40 HydrophobicContact CD1-CD2 4.18Å; I36-L40 HydrophobicContact CG1-CD2 4.21Å; I36-L40 HydrophobicContact CG1-CG 4.46Å; I36-L40 HydrophobicContact CG2-CD1 4.21Å; I36-L40 HydrophobicContact CG2-CD2 3.98Å; I36-L40 HydrophobicContact CG2-CG 3.91Å; I36-L40 PolarHBondContact O-N 3.38Å; I36-L40 VanDerWaalsContact O-N 3.11Å; E37-L40 PolarHBondContact O-N 2.97Å; L40-Q42 VanDerWaalsContact C-N 3.28Å; L40-M44 CarbonylContact O-C 3.49Å; L40-M44 WeakPolarHBondContact O-CA 2.93Å; L40-M44 WeakPolarHBondContact O-CB 3.49Å; L40-M44 PolarHBondContact O-N 2.71Å |
| 41 | N | 94 | Very high | 95.7 | Very high | 96 Ų | 96 | 74.5 Ų | 74.5 | 51% | 0.513 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -73.2 | -24.2 | 176.4 | -73.1 | -39.9 | 0 | 0 | 0 | 112.6 | W39 P45 | W39-N41 VanDerWaalsContact C-N 3.25Å; W39-N41 PolarHBondContact O-N 3.31Å; W39-N41 VanDerWaalsContact O-N 3.17Å; N41-P45 VanDerWaalsContact O-CA 3.28Å; N41-P45 WeakPolarHBondContact O-CA 3.26Å |
| 42 | Q | 95.4 | Very high | 95.7 | Very high | 128 Ų | 128 | 67.4 Ų | 67.4 | 60% | 0.598 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -83.8 | -39.8 | 175.1 | -162.4 | 177.3 | 19.2 | 0 | 0 | 111 | W39 L40 | W39-Q42 WeakPolarHBondContact O-CA 3.42Å; W39-Q42 WeakPolarHBondContact O-CB 3.44Å; W39-Q42 PolarHBondContact O-N 3.2Å; L40-Q42 VanDerWaalsContact C-N 3.28Å |
| 43 | I | 95.9 | Very high | 95.9 | Very high | 9 Ų | 9 | 64.6 Ų | 64.6 | 5% | 0.046 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -74.1 | -39.6 | 179.3 | -61.1 | 165.1 | 0 | 0 | 0 | 111.5 | I36 W39 L69 L84 Y88 | I36-I43 HydrophobicContact CD1-CD1 3.84Å; I36-I43 HydrophobicContact CG1-CD1 3.8Å; W39-I43 HydrophobicContact CB-CD1 3.81Å; W39-I43 HydrophobicContact CB-CG1 4.42Å; W39-I43 WeakPolarHBondContact O-CG1 3.3Å; W39-I43 PolarHBondContact O-N 2.94Å; I43-L69 HydrophobicContact CG2-CD1 3.78Å; I43-L69 HydrophobicContact CG2-CD2 3.72Å; I43-L69 HydrophobicContact CG2-CG 4.26Å; I43-L84 HydrophobicContact CD1-CD1 4.15Å; I43-L84 HydrophobicContact CG1-CD1 4.28Å; I43-L84 HydrophobicContact CG2-CD1 4.04Å; I43-Y88 HydrophobicContact CD1-CD2 3.93Å; I43-Y88 HydrophobicContact CD1-CE2 3.62Å; I43-Y88 HydrophobicContact CG1-CD2 4.4Å; I43-Y88 HydrophobicContact CG1-CE2 3.61Å |
| 44 | M | 96.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -129.6 | 74.1 | 179.6 | -59.1 | 178.1 | 70.7 | 0 | 0 | 110.7 | I22 K26 L29 L40 V50 L62 V64 L69 | I22-M44 HydrophobicContact CG2-CE 4.23Å; K26-M44 HydrophobicContact CG-CE 4.47Å; K26-M44 HydrophobicContact CG-SD 4.26Å; K26-M44 PolarHBondContact NZ-O 2.87Å; L29-M44 HydrophobicContact CD1-SD 4.22Å; L40-M44 CarbonylContact O-C 3.49Å; L40-M44 WeakPolarHBondContact O-CA 2.93Å; L40-M44 WeakPolarHBondContact O-CB 3.49Å; L40-M44 PolarHBondContact O-N 2.71Å; M44-V50 HydrophobicContact CE-CB 4.38Å; M44-V50 HydrophobicContact CE-CG1 3.63Å; M44-V50 HydrophobicContact CE-CG2 3.8Å; M44-L62 HydrophobicContact CE-CD2 3.98Å; M44-L62 HydrophobicContact SD-CD2 4.11Å; M44-V64 HydrophobicContact CB-CG2 4.43Å; M44-V64 HydrophobicContact CG-CG2 4.1Å; M44-L69 HydrophobicContact CG-CD1 3.75Å |
| 45 | P | 95.4 | Very high | 96.1 | Very high | 37 Ų | 37 | 66 Ų | 66 | 24% | 0.24 | 32% | 0.319 | C | S | . | . | trans | -58.4 | 140.6 | -179.7 | -23.1 | 34.8 | 0 | 0 | 0 | 112 | N41 K47 D48 | N41-P45 VanDerWaalsContact O-CA 3.28Å; N41-P45 WeakPolarHBondContact O-CA 3.26Å; P45-K47 PolarHBondContact O-N 2.92Å; P45-K47 VanDerWaalsContact O-N 3.14Å; P45-D48 HydrophobicContact CB-CB 4.45Å; P45-D48 WeakPolarHBondContact CB-OD2 3.23Å; P45-D48 WeakPolarHBondContact CG-OD2 3.4Å; P45-D48 PolarHBondContact O-N 3.02Å; P45-D48 VanDerWaalsContact O-N 3.17Å | ||
| 46 | K | 91.6 | Very high | 96.1 | Very high | 182 Ų | 182 | 65.5 Ų | 65.5 | 79% | 0.791 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22.9 | -174.5 | -65.8 | -178.5 | -178.7 | 176.5 | 0 | 114.3 | ||
| 47 | K | 93.4 | Very high | 96.1 | Very high | 204 Ų | 204 | 71.9 Ų | 71.9 | 89% | 0.887 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -21.8 | -178.6 | -66.2 | -176.4 | 178.5 | -179.1 | 0 | 112.6 | P45 | P45-K47 PolarHBondContact O-N 2.92Å; P45-K47 VanDerWaalsContact O-N 3.14Å |
| 48 | D | 95.8 | Very high | 96.1 | Very high | 53 Ų | 53 | 71.7 Ų | 71.7 | 28% | 0.283 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -92.5 | 139 | -168.9 | -63.4 | -23.4 | 0 | 0 | 0 | 110.8 | P45 V50 V64 N65 | P45-D48 HydrophobicContact CB-CB 4.45Å; P45-D48 WeakPolarHBondContact CB-OD2 3.23Å; P45-D48 WeakPolarHBondContact CG-OD2 3.4Å; P45-D48 PolarHBondContact O-N 3.02Å; P45-D48 VanDerWaalsContact O-N 3.17Å; D48-V50 PolarHBondContact O-N 2.91Å; D48-V64 HydrophobicContact CB-CG1 3.88Å; D48-N65 WeakPolarHBondContact CB-OD1 3.34Å; D48-N65 PolarHBondContact OD2-ND2 3.3Å |
| 49 | P | 96.1 | Very high | 96.2 | Very high | 57 Ų | 57 | 67.1 Ų | 67.1 | 37% | 0.37 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -61 | 126.3 | 175.6 | -23.2 | 33.9 | 0 | 0 | 0 | 111.4 | Q16 | Q16-P49 HydrophobicContact CG-CB 4.23Š|
| 50 | V | 97.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 127.8 | 169 | -173.9 | 0 | 0 | 0 | 0 | 108.2 | L17 I22 M44 D48 L62 V64 | L17-V50 HydrophobicContact CD1-CG1 3.93Å; L17-V50 PolarHBondContact N-O 2.91Å; I22-V50 HydrophobicContact CD1-CB 3.74Å; I22-V50 HydrophobicContact CD1-CG2 3.69Å; I22-V50 HydrophobicContact CG1-CB 3.9Å; I22-V50 HydrophobicContact CG1-CG1 4.37Å; I22-V50 HydrophobicContact CG1-CG2 4.02Å; I22-V50 HydrophobicContact CG2-CG2 4.12Å; M44-V50 HydrophobicContact CE-CB 4.38Å; M44-V50 HydrophobicContact CE-CG1 3.63Å; M44-V50 HydrophobicContact CE-CG2 3.8Å; D48-V50 PolarHBondContact O-N 2.91Å; V50-L62 HydrophobicContact CG1-CD1 3.46Å; V50-L62 VanDerWaalsContact CG1-CD1 3.46Å; V50-L62 HydrophobicContact CG1-CG 4.28Å; V50-V64 HydrophobicContact CB-CG2 4.25Å; V50-V64 HydrophobicContact CG1-CG2 4.07Å; V50-V64 HydrophobicContact CG2-CG2 3.91Å |
| 51 | K | 97.9 | Very high | 96.4 | Very high | 55 Ų | 55 | 63.8 Ų | 63.8 | 24% | 0.239 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 154 | 178.5 | -44.6 | 176.7 | -174.2 | 172.5 | 0 | 111.1 | C14 I15 T63 K181 | C14-K51 VanDerWaalsContact SG-CB 3.55Å; I15-K51 CarbonylContact O-C 3.59Å; I15-K51 VanDerWaalsContact O-CA 3.26Å; I15-K51 WeakPolarHBondContact O-CA 3.11Å; K51-T63 HydrophobicContact CB-CG2 3.8Å; K51-T63 PolarHBondContact N-O 2.93Å; K51-T63 PolarHBondContact O-N 3.43Å; K51-K181 PolarHBondContact NZ-OXT 3.01Å |
| 52 | I | 97.8 | Very high | 96.6 | Very high | 8 Ų | 8 | 59.3 Ų | 59.3 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.8 | 163.4 | -74.2 | -178.2 | 0 | 0 | 0 | 108.3 | C14 I15 L17 I25 R54 E60 I61 L62 | C14-I52 WeakPolarHBondContact CA-O 3.03Å; I15-I52 PolarHBondContact N-O 3.41Å; I15-I52 PolarHBondContact O-N 2.91Å; L17-I52 HydrophobicContact CD1-CD1 4.04Å; L17-I52 HydrophobicContact CD1-CG1 3.96Å; L17-I52 HydrophobicContact CD2-CB 4.36Å; L17-I52 HydrophobicContact CD2-CD1 3.87Å; L17-I52 HydrophobicContact CD2-CG1 3.94Å; L17-I52 HydrophobicContact CG-CD1 4.44Å; L17-I52 HydrophobicContact CG-CG1 4.18Å; I25-I52 HydrophobicContact CD1-CD1 4.31Å; I52-R54 HydrophobicContact CG2-CG 4.16Å; I52-E60 HydrophobicContact CG2-CB 3.73Å; I52-E60 HydrophobicContact CG2-CG 3.87Å; I52-I61 CarbonylContact C-O 3.47Å; I52-I61 WeakPolarHBondContact CA-O 3.42Å; I52-L62 HydrophobicContact CG1-CD1 4.13Å |
| 53 | V | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 118.6 | 167 | -172.3 | 0 | 0 | 0 | 0 | 107.5 | V11 E60 I61 T63 M177 Y180 | V11-V53 HydrophobicContact CB-CG1 4.4Å; V11-V53 HydrophobicContact CG1-CG1 3.5Å; V11-V53 HydrophobicContact CG2-CG1 4.04Å; V53-E60 WeakPolarHBondContact O-CA 3.41Å; V53-I61 HydrophobicContact CB-CB 4.27Å; V53-I61 PolarHBondContact N-O 3.41Å; V53-I61 PolarHBondContact O-N 3.25Å; V53-T63 HydrophobicContact CG2-CG2 3.87Å; V53-M177 HydrophobicContact CG1-CE 4.39Å; V53-Y180 HydrophobicContact CG1-CD2 4.21Å; V53-Y180 HydrophobicContact CG1-CE2 3.93Å; V53-Y180 HydrophobicContact CG2-CD1 3.61Å; V53-Y180 HydrophobicContact CG2-CD2 3.84Å; V53-Y180 HydrophobicContact CG2-CE1 3.86Å; V53-Y180 HydrophobicContact CG2-CE2 4.05Å; V53-Y180 HydrophobicContact CG2-CG 3.6Å |
| 54 | R | 97.6 | Very high | 96.9 | Very high | 110 Ų | 110 | 53.1 Ų | 53.1 | 42% | 0.415 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 133.3 | 174.7 | -61.7 | -171.5 | 168.3 | 161 | 2.3 | 109.7 | S12 N13 I52 E60 | S12-R54 PolarHBondContact N-O 2.8Å; N13-R54 PolarHBondContact N-O 3.49Å; N13-R54 PolarHBondContact O-N 3.03Å; N13-R54 VanDerWaalsContact OD1-CB 3.27Å; N13-R54 WeakPolarHBondContact OD1-CB 3.34Å; N13-R54 VanDerWaalsContact OD1-CD 3.29Å; N13-R54 WeakPolarHBondContact OD1-CD 3.35Å; N13-R54 VanDerWaalsContact OD1-CG 3.31Å; N13-R54 WeakPolarHBondContact OD1-CG 3.3Å; I52-R54 HydrophobicContact CG2-CG 4.16Å; R54-E60 HydrophobicContact CG-CG 4.45Å; R54-E60 IonicContact NE-OE1 2.71Å |
| 55 | C | 97.8 | Very high | 96.8 | Very high | 8 Ų | 8 | 58.4 Ų | 58.4 | 5% | 0.054 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 169.7 | -177.3 | -61.7 | 0 | 0 | 0 | 0 | 110.8 | F5 N10 I59 | F5-C55 HydrophobicContact CE2-CB 3.91Å; N10-C55 CarbonylContact O-C 3.49Å; N10-C55 WeakPolarHBondContact O-CA 3.39Å; N10-C55 WeakPolarHBondContact O-CB 3.18Å; C55-I59 HydrophobicContact CB-CB 3.95Å; C55-I59 HydrophobicContact CB-CG2 4.23Å; C55-I59 PolarHBondContact N-O 3.37Å |
| 56 | H | 97.4 | Very high | 96.8 | Very high | 94 Ų | 94 | 57.2 Ų | 57.2 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -55.9 | 163.6 | 169.6 | -66 | 174.8 | 0 | 0 | 0 | 111.9 | E9 N10 S12 H58 I59 | E9-H56 PolarHBondContact O-CE1 2.99Å; N10-H56 HydrophobicContact CB-CB 4.37Å; N10-H56 PolarHBondContact ND2-ND1 2.89Å; N10-H56 PolarHBondContact O-N 3.35Å; S12-H56 PolarHBondContact OG-CD2 2.84Å; S12-H56 VanDerWaalsContact OG-CD2 3.28Å; H56-H58 PolarHBondContact O-N 3.41Å; H56-H58 VanDerWaalsContact O-N 3.15Å; H56-I59 PolarHBondContact O-N 3.11Å |
| 57 | E | 95.6 | Very high | 97.1 | Very high | 133 Ų | 133 | 53 Ų | 53 | 62% | 0.621 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | 58.7 | 24.7 | -177.8 | -55.2 | -176.4 | -169.2 | 0 | 0 | 114.3 | I59 Q73 | E57-I59 HydrophobicContact CB-CD1 4.39Å; E57-I59 PolarHBondContact O-N 2.83Å; E57-Q73 WeakPolarHBondContact O-CG 3.29Å; E57-Q73 PolarHBondContact O-NE2 3.47Å |
| 58 | H | 96.8 | Very high | 97.3 | Very high | 124 Ų | 124 | 44 Ų | 44 | 57% | 0.574 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | 60.4 | 31.3 | -178.4 | -46.5 | -83.6 | 0 | 0 | 0 | 113.6 | H56 Q73 R74 | H56-H58 PolarHBondContact O-N 3.41Å; H56-H58 VanDerWaalsContact O-N 3.15Å; H58-Q73 CarbonylContact O-C 3.45Å; H58-Q73 WeakPolarHBondContact O-CA 3.33Å; H58-R74 HydrophobicContact CB-CG 3.59Å; H58-R74 PolarHBondContact O-N 2.8Å |
| 59 | I | 98.1 | Very high | 97.4 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 136.7 | 175 | -65.4 | 166 | 0 | 0 | 0 | 109.3 | M1 F2 C55 H56 E57 I61 R72 Q73 | M1-I59 HydrophobicContact CG-CD1 3.59Å; M1-I59 HydrophobicContact CG-CG1 4.15Å; M1-I59 HydrophobicContact SD-CD1 4.04Å; M1-I59 HydrophobicContact SD-CG1 3.97Å; F2-I59 HydrophobicContact CE1-CD1 4.06Å; F2-I59 HydrophobicContact CE1-CG2 3.71Å; F2-I59 HydrophobicContact CZ-CD1 4.39Å; F2-I59 HydrophobicContact CZ-CG2 3.73Å; C55-I59 HydrophobicContact CB-CB 3.95Å; C55-I59 HydrophobicContact CB-CG2 4.23Å; C55-I59 PolarHBondContact N-O 3.37Å; H56-I59 PolarHBondContact O-N 3.11Å; E57-I59 HydrophobicContact CB-CD1 4.39Å; E57-I59 PolarHBondContact O-N 2.83Å; I59-I61 HydrophobicContact CG2-CG1 4.26Å; I59-R72 WeakPolarHBondContact CA-O 3.47Å; I59-Q73 HydrophobicContact CG1-CB 4.49Å; I59-Q73 HydrophobicContact CG1-CG 4.24Å |
| 60 | E | 98 | Very high | 97.6 | Very high | 32 Ų | 32 | 39 Ų | 39 | 15% | 0.15 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 130 | 174.2 | -69.2 | -169.3 | 146.7 | 0 | 0 | 109.5 | I52 V53 R54 F71 R72 | I52-E60 HydrophobicContact CG2-CB 3.73Å; I52-E60 HydrophobicContact CG2-CG 3.87Å; V53-E60 WeakPolarHBondContact O-CA 3.41Å; R54-E60 HydrophobicContact CG-CG 4.45Å; R54-E60 IonicContact NE-OE1 2.71Å; E60-F71 CarbonylContact O-C 3.57Å; E60-F71 WeakPolarHBondContact O-CA 3.34Å; E60-R72 HydrophobicContact CB-CG 4.07Å; E60-R72 PolarHBondContact N-O 2.88Å; E60-R72 PolarHBondContact O-N 3.35Å; E60-R72 IonicContact OE2-CZ 3.25Å; E60-R72 VanDerWaalsContact OE2-CZ 3.25Å; E60-R72 IonicContact OE2-NE 2.88Å; E60-R72 PolarHBondContact OE2-NE 2.85Å; E60-R72 IonicContact OE2-NH2 2.74Å; E60-R72 PolarHBondContact OE2-NH2 2.83Å |
| 61 | I | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 120.5 | 178.3 | -52.8 | 163 | 0 | 0 | 0 | 109.1 | F5 I52 V53 I59 L68 F70 F71 L174 M177 | F5-I61 HydrophobicContact CZ-CD1 4.47Å; I52-I61 CarbonylContact C-O 3.47Å; I52-I61 WeakPolarHBondContact CA-O 3.42Å; V53-I61 HydrophobicContact CB-CB 4.27Å; V53-I61 PolarHBondContact N-O 3.41Å; V53-I61 PolarHBondContact O-N 3.25Å; I59-I61 HydrophobicContact CG2-CG1 4.26Å; I61-L68 HydrophobicContact CG2-CB 4.09Å; I61-L68 HydrophobicContact CG2-CD1 4.39Å; I61-L68 HydrophobicContact CG2-CD2 4.02Å; I61-L68 HydrophobicContact CG2-CG 4.4Å; I61-F70 CarbonylContact C-O 3.52Å; I61-F70 WeakPolarHBondContact CA-O 3.07Å; I61-F71 HydrophobicContact CG1-CB 4.16Å; I61-L174 HydrophobicContact CD1-CD1 3.6Å; I61-L174 HydrophobicContact CG1-CD1 4.31Å; I61-M177 HydrophobicContact CD1-SD 4Å |
| 62 | L | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 124.7 | 174.5 | -171.1 | 70 | 0 | 0 | 0 | 109.7 | L17 I25 L29 M44 V50 I52 L69 F70 | L17-L62 HydrophobicContact CD1-CD1 4.05Å; I25-L62 HydrophobicContact CD1-CD1 4.32Å; I25-L62 HydrophobicContact CG2-CD2 3.99Å; L29-L62 HydrophobicContact CD1-CD2 4.37Å; M44-L62 HydrophobicContact CE-CD2 3.98Å; M44-L62 HydrophobicContact SD-CD2 4.11Å; V50-L62 HydrophobicContact CG1-CD1 3.46Å; V50-L62 VanDerWaalsContact CG1-CD1 3.46Å; V50-L62 HydrophobicContact CG1-CG 4.28Å; I52-L62 HydrophobicContact CG1-CD1 4.13Å; L62-L69 PolarHBondContact O-N 2.85Å; L62-F70 HydrophobicContact CB-CB 4.3Å; L62-F70 HydrophobicContact CD2-CD2 4.18Å; L62-F70 PolarHBondContact N-O 2.77Å |
| 63 | T | 98.2 | Very high | 97.5 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 144.6 | -179.5 | -176.5 | 0 | 0 | 0 | 0 | 112.5 | K51 V53 E67 Y180 | K51-T63 HydrophobicContact CB-CG2 3.8Å; K51-T63 PolarHBondContact N-O 2.93Å; K51-T63 PolarHBondContact O-N 3.43Å; V53-T63 HydrophobicContact CG2-CG2 3.87Å; T63-E67 WeakPolarHBondContact CA-O 3.37Å; T63-E67 VanDerWaalsContact CB-O 3.3Å; T63-E67 WeakPolarHBondContact CB-O 3.4Å; T63-E67 PolarHBondContact OG1-O 2.88Å; T63-Y180 HydrophobicContact CG2-CD1 4.3Å |
| 64 | V | 97.8 | Very high | 97.3 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 131.1 | 173.7 | -179.8 | 0 | 0 | 0 | 0 | 107.5 | M44 D48 V50 G66 E67 L69 | M44-V64 HydrophobicContact CB-CG2 4.43Å; M44-V64 HydrophobicContact CG-CG2 4.1Å; D48-V64 HydrophobicContact CB-CG1 3.88Å; V50-V64 HydrophobicContact CB-CG2 4.25Å; V50-V64 HydrophobicContact CG1-CG2 4.07Å; V50-V64 HydrophobicContact CG2-CG2 3.91Å; V64-G66 PolarHBondContact O-N 3.18Å; V64-E67 PolarHBondContact N-O 2.93Å; V64-E67 PolarHBondContact O-N 3.49Å; V64-L69 HydrophobicContact CB-CD1 4Å; V64-L69 HydrophobicContact CG2-CD1 3.64Å |
| 65 | N | 95.3 | Very high | 96.8 | Very high | 112 Ų | 112 | 52.8 Ų | 52.8 | 60% | 0.599 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 30.4 | -177.2 | -59.4 | -28 | 0 | 0 | 0 | 114.1 | D48 E67 | D48-N65 WeakPolarHBondContact CB-OD1 3.34Å; D48-N65 PolarHBondContact OD2-ND2 3.3Å; N65-E67 PolarHBondContact O-N 3.24Å |
| 66 | G | 94.9 | Very high | 96.6 | Very high | 12 Ų | 12 | 53.5 Ų | 53.5 | 12% | 0.124 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | -4.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | V64 T179 Y180 | V64-G66 PolarHBondContact O-N 3.18Å; G66-T179 CarbonylContact O-C 3.54Å; G66-T179 WeakPolarHBondContact O-CA 3.16Å; G66-T179 WeakPolarHBondContact O-CB 3.47Å; G66-Y180 WeakPolarHBondContact CA-O 3.5Å; G66-Y180 PolarHBondContact O-N 2.77Å |
| 67 | E | 97.6 | Very high | 96.5 | Very high | 95 Ų | 95 | 51.6 Ų | 51.6 | 44% | 0.444 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 135.4 | 168.4 | -68.4 | -158.7 | 133.8 | 0 | 0 | 109.8 | T63 V64 N65 L69 K87 | T63-E67 WeakPolarHBondContact CA-O 3.37Å; T63-E67 VanDerWaalsContact CB-O 3.3Å; T63-E67 WeakPolarHBondContact CB-O 3.4Å; T63-E67 PolarHBondContact OG1-O 2.88Å; V64-E67 PolarHBondContact N-O 2.93Å; V64-E67 PolarHBondContact O-N 3.49Å; N65-E67 PolarHBondContact O-N 3.24Å; E67-L69 HydrophobicContact CB-CD2 4.14Å; E67-K87 IonicContact OE1-NZ 2.86Å; E67-K87 PolarHBondContact OE1-NZ 2.88Å; E67-K87 IonicContact OE2-NZ 3.6Å |
| 68 | L | 98.3 | Very high | 96.6 | Very high | 15 Ų | 15 | 45.3 Ų | 45.3 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 116.5 | 175.4 | -51.4 | -171.4 | 0 | 0 | 0 | 109.3 | I61 T81 L174 M177 | I61-L68 HydrophobicContact CG2-CB 4.09Å; I61-L68 HydrophobicContact CG2-CD1 4.39Å; I61-L68 HydrophobicContact CG2-CD2 4.02Å; I61-L68 HydrophobicContact CG2-CG 4.4Å; L68-T81 HydrophobicContact CB-CG2 3.97Å; L68-T81 VanDerWaalsContact O-CG2 3.3Å; L68-T81 WeakPolarHBondContact O-CG2 3.48Å; L68-T81 PolarHBondContact O-OG1 2.99Å; L68-L174 HydrophobicContact CD1-CD1 3.57Å; L68-M177 HydrophobicContact CD1-CB 4.23Å; L68-M177 HydrophobicContact CD1-CE 4.37Å; L68-M177 HydrophobicContact CD1-CG 3.87Å; L68-M177 WeakPolarHBondContact CD1-O 3.25Å; L68-M177 HydrophobicContact CD1-SD 3.82Å; L68-M177 HydrophobicContact CD2-CE 4.41Å |
| 69 | L | 98.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -60.7 | -168 | -56.4 | -179.3 | 0 | 0 | 0 | 112 | I43 M44 L62 V64 E67 T81 L84 | I43-L69 HydrophobicContact CG2-CD1 3.78Å; I43-L69 HydrophobicContact CG2-CD2 3.72Å; I43-L69 HydrophobicContact CG2-CG 4.26Å; M44-L69 HydrophobicContact CG-CD1 3.75Å; L62-L69 PolarHBondContact O-N 2.85Å; V64-L69 HydrophobicContact CB-CD1 4Å; V64-L69 HydrophobicContact CG2-CD1 3.64Å; E67-L69 HydrophobicContact CB-CD2 4.14Å; L69-T81 PolarHBondContact O-N 2.84Å; L69-T81 PolarHBondContact O-OG1 3.35Å; L69-L84 HydrophobicContact CB-CD2 4.39Å; L69-L84 HydrophobicContact CD2-CD1 4.38Å; L69-L84 VanDerWaalsContact O-CD2 3.22Å; L69-L84 WeakPolarHBondContact O-CD2 3.18Å |
| 70 | F | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 157.8 | -178.1 | -65.5 | -91.6 | 0 | 0 | 0 | 109.7 | L29 F33 I36 I61 L62 F78 Y79 P80 L84 | L29-F70 HydrophobicContact CD1-CD2 3.99Å; L29-F70 HydrophobicContact CD1-CE2 3.81Å; L29-F70 HydrophobicContact CD1-CZ 4.34Å; L29-F70 HydrophobicContact CD2-CD1 3.78Å; L29-F70 HydrophobicContact CD2-CD2 4.03Å; L29-F70 HydrophobicContact CD2-CE1 3.79Å; L29-F70 HydrophobicContact CD2-CE2 4.03Å; L29-F70 HydrophobicContact CD2-CG 3.92Å; L29-F70 HydrophobicContact CD2-CZ 3.92Å; F33-F70 AromaticContact CD2-CE1 3.8Å; F33-F70 HydrophobicContact CD2-CE1 3.8Å; F33-F70 HydrophobicContact CD2-CZ 4.36Å; F33-F70 HydrophobicContact CE2-CD1 4.05Å; F33-F70 AromaticContact CE2-CE1 3.57Å; F33-F70 HydrophobicContact CE2-CE1 3.57Å; F33-F70 HydrophobicContact CZ-CE1 4.48Å; I36-F70 HydrophobicContact CD1-CE2 4.18Å; I36-F70 HydrophobicContact CD1-CZ 3.55Å; I61-F70 CarbonylContact C-O 3.52Å; I61-F70 WeakPolarHBondContact CA-O 3.07Å; L62-F70 HydrophobicContact CB-CB 4.3Å; L62-F70 HydrophobicContact CD2-CD2 4.18Å; L62-F70 PolarHBondContact N-O 2.77Å; F70-F78 HydrophobicContact CB-CB 4.24Å; F70-F78 HydrophobicContact CB-CD1 3.7Å; F70-F78 HydrophobicContact CB-CE1 4.46Å; F70-F78 HydrophobicContact CB-CG 4.27Å; F70-F78 HydrophobicContact CD1-CB 4.16Å; F70-F78 HydrophobicContact CG-CB 4.47Å; F70-Y79 CarbonylContact C-O 3.19Å; F70-Y79 WeakPolarHBondContact CA-O 3.42Å; F70-P80 HydrophobicContact CD1-CB 4.03Å; F70-P80 HydrophobicContact CE1-CB 3.79Å; F70-L84 HydrophobicContact CD2-CD2 3.99Å; F70-L84 HydrophobicContact CE1-CD2 4.01Å; F70-L84 HydrophobicContact CE2-CD2 3.4Å; F70-L84 VanDerWaalsContact CE2-CD2 3.4Å; F70-L84 HydrophobicContact CZ-CD2 3.4Å; F70-L84 VanDerWaalsContact CZ-CD2 3.4Å |
| 71 | F | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 157.6 | 169.1 | 65.7 | -87.2 | 0 | 0 | 0 | 110.4 | M1 F2 E60 I61 F78 Y79 T81 V167 H168 L174 | M1-F71 HydrophobicContact CE-CE2 4.21Å; M1-F71 HydrophobicContact SD-CD2 3.78Å; M1-F71 HydrophobicContact SD-CE2 3.74Å; F2-F71 HydrophobicContact CE2-CD1 4.2Å; F2-F71 AromaticContact CE2-CD2 3.54Å; F2-F71 HydrophobicContact CE2-CD2 3.54Å; F2-F71 HydrophobicContact CE2-CE1 4.21Å; F2-F71 AromaticContact CE2-CE2 3.56Å; F2-F71 HydrophobicContact CE2-CE2 3.56Å; F2-F71 AromaticContact CE2-CG 3.87Å; F2-F71 HydrophobicContact CE2-CG 3.87Å; F2-F71 AromaticContact CE2-CZ 3.9Å; F2-F71 HydrophobicContact CE2-CZ 3.9Å; F2-F71 HydrophobicContact CZ-CB 4.15Å; F2-F71 HydrophobicContact CZ-CD1 4.47Å; F2-F71 AromaticContact CZ-CD2 3.68Å; F2-F71 HydrophobicContact CZ-CD2 3.68Å; F2-F71 HydrophobicContact CZ-CE2 4.19Å; F2-F71 AromaticContact CZ-CG 3.84Å; F2-F71 HydrophobicContact CZ-CG 3.84Å; E60-F71 CarbonylContact O-C 3.57Å; E60-F71 WeakPolarHBondContact O-CA 3.34Å; I61-F71 HydrophobicContact CG1-CB 4.16Å; F71-F78 CarbonylContact O-C 3.49Å; F71-F78 WeakPolarHBondContact O-CA 3.31Å; F71-Y79 WeakPolarHBondContact CD1-O 3.05Å; F71-Y79 AromaticContact CD2-CD2 3.84Å; F71-Y79 HydrophobicContact CD2-CD2 3.84Å; F71-Y79 HydrophobicContact CD2-CG 4.41Å; F71-Y79 AromaticContact CE2-CD2 3.43Å; F71-Y79 HydrophobicContact CE2-CD2 3.43Å; F71-Y79 VanDerWaalsContact CE2-CD2 3.43Å; F71-Y79 HydrophobicContact CE2-CE2 4.38Å; F71-Y79 AromaticContact CE2-CG 3.78Å; F71-Y79 HydrophobicContact CE2-CG 3.78Å; F71-Y79 HydrophobicContact CZ-CD2 4.05Å; F71-Y79 AromaticContact CZ-CG 3.89Å; F71-Y79 HydrophobicContact CZ-CG 3.89Å; F71-Y79 PolarHBondContact N-O 2.81Å; F71-Y79 PolarHBondContact O-N 3.44Å; F71-T81 HydrophobicContact CD1-CG2 4.41Å; F71-V167 HydrophobicContact CE2-CG2 4.48Å; F71-V167 HydrophobicContact CZ-CB 4.46Å; F71-V167 HydrophobicContact CZ-CG2 4.05Å; F71-H168 HydrophobicContact CE1-CB 3.81Å; F71-H168 HydrophobicContact CZ-CB 3.58Å; F71-L174 HydrophobicContact CD1-CD2 3.72Å; F71-L174 HydrophobicContact CE1-CD2 4.13Å; F71-L174 HydrophobicContact CG-CD2 4.25Å |
| 72 | R | 97.6 | Very high | 96.7 | Very high | 41 Ų | 41 | 39.2 Ų | 39.2 | 16% | 0.155 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 164 | 170.3 | 64.8 | 178.6 | 179.9 | -177.8 | 6.5 | 109.6 | I59 E60 P77 F78 | I59-R72 WeakPolarHBondContact CA-O 3.47Å; E60-R72 HydrophobicContact CB-CG 4.07Å; E60-R72 PolarHBondContact N-O 2.88Å; E60-R72 PolarHBondContact O-N 3.35Å; E60-R72 IonicContact OE2-CZ 3.25Å; E60-R72 VanDerWaalsContact OE2-CZ 3.25Å; E60-R72 IonicContact OE2-NE 2.88Å; E60-R72 PolarHBondContact OE2-NE 2.85Å; E60-R72 IonicContact OE2-NH2 2.74Å; E60-R72 PolarHBondContact OE2-NH2 2.83Å; R72-P77 WeakPolarHBondContact CB-O 3.36Å; R72-F78 HydrophobicContact CB-CD1 4.05Å; R72-F78 HydrophobicContact CB-CE1 4.27Å; R72-F78 HydrophobicContact CG-CD1 4.21Å; R72-F78 HydrophobicContact CG-CE1 3.9Å; R72-F78 HydrophobicContact CG-CZ 4.4Å |
| 73 | Q | 96.6 | Very high | 96.7 | Very high | 69 Ų | 69 | 43.4 Ų | 43.4 | 32% | 0.322 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.9 | 170.9 | -170.8 | 175.3 | 30.7 | 0 | 0 | 108.6 | M1 E57 H58 I59 G76 | M1-Q73 HydrophobicContact CE-CB 3.84Å; M1-Q73 HydrophobicContact SD-CB 4.2Å; E57-Q73 WeakPolarHBondContact O-CG 3.29Å; E57-Q73 PolarHBondContact O-NE2 3.47Å; H58-Q73 CarbonylContact O-C 3.45Å; H58-Q73 WeakPolarHBondContact O-CA 3.33Å; I59-Q73 HydrophobicContact CG1-CB 4.49Å; I59-Q73 HydrophobicContact CG1-CG 4.24Å; Q73-G76 PolarHBondContact O-N 2.89Å; Q73-G76 VanDerWaalsContact O-N 3.08Å |
| 74 | R | 93.1 | Very high | 96.7 | Very high | 170 Ų | 170 | 43.7 Ų | 43.7 | 64% | 0.642 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | -141.4 | -170.3 | -56.2 | 176.2 | 176.8 | -169.6 | -2.2 | 110 | H58 G76 | H58-R74 HydrophobicContact CB-CG 3.59Å; H58-R74 PolarHBondContact O-N 2.8Å; R74-G76 PolarHBondContact O-N 2.74Å |
| 75 | E | 87.6 | Confident | 96.7 | Very high | 188 Ų | 188 | 43.6 Ų | 43.6 | 88% | 0.879 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 27.9 | 174.3 | -57.7 | -163 | 155.5 | 0 | 0 | 112.8 | ||
| 76 | G | 92.9 | Very high | 96.9 | Very high | 23 Ų | 23 | 40.2 Ų | 40.2 | 24% | 0.237 | 19% | 0.189 | C | C | . | . | trans | -71.4 | 179.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | Q73 R74 | Q73-G76 PolarHBondContact O-N 2.89Å; Q73-G76 VanDerWaalsContact O-N 3.08Å; R74-G76 PolarHBondContact O-N 2.74Å | ||
| 77 | P | 95.9 | Very high | 97 | Very high | 53 Ų | 53 | 45.4 Ų | 45.4 | 34% | 0.344 | 21% | 0.208 | S | C | . | . | trans | -62 | 153.9 | 175.3 | 27.2 | -34.7 | 0 | 0 | 0 | 111.4 | R72 Y79 | R72-P77 WeakPolarHBondContact CB-O 3.36Å; P77-Y79 HydrophobicContact CG-CE1 4.2Å; P77-Y79 HydrophobicContact CG-CE2 4.33Å; P77-Y79 WeakPolarHBondContact CG-OH 3.25Å; P77-Y79 WeakPolarHBondContact O-CE2 3.33Å | ||
| 78 | F | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | trans | -75.1 | 146.1 | 166.8 | -78.1 | -73.5 | 0 | 0 | 0 | 111 | I25 Q28 L29 Q32 F33 F70 F71 R72 | I25-F78 HydrophobicContact CD1-CZ 4.43Å; I25-F78 HydrophobicContact CG1-CE2 4.39Å; I25-F78 HydrophobicContact CG1-CZ 4.35Å; I25-F78 HydrophobicContact CG2-CE2 3.95Å; I25-F78 HydrophobicContact CG2-CZ 4.06Å; Q28-F78 HydrophobicContact CG-CD2 4.42Å; L29-F78 HydrophobicContact CD2-CB 3.77Å; L29-F78 HydrophobicContact CD2-CD2 3.98Å; L29-F78 HydrophobicContact CD2-CG 3.95Å; Q32-F78 PolarHBondContact NE2-O 2.88Å; Q32-F78 VanDerWaalsContact OE1-N 3.11Å; F33-F78 HydrophobicContact CE2-CB 4.46Å; F33-F78 WeakPolarHBondContact CZ-O 3.27Å; F70-F78 HydrophobicContact CB-CB 4.24Å; F70-F78 HydrophobicContact CB-CD1 3.7Å; F70-F78 HydrophobicContact CB-CE1 4.46Å; F70-F78 HydrophobicContact CB-CG 4.27Å; F70-F78 HydrophobicContact CD1-CB 4.16Å; F70-F78 HydrophobicContact CG-CB 4.47Å; F71-F78 CarbonylContact O-C 3.49Å; F71-F78 WeakPolarHBondContact O-CA 3.31Å; R72-F78 HydrophobicContact CB-CD1 4.05Å; R72-F78 HydrophobicContact CB-CE1 4.27Å; R72-F78 HydrophobicContact CG-CD1 4.21Å; R72-F78 HydrophobicContact CG-CE1 3.9Å; R72-F78 HydrophobicContact CG-CZ 4.4Å | ||
| 79 | Y | 98.4 | Very high | 96.9 | Very high | 29 Ų | 29 | 45.1 Ų | 45.1 | 11% | 0.114 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 131.2 | 172 | -55.7 | -73.7 | 0 | 0 | 0 | 108.4 | M1 F70 F71 P77 V131 V147 V167 | M1-Y79 HydrophobicContact CE-CE2 4.41Å; F70-Y79 CarbonylContact C-O 3.19Å; F70-Y79 WeakPolarHBondContact CA-O 3.42Å; F71-Y79 WeakPolarHBondContact CD1-O 3.05Å; F71-Y79 AromaticContact CD2-CD2 3.84Å; F71-Y79 HydrophobicContact CD2-CD2 3.84Å; F71-Y79 HydrophobicContact CD2-CG 4.41Å; F71-Y79 AromaticContact CE2-CD2 3.43Å; F71-Y79 HydrophobicContact CE2-CD2 3.43Å; F71-Y79 VanDerWaalsContact CE2-CD2 3.43Å; F71-Y79 HydrophobicContact CE2-CE2 4.38Å; F71-Y79 AromaticContact CE2-CG 3.78Å; F71-Y79 HydrophobicContact CE2-CG 3.78Å; F71-Y79 HydrophobicContact CZ-CD2 4.05Å; F71-Y79 AromaticContact CZ-CG 3.89Å; F71-Y79 HydrophobicContact CZ-CG 3.89Å; F71-Y79 PolarHBondContact N-O 2.81Å; F71-Y79 PolarHBondContact O-N 3.44Å; P77-Y79 HydrophobicContact CG-CE1 4.2Å; P77-Y79 HydrophobicContact CG-CE2 4.33Å; P77-Y79 WeakPolarHBondContact CG-OH 3.25Å; P77-Y79 WeakPolarHBondContact O-CE2 3.33Å; Y79-V131 HydrophobicContact CD1-CB 4.46Å; Y79-V131 HydrophobicContact CD1-CG1 3.78Å; Y79-V131 HydrophobicContact CD1-CG2 3.79Å; Y79-V131 HydrophobicContact CE1-CG1 4.4Å; Y79-V131 HydrophobicContact CE1-CG2 3.72Å; Y79-V147 HydrophobicContact CD1-CG2 4.22Å; Y79-V147 HydrophobicContact CE1-CG2 3.34Å; Y79-V167 HydrophobicContact CD1-CG2 4.12Å; Y79-V167 HydrophobicContact CE1-CG2 4.48Å; Y79-V167 HydrophobicContact CG-CG2 4.29Å |
| 80 | P | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 148.1 | 175 | 27.8 | -32.9 | 0 | 0 | 0 | 110.4 | F70 L84 L85 I91 L92 | F70-P80 HydrophobicContact CD1-CB 4.03Å; F70-P80 HydrophobicContact CE1-CB 3.79Å; P80-L84 HydrophobicContact CB-CD2 4.24Å; P80-L85 HydrophobicContact CG-CD1 4.47Å; P80-I91 HydrophobicContact CB-CD1 3.97Å; P80-I91 HydrophobicContact CG-CD1 4.29Å; P80-L92 HydrophobicContact CG-CD1 3.55Å; P80-L92 HydrophobicContact CG-CD2 4.41Å; P80-L92 HydrophobicContact CG-CG 4.02Å |
| 81 | T | 98.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | trans | -68.9 | 154.9 | 166.4 | 67.3 | 0 | 0 | 0 | 0 | 109.9 | L68 L69 F71 R83 L84 L85 L174 | L68-T81 HydrophobicContact CB-CG2 3.97Å; L68-T81 VanDerWaalsContact O-CG2 3.3Å; L68-T81 WeakPolarHBondContact O-CG2 3.48Å; L68-T81 PolarHBondContact O-OG1 2.99Å; L69-T81 PolarHBondContact O-N 2.84Å; L69-T81 PolarHBondContact O-OG1 3.35Å; F71-T81 HydrophobicContact CD1-CG2 4.41Å; T81-R83 PolarHBondContact O-N 2.8Å; T81-L84 PolarHBondContact O-N 2.79Å; T81-L84 PolarHBondContact OG1-N 2.82Å; T81-L85 WeakPolarHBondContact O-CB 3.07Å; T81-L85 PolarHBondContact O-N 2.79Å; T81-L174 HydrophobicContact CG2-CD2 4.18Å | ||
| 82 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.9 | -34 | 176.3 | -79.9 | 171.7 | 0 | 0 | 0 | 112.3 | L85 H86 A142 V145 H168 L170 W175 | L82-L85 HydrophobicContact CD2-CD2 4.36Å; L82-L85 PolarHBondContact O-N 3.44Å; L82-H86 WeakPolarHBondContact O-CB 3.29Å; L82-H86 PolarHBondContact O-CD2 3.46Å; L82-H86 PolarHBondContact O-N 3.24Å; L82-A142 HydrophobicContact CD2-CB 3.83Å; L82-V145 HydrophobicContact CD2-CG2 3.9Å; L82-V145 HydrophobicContact CG-CG2 4.21Å; L82-H168 PolarHBondContact N-CD2 3.44Å; L82-H168 PolarHBondContact N-NE2 2.88Å; L82-L170 HydrophobicContact CD1-CB 4.08Å; L82-W175 HydrophobicContact CB-CE3 3.94Å; L82-W175 HydrophobicContact CB-CZ3 3.81Å; L82-W175 HydrophobicContact CD1-CE3 4.43Å |
| 83 | R | 98.1 | Very high | 96.7 | Very high | 89 Ų | 89 | 50.7 Ų | 50.7 | 34% | 0.336 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.5 | -41.7 | 177.6 | -63.3 | -174.9 | -174.9 | -71.9 | -4.7 | 111.9 | T81 K87 W175 | T81-R83 PolarHBondContact O-N 2.8Å; R83-K87 PolarHBondContact O-N 2.93Å; R83-W175 HydrophobicContact CG-CE3 4.04Å; R83-W175 HydrophobicContact CG-CH2 4.26Å; R83-W175 HydrophobicContact CG-CZ3 3.64Å; R83-W175 PolarHBondContact NH2-O 2.84Å |
| 84 | L | 98.3 | Very high | 96.7 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.3 | -45.8 | 174.4 | -176.5 | 67.5 | 0 | 0 | 0 | 110.5 | I43 L69 F70 P80 T81 H86 K87 Y88 | I43-L84 HydrophobicContact CD1-CD1 4.15Å; I43-L84 HydrophobicContact CG1-CD1 4.28Å; I43-L84 HydrophobicContact CG2-CD1 4.04Å; L69-L84 HydrophobicContact CB-CD2 4.39Å; L69-L84 HydrophobicContact CD2-CD1 4.38Å; L69-L84 VanDerWaalsContact O-CD2 3.22Å; L69-L84 WeakPolarHBondContact O-CD2 3.18Å; F70-L84 HydrophobicContact CD2-CD2 3.99Å; F70-L84 HydrophobicContact CE1-CD2 4.01Å; F70-L84 HydrophobicContact CE2-CD2 3.4Å; F70-L84 VanDerWaalsContact CE2-CD2 3.4Å; F70-L84 HydrophobicContact CZ-CD2 3.4Å; F70-L84 VanDerWaalsContact CZ-CD2 3.4Å; P80-L84 HydrophobicContact CB-CD2 4.24Å; T81-L84 PolarHBondContact O-N 2.79Å; T81-L84 PolarHBondContact OG1-N 2.82Å; L84-H86 VanDerWaalsContact C-N 3.3Å; L84-H86 PolarHBondContact O-N 3.14Å; L84-K87 PolarHBondContact O-N 2.83Å; L84-K87 VanDerWaalsContact O-N 3.1Å; L84-Y88 HydrophobicContact CD1-CD2 3.61Å; L84-Y88 HydrophobicContact CD1-CE2 3.78Å; L84-Y88 HydrophobicContact CG-CD2 4.27Å; L84-Y88 PolarHBondContact O-N 2.9Å |
| 85 | L | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -33.7 | 180 | -172.3 | 61.9 | 0 | 0 | 0 | 112.7 | P80 T81 L82 K87 Y88 P89 I91 L92 A133 A142 V145 | P80-L85 HydrophobicContact CG-CD1 4.47Å; T81-L85 WeakPolarHBondContact O-CB 3.07Å; T81-L85 PolarHBondContact O-N 2.79Å; L82-L85 HydrophobicContact CD2-CD2 4.36Å; L82-L85 PolarHBondContact O-N 3.44Å; L85-K87 VanDerWaalsContact C-N 3.33Å; L85-Y88 CarbonylContact O-C 3.55Å; L85-Y88 PolarHBondContact O-N 2.85Å; L85-P89 WeakPolarHBondContact O-CA 3.15Å; L85-I91 HydrophobicContact CD1-CD1 4.23Å; L85-I91 HydrophobicContact CD1-CG1 3.86Å; L85-L92 HydrophobicContact CD1-CB 4.07Å; L85-L92 HydrophobicContact CD1-CD1 3.86Å; L85-L92 HydrophobicContact CD1-CG 3.91Å; L85-L92 HydrophobicContact CD2-CD1 4.02Å; L85-A133 HydrophobicContact CD1-CB 4.48Å; L85-A133 HydrophobicContact CD2-CB 3.72Å; L85-A133 HydrophobicContact CG-CB 4.45Å; L85-A142 HydrophobicContact CD2-CB 3.89Å; L85-V145 HydrophobicContact CD2-CG2 3.88Å |
| 86 | H | 98 | Very high | 97.5 | Very high | 42 Ų | 42 | 35 Ų | 35 | 19% | 0.194 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68 | -32.4 | 174.5 | -67.8 | 175.5 | 0 | 0 | 0 | 112.4 | L82 L84 H141 A142 W175 | L82-H86 WeakPolarHBondContact O-CB 3.29Å; L82-H86 PolarHBondContact O-CD2 3.46Å; L82-H86 PolarHBondContact O-N 3.24Å; L84-H86 VanDerWaalsContact C-N 3.3Å; L84-H86 PolarHBondContact O-N 3.14Å; H86-H141 AromaticContact CD2-CD2 3.99Å; H86-H141 AromaticContact CG-CD2 3.55Å; H86-H141 AromaticContact ND1-CD2 3.87Å; H86-A142 PolarHBondContact NE2-N 3.15Å; H86-A142 PolarHBondContact NE2-O 3.28Å; H86-W175 AromaticContact CE1-CH2 3.96Å; H86-W175 AromaticContact CE1-CZ3 3.97Å |
| 87 | K | 97.4 | Very high | 97.6 | Very high | 121 Ų | 121 | 33.9 Ų | 33.9 | 53% | 0.526 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -74.4 | -36.8 | 172.2 | -80.7 | 178.5 | 177.1 | 172.1 | 0 | 112 | E67 R83 L84 L85 | E67-K87 IonicContact OE1-NZ 2.86Å; E67-K87 PolarHBondContact OE1-NZ 2.88Å; E67-K87 IonicContact OE2-NZ 3.6Å; R83-K87 PolarHBondContact O-N 2.93Å; L84-K87 PolarHBondContact O-N 2.83Å; L84-K87 VanDerWaalsContact O-N 3.1Å; L85-K87 VanDerWaalsContact C-N 3.33Å |
| 88 | Y | 97.7 | Very high | 97.4 | Very high | 26 Ų | 26 | 33.4 Ų | 33.4 | 10% | 0.102 | 16% | 0.161 | C | C | . | . | trans | -129.3 | 68.9 | -175.1 | -52.6 | -74.5 | 0 | 0 | 0 | 111.2 | W39 I43 L84 L85 F90 I91 | W39-Y88 HydrophobicContact CB-CD1 4.44Å; W39-Y88 HydrophobicContact CB-CE1 4.06Å; W39-Y88 HydrophobicContact CD2-CD1 4.1Å; W39-Y88 AromaticContact CD2-CE1 3.72Å; W39-Y88 HydrophobicContact CD2-CE1 3.72Å; W39-Y88 HydrophobicContact CE3-CD1 4.34Å; W39-Y88 AromaticContact CE3-CE1 3.55Å; W39-Y88 HydrophobicContact CE3-CE1 3.55Å; W39-Y88 HydrophobicContact CG-CD1 4.13Å; W39-Y88 AromaticContact CG-CE1 3.94Å; W39-Y88 HydrophobicContact CG-CE1 3.94Å; W39-Y88 HydrophobicContact CZ3-CE1 4.23Å; I43-Y88 HydrophobicContact CD1-CD2 3.93Å; I43-Y88 HydrophobicContact CD1-CE2 3.62Å; I43-Y88 HydrophobicContact CG1-CD2 4.4Å; I43-Y88 HydrophobicContact CG1-CE2 3.61Å; L84-Y88 HydrophobicContact CD1-CD2 3.61Å; L84-Y88 HydrophobicContact CD1-CE2 3.78Å; L84-Y88 HydrophobicContact CG-CD2 4.27Å; L84-Y88 PolarHBondContact O-N 2.9Å; L85-Y88 CarbonylContact O-C 3.55Å; L85-Y88 PolarHBondContact O-N 2.85Å; Y88-F90 HydrophobicContact CD1-CE1 4.03Å; Y88-F90 AromaticContact CD1-CZ 3.65Å; Y88-F90 HydrophobicContact CD1-CZ 3.65Å; Y88-F90 HydrophobicContact CG-CZ 4.24Å; Y88-F90 PolarHBondContact O-N 3.2Å; Y88-I91 VanDerWaalsContact O-CG1 3.3Å; Y88-I91 WeakPolarHBondContact O-CG1 3.38Å; Y88-I91 PolarHBondContact O-N 3.33Å | ||
| 89 | P | 96.9 | Very high | 97 | Very high | 78 Ų | 78 | 38.9 Ų | 38.9 | 51% | 0.506 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -67.9 | -19.2 | -172.3 | 26.8 | -35.7 | 0 | 0 | 0 | 113.6 | L85 I91 | L85-P89 WeakPolarHBondContact O-CA 3.15Å; P89-I91 VanDerWaalsContact C-N 3.29Å; P89-I91 PolarHBondContact O-N 2.83Å |
| 90 | F | 96.1 | Very high | 96.7 | Very high | 86 Ų | 86 | 40.1 Ų | 40.1 | 38% | 0.377 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -74.7 | -12.8 | -179.6 | 53.9 | -98.7 | 0 | 0 | 0 | 113.8 | D35 W39 Y88 L92 | D35-F90 HydrophobicContact CB-CD2 3.99Å; D35-F90 HydrophobicContact CB-CE2 4.5Å; W39-F90 AromaticContact CD1-CE2 3.7Å; W39-F90 AromaticContact CD1-CZ 3.61Å; W39-F90 HydrophobicContact CD2-CZ 4.31Å; W39-F90 AromaticContact CE2-CZ 3.68Å; W39-F90 HydrophobicContact CG-CZ 4.26Å; W39-F90 HydrophobicContact CZ2-CZ 4.21Å; W39-F90 AromaticContact NE1-CE2 3.52Å; W39-F90 AromaticContact NE1-CZ 3.22Å; Y88-F90 HydrophobicContact CD1-CE1 4.03Å; Y88-F90 AromaticContact CD1-CZ 3.65Å; Y88-F90 HydrophobicContact CD1-CZ 3.65Å; Y88-F90 HydrophobicContact CG-CZ 4.24Å; Y88-F90 PolarHBondContact O-N 3.2Å; F90-L92 PolarHBondContact O-N 3.5Å |
| 91 | I | 96.9 | Very high | 96.3 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.036 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -73.2 | -14 | -177.1 | 73 | -173.7 | 0 | 0 | 0 | 113.3 | F33 I36 P80 L85 Y88 P89 | F33-I91 HydrophobicContact CB-CB 4.48Å; F33-I91 WeakPolarHBondContact CD1-O 3.42Å; I36-I91 HydrophobicContact CB-CG2 4.04Å; I36-I91 HydrophobicContact CD1-CD1 4.41Å; I36-I91 HydrophobicContact CD1-CG2 4.33Å; I36-I91 HydrophobicContact CG1-CG2 4.04Å; P80-I91 HydrophobicContact CB-CD1 3.97Å; P80-I91 HydrophobicContact CG-CD1 4.29Å; L85-I91 HydrophobicContact CD1-CD1 4.23Å; L85-I91 HydrophobicContact CD1-CG1 3.86Å; Y88-I91 VanDerWaalsContact O-CG1 3.3Å; Y88-I91 WeakPolarHBondContact O-CG1 3.38Å; Y88-I91 PolarHBondContact O-N 3.33Å; P89-I91 VanDerWaalsContact C-N 3.29Å; P89-I91 PolarHBondContact O-N 2.83Å |
| 92 | L | 97.4 | Very high | 96.1 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -127.4 | 143.8 | 175.4 | -67.4 | -175.2 | 0 | 0 | 0 | 110.7 | F33 P80 L85 F90 V131 A133 V145 | F33-L92 HydrophobicContact CD1-CD2 3.6Å; F33-L92 HydrophobicContact CE1-CD2 3.28Å; F33-L92 HydrophobicContact CZ-CD2 4.29Å; P80-L92 HydrophobicContact CG-CD1 3.55Å; P80-L92 HydrophobicContact CG-CD2 4.41Å; P80-L92 HydrophobicContact CG-CG 4.02Å; L85-L92 HydrophobicContact CD1-CB 4.07Å; L85-L92 HydrophobicContact CD1-CD1 3.86Å; L85-L92 HydrophobicContact CD1-CG 3.91Å; L85-L92 HydrophobicContact CD2-CD1 4.02Å; F90-L92 PolarHBondContact O-N 3.5Å; L92-V131 HydrophobicContact CD1-CG1 3.88Å; L92-V131 HydrophobicContact CD2-CB 4.02Å; L92-V131 HydrophobicContact CD2-CG1 3.88Å; L92-A133 HydrophobicContact CB-CB 4.34Å; L92-V145 HydrophobicContact CD1-CG1 4.3Å |
| 93 | P | 97.5 | Very high | 95.9 | Very high | 58 Ų | 58 | 50 Ų | 50 | 38% | 0.377 | 25% | 0.254 | S | S | . | . | trans | -60 | 151.2 | 158 | 26.1 | -30.1 | 0 | 0 | 0 | 109.5 | T130 V132 A133 | P93-T130 HydrophobicContact CG-CG2 3.85Å; P93-V132 HydrophobicContact CG-CG1 4.07Å; P93-V132 CarbonylContact O-C 3.59Å; P93-V132 VanDerWaalsContact O-CA 3.29Å; P93-V132 WeakPolarHBondContact O-CA 3.42Å; P93-A133 PolarHBondContact O-N 2.97Å | ||
| 94 | H | 97.3 | Very high | 95.9 | Very high | 72 Ų | 72 | 51.8 Ų | 51.8 | 33% | 0.333 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 154.9 | -179.6 | 74.7 | -92.5 | 0 | 0 | 0 | 111.7 | Y124 A133 M135 | H94-Y124 AromaticContact CD2-CE2 3.61Å; H94-Y124 AromaticContact NE2-CE2 3.25Å; H94-Y124 WeakPolarHBondContact NE2-CE2 3.03Å; H94-Y124 AromaticContact NE2-CZ 3.55Å; H94-Y124 PolarHBondContact NE2-OH 3.22Å; H94-Y124 WeakPolarHBondContact O-CD2 3.33Å; H94-A133 CarbonylContact C-O 3.56Å; H94-A133 WeakPolarHBondContact CA-O 3.1Å; H94-A133 HydrophobicContact CB-CB 3.87Å; H94-A133 WeakPolarHBondContact CB-O 3.23Å; H94-M135 HydrophobicContact CB-CG 3.74Å |
| 95 | Q | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 141.7 | 170.1 | -56.7 | -61.6 | -12.8 | 0 | 0 | 107.8 | L116 Y124 V132 A133 I134 M135 M148 I164 | Q95-L116 HydrophobicContact CB-CD2 4.09Å; Q95-Y124 PolarHBondContact NE2-O 2.87Å; Q95-V132 HydrophobicContact CG-CB 4.3Å; Q95-V132 HydrophobicContact CG-CG1 4.31Å; Q95-V132 HydrophobicContact CG-CG2 4.37Å; Q95-A133 PolarHBondContact N-O 3.38Å; Q95-I134 HydrophobicContact CB-CD1 4.04Å; Q95-M135 PolarHBondContact O-N 3.03Å; Q95-M148 HydrophobicContact CG-SD 4.15Å; Q95-I164 HydrophobicContact CB-CD1 3.97Å; Q95-I164 HydrophobicContact CG-CD1 3.81Å |
| 96 | Q | 98 | Very high | 95.6 | Very high | 26 Ų | 26 | 54 Ų | 54 | 12% | 0.121 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 123.2 | 177.5 | -174 | -178.2 | -61.7 | 0 | 0 | 109.8 | G120 A121 K122 M135 | Q96-G120 PolarHBondContact NE2-O 2.99Å; Q96-A121 VanDerWaalsContact O-CA 3.26Å; Q96-A121 WeakPolarHBondContact O-CA 3.48Å; Q96-A121 WeakPolarHBondContact O-CB 3.27Å; Q96-K122 HydrophobicContact CB-CB 3.81Å; Q96-K122 HydrophobicContact CB-CG 4.28Å; Q96-K122 PolarHBondContact N-O 2.86Å; Q96-K122 PolarHBondContact O-N 3.43Å; Q96-M135 WeakPolarHBondContact CA-O 3.47Å |
| 97 | V | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 155.4 | 168.3 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | A101 I111 L116 I134 M135 A136 E137 | V97-A101 HydrophobicContact CB-CB 3.92Å; V97-A101 HydrophobicContact CG2-CB 4.01Å; V97-I111 HydrophobicContact CG1-CG1 4.17Å; V97-I111 HydrophobicContact CG1-CG2 3.65Å; V97-L116 HydrophobicContact CG1-CD2 3.94Å; V97-I134 HydrophobicContact CG1-CG2 3.89Å; V97-I134 HydrophobicContact CG2-CG2 4.1Å; V97-M135 WeakPolarHBondContact CG2-O 3.28Å; V97-M135 PolarHBondContact N-O 2.94Å; V97-A136 HydrophobicContact CG2-CB 4.32Å; V97-E137 PolarHBondContact O-N 2.91Å |
| 98 | D | 91.2 | Very high | 95.4 | Very high | 42 Ų | 42 | 50 Ų | 50 | 23% | 0.225 | 27% | 0.272 | C | S | . | . | trans | -71.1 | 159.4 | 173.7 | -168.3 | -15.6 | 0 | 0 | 0 | 111.9 | G100 A101 S118 | D98-G100 PolarHBondContact O-N 2.82Å; D98-G100 VanDerWaalsContact O-N 3.14Å; D98-A101 WeakPolarHBondContact O-CB 3.46Å; D98-A101 PolarHBondContact O-N 3.23Å; D98-S118 WeakPolarHBondContact CB-OG 3.46Å; D98-S118 PolarHBondContact OD2-OG 3.37Å | ||
| 99 | K | 89.8 | Confident | 95.4 | Very high | 116 Ų | 116 | 50.6 Ų | 50.6 | 50% | 0.504 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -52.1 | -36.2 | 179.9 | -65.7 | 175.5 | -176.1 | 136.6 | 0 | 112.9 | A101 I102 E137 | K99-A101 PolarHBondContact O-N 3.01Å; K99-I102 HydrophobicContact CB-CD1 4.38Å; K99-I102 WeakPolarHBondContact O-CB 3.48Å; K99-I102 WeakPolarHBondContact O-CG1 3.31Å; K99-I102 PolarHBondContact O-N 3.42Å; K99-E137 VanDerWaalsContact CE-OE1 3.31Å; K99-E137 WeakPolarHBondContact CE-OE1 3.15Å; K99-E137 WeakPolarHBondContact CE-OE2 3.43Å; K99-E137 HydrophobicContact CG-CB 4.09Å; K99-E137 IonicContact NZ-OE1 3.02Å; K99-E137 PolarHBondContact NZ-OE1 3.28Å; K99-E137 IonicContact NZ-OE2 2.69Å; K99-E137 PolarHBondContact NZ-OE2 3.01Å; K99-E137 VanDerWaalsContact NZ-OE2 3.16Å |
| 100 | G | 90.9 | Very high | 95.5 | Very high | 56 Ų | 56 | 49.7 Ų | 49.7 | 58% | 0.577 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -62 | -29.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D98 F104 | D98-G100 PolarHBondContact O-N 2.82Å; D98-G100 VanDerWaalsContact O-N 3.14Å; G100-F104 WeakPolarHBondContact O-CD2 3.37Å; G100-F104 WeakPolarHBondContact O-CE2 3.5Å |
| 101 | A | 91.9 | Very high | 95.5 | Very high | 21 Ų | 21 | 45.9 Ų | 45.9 | 17% | 0.174 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -81.9 | -22.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | V97 D98 K99 K103 F104 V105 | V97-A101 HydrophobicContact CB-CB 3.92Å; V97-A101 HydrophobicContact CG2-CB 4.01Å; D98-A101 WeakPolarHBondContact O-CB 3.46Å; D98-A101 PolarHBondContact O-N 3.23Å; K99-A101 PolarHBondContact O-N 3.01Å; A101-K103 PolarHBondContact O-N 3.08Å; A101-F104 PolarHBondContact O-N 3.21Å; A101-V105 HydrophobicContact CB-CG2 4.48Å; A101-V105 WeakPolarHBondContact O-CG2 3.45Å; A101-V105 PolarHBondContact O-N 2.69Å |
| 102 | I | 93.3 | Very high | 95.5 | Very high | 31 Ų | 31 | 49.9 Ų | 49.9 | 16% | 0.159 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -50.6 | -52 | -171.1 | -63.7 | 178.1 | 0 | 0 | 0 | 112.1 | K99 F104 V105 L106 A136 L143 | K99-I102 HydrophobicContact CB-CD1 4.38Å; K99-I102 WeakPolarHBondContact O-CB 3.48Å; K99-I102 WeakPolarHBondContact O-CG1 3.31Å; K99-I102 PolarHBondContact O-N 3.42Å; I102-F104 VanDerWaalsContact C-N 3.28Å; I102-F104 PolarHBondContact O-N 3.36Å; I102-V105 PolarHBondContact O-N 2.8Å; I102-L106 HydrophobicContact CG2-CD1 3.96Å; I102-L106 HydrophobicContact CG2-CG 4.49Å; I102-L106 WeakPolarHBondContact O-CG 3.44Å; I102-L106 PolarHBondContact O-N 3.34Å; I102-A136 HydrophobicContact CD1-CB 3.66Å; I102-A136 HydrophobicContact CG1-CB 3.61Å; I102-L143 HydrophobicContact CB-CD1 4.25Å; I102-L143 HydrophobicContact CG1-CD1 4.03Å; I102-L143 HydrophobicContact CG2-CD1 3.87Å |
| 103 | K | 95.3 | Very high | 95.5 | Very high | 158 Ų | 158 | 49.4 Ų | 49.4 | 69% | 0.687 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -59.3 | -39.6 | -177.6 | -178.8 | -178.8 | 176.3 | -178.1 | 0 | 112.2 | A101 S107 | A101-K103 PolarHBondContact O-N 3.08Å; K103-S107 PolarHBondContact O-N 2.81Å; K103-S107 PolarHBondContact O-OG 3.26Å |
| 104 | F | 96.1 | Very high | 95.4 | Very high | 128 Ų | 128 | 49.8 Ų | 49.8 | 56% | 0.561 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -74.4 | -41 | -177.8 | -59.1 | -76.1 | 0 | 0 | 0 | 111.2 | G100 A101 I102 L106 S107 G108 A109 | G100-F104 WeakPolarHBondContact O-CD2 3.37Å; G100-F104 WeakPolarHBondContact O-CE2 3.5Å; A101-F104 PolarHBondContact O-N 3.21Å; I102-F104 VanDerWaalsContact C-N 3.28Å; I102-F104 PolarHBondContact O-N 3.36Å; F104-L106 VanDerWaalsContact C-N 3.33Å; F104-L106 PolarHBondContact O-N 3.49Å; F104-S107 CarbonylContact O-C 3.55Å; F104-S107 WeakPolarHBondContact O-CA 3.43Å; F104-S107 WeakPolarHBondContact O-CB 3.44Å; F104-S107 PolarHBondContact O-N 2.99Å; F104-G108 PolarHBondContact O-N 2.78Å; F104-A109 HydrophobicContact CB-CB 3.98Å; F104-A109 WeakPolarHBondContact O-CB 3.34Å; F104-A109 PolarHBondContact O-N 3.14Å |
| 105 | V | 96.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 175 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | A101 I102 S107 G108 I111 I134 L143 C144 N166 | A101-V105 HydrophobicContact CB-CG2 4.48Å; A101-V105 WeakPolarHBondContact O-CG2 3.45Å; A101-V105 PolarHBondContact O-N 2.69Å; I102-V105 PolarHBondContact O-N 2.8Å; V105-S107 PolarHBondContact O-N 3.26Å; V105-S107 VanDerWaalsContact O-N 3.13Å; V105-G108 PolarHBondContact O-N 2.94Å; V105-I111 HydrophobicContact CG2-CD1 4.49Å; V105-I111 HydrophobicContact CG2-CG1 4.04Å; V105-I134 HydrophobicContact CG1-CG2 4.48Å; V105-L143 HydrophobicContact CG1-CB 4.18Å; V105-C144 HydrophobicContact CG1-CB 3.59Å; V105-N166 PolarHBondContact O-ND2 3.32Å; V105-N166 VanDerWaalsContact O-ND2 3.14Å |
| 106 | L | 95.7 | Very high | 95.1 | Very high | 55 Ų | 55 | 47.4 Ų | 47.4 | 29% | 0.288 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -3.4 | 175.2 | -66.3 | -179.9 | 0 | 0 | 0 | 114.2 | I102 F104 L143 Y169 L170 | I102-L106 HydrophobicContact CG2-CD1 3.96Å; I102-L106 HydrophobicContact CG2-CG 4.49Å; I102-L106 WeakPolarHBondContact O-CG 3.44Å; I102-L106 PolarHBondContact O-N 3.34Å; F104-L106 VanDerWaalsContact C-N 3.33Å; F104-L106 PolarHBondContact O-N 3.49Å; L106-L143 HydrophobicContact CD2-CB 4.18Å; L106-L143 HydrophobicContact CD2-CD2 4.31Å; L106-Y169 VanDerWaalsContact O-CD2 3.31Å; L106-Y169 WeakPolarHBondContact O-CD2 3.26Å; L106-Y169 WeakPolarHBondContact O-CE2 3.36Å; L106-L170 HydrophobicContact CD2-CB 3.76Å |
| 107 | S | 95.9 | Very high | 94.9 | Very high | 56 Ų | 56 | 48.6 Ų | 48.6 | 39% | 0.392 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 7.3 | 171.5 | -55.5 | 0 | 0 | 0 | 0 | 112.6 | K3 K103 F104 V105 | K3-S107 WeakPolarHBondContact CE-O 3.39Å; K3-S107 PolarHBondContact NZ-O 2.81Å; K103-S107 PolarHBondContact O-N 2.81Å; K103-S107 PolarHBondContact O-OG 3.26Å; F104-S107 CarbonylContact O-C 3.55Å; F104-S107 WeakPolarHBondContact O-CA 3.43Å; F104-S107 WeakPolarHBondContact O-CB 3.44Å; F104-S107 PolarHBondContact O-N 2.99Å; V105-S107 PolarHBondContact O-N 3.26Å; V105-S107 VanDerWaalsContact O-N 3.13Å |
| 108 | G | 95.2 | Very high | 94.7 | Very high | 23 Ų | 23 | 50 Ų | 50 | 24% | 0.237 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 17.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | F104 V105 | F104-G108 PolarHBondContact O-N 2.78Å; V105-G108 PolarHBondContact O-N 2.94Å |
| 109 | A | 97.4 | Very high | 94.8 | Very high | 38 Ų | 38 | 54.6 Ų | 54.6 | 31% | 0.314 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 149.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F104 N166 | F104-A109 HydrophobicContact CB-CB 3.98Å; F104-A109 WeakPolarHBondContact O-CB 3.34Å; F104-A109 PolarHBondContact O-N 3.14Å; A109-N166 VanDerWaalsContact O-CB 3.29Å; A109-N166 WeakPolarHBondContact O-CB 3.29Å; A109-N166 PolarHBondContact O-ND2 3.47Å; A109-N166 VanDerWaalsContact O-ND2 3.11Å |
| 110 | N | 98 | Very high | 94.9 | Very high | 59 Ų | 59 | 49.6 Ų | 49.6 | 32% | 0.316 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 156.6 | 168.7 | -68.4 | -24.2 | 0 | 0 | 0 | 110.9 | I162 E165 N166 | N110-I162 HydrophobicContact CB-CG1 4.45Å; N110-I162 HydrophobicContact CB-CG2 3.94Å; N110-E165 WeakPolarHBondContact OD1-CA 3.13Å; N110-N166 PolarHBondContact OD1-N 3.23Å |
| 111 | I | 97.7 | Very high | 95.2 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 118 | 178.6 | -55.9 | 82.3 | 0 | 0 | 0 | 108 | V97 V105 L116 I134 G163 I164 | V97-I111 HydrophobicContact CG1-CG1 4.17Å; V97-I111 HydrophobicContact CG1-CG2 3.65Å; V105-I111 HydrophobicContact CG2-CD1 4.49Å; V105-I111 HydrophobicContact CG2-CG1 4.04Å; I111-L116 HydrophobicContact CG2-CD1 3.83Å; I111-L116 HydrophobicContact CG2-CD2 3.95Å; I111-L116 HydrophobicContact CG2-CG 3.64Å; I111-I134 HydrophobicContact CD1-CD1 4.4Å; I111-I134 HydrophobicContact CD1-CG1 4.06Å; I111-I134 HydrophobicContact CG1-CG2 4.46Å; I111-G163 PolarHBondContact O-N 3.07Å; I111-I164 HydrophobicContact CB-CB 4.08Å; I111-I164 HydrophobicContact CD1-CB 4.14Å; I111-I164 HydrophobicContact CD1-CG2 4.36Å; I111-I164 PolarHBondContact N-O 3.45Å; I111-I164 PolarHBondContact O-N 3.32Å; I111-I164 VanDerWaalsContact O-N 3.08Å |
| 112 | M | 96.8 | Very high | 95.4 | Very high | 91 Ų | 91 | 51.8 Ų | 51.8 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 148.9 | 178.2 | -53.8 | -56.7 | -71.4 | 0 | 0 | 110.1 | P114 G115 G161 I162 | M112-P114 VanDerWaalsContact C-N 3.33Å; M112-G115 WeakPolarHBondContact O-CA 3.18Å; M112-G115 PolarHBondContact O-N 3.08Å; M112-G161 WeakPolarHBondContact CA-O 3.43Å; M112-G161 WeakPolarHBondContact CE-O 3.32Å; M112-I162 HydrophobicContact CE-CG1 4.23Å; M112-I162 HydrophobicContact SD-CG1 3.81Å |
| 113 | C | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -52 | -42.6 | -179.5 | -56.9 | 0 | 0 | 0 | 0 | 113.8 | G115 L116 T117 I155 K160 G161 | C113-G115 PolarHBondContact O-N 3.36Å; C113-G115 VanDerWaalsContact O-N 3.14Å; C113-L116 WeakPolarHBondContact O-CB 3.48Å; C113-L116 PolarHBondContact O-N 3.15Å; C113-T117 PolarHBondContact O-N 2.97Å; C113-T117 PolarHBondContact O-OG1 2.92Å; C113-I155 HydrophobicContact CB-CG2 3.93Å; C113-K160 PolarHBondContact SG-O 3.49Å; C113-K160 VanDerWaalsContact SG-O 3.37Å; C113-G161 PolarHBondContact N-O 3.11Å; C113-G161 PolarHBondContact SG-O 3.33Å; C113-G161 VanDerWaalsContact SG-O 3.41Å |
| 114 | P | 94.8 | Very high | 95.7 | Very high | 66 Ų | 66 | 48.9 Ų | 48.9 | 43% | 0.429 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -59.7 | -24.6 | 175 | -26.8 | 36.5 | 0 | 0 | 0 | 115 | M112 L116 T117 S118 N159 | M112-P114 VanDerWaalsContact C-N 3.33Å; P114-L116 PolarHBondContact O-N 2.91Å; P114-T117 WeakPolarHBondContact CA-OG1 3.3Å; P114-S118 PolarHBondContact O-N 2.71Å; P114-N159 VanDerWaalsContact CA-OD1 3.25Å; P114-N159 WeakPolarHBondContact CA-OD1 3.43Å; P114-N159 WeakPolarHBondContact CG-O 3.39Å |
| 115 | G | 93.8 | Very high | 95.8 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -77.1 | -7.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | M112 C113 | M112-G115 WeakPolarHBondContact O-CA 3.18Å; M112-G115 PolarHBondContact O-N 3.08Å; C113-G115 PolarHBondContact O-N 3.36Å; C113-G115 VanDerWaalsContact O-N 3.14Å |
| 116 | L | 95.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -10 | 179.1 | -67.3 | 164.9 | 0 | 0 | 0 | 113 | Q95 V97 I111 C113 P114 A121 L123 I155 I164 | Q95-L116 HydrophobicContact CB-CD2 4.09Å; V97-L116 HydrophobicContact CG1-CD2 3.94Å; I111-L116 HydrophobicContact CG2-CD1 3.83Å; I111-L116 HydrophobicContact CG2-CD2 3.95Å; I111-L116 HydrophobicContact CG2-CG 3.64Å; C113-L116 WeakPolarHBondContact O-CB 3.48Å; C113-L116 PolarHBondContact O-N 3.15Å; P114-L116 PolarHBondContact O-N 2.91Å; L116-A121 WeakPolarHBondContact O-CB 3.22Å; L116-L123 HydrophobicContact CB-CD1 4.15Å; L116-L123 HydrophobicContact CD1-CD1 4.35Å; L116-L123 HydrophobicContact CD2-CD1 4.5Å; L116-I155 HydrophobicContact CB-CG2 3.95Å; L116-I155 HydrophobicContact CD1-CD1 3.92Å; L116-I155 HydrophobicContact CD1-CG2 4.01Å; L116-I164 HydrophobicContact CD1-CD1 3.64Å; L116-I164 HydrophobicContact CD1-CG1 3.83Å; L116-I164 HydrophobicContact CD2-CD1 4.03Å; L116-I164 HydrophobicContact CG-CD1 4.48Å |
| 117 | T | 94.6 | Very high | 96 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 32% | 0.319 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -115 | 4.4 | -178.3 | 57.4 | 0 | 0 | 0 | 0 | 112.9 | C113 P114 I155 N159 | C113-T117 PolarHBondContact O-N 2.97Å; C113-T117 PolarHBondContact O-OG1 2.92Å; P114-T117 WeakPolarHBondContact CA-OG1 3.3Å; T117-I155 HydrophobicContact CG2-CG2 4.32Å; T117-N159 PolarHBondContact OG1-OD1 2.9Å |
| 118 | S | 93.3 | Very high | 96.1 | Very high | 29 Ų | 29 | 49 Ų | 49 | 20% | 0.203 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -77.1 | 164.4 | 176.5 | 76.9 | 0 | 0 | 0 | 0 | 111.9 | D98 P114 G120 A121 | D98-S118 WeakPolarHBondContact CB-OG 3.46Å; D98-S118 PolarHBondContact OD2-OG 3.37Å; P114-S118 PolarHBondContact O-N 2.71Å; S118-G120 PolarHBondContact O-N 3.06Å; S118-G120 VanDerWaalsContact O-N 3.15Å; S118-A121 WeakPolarHBondContact O-CB 3.29Å; S118-A121 PolarHBondContact O-N 3.02Å |
| 119 | P | 92.6 | Very high | 96.1 | Very high | 139 Ų | 139 | 53.6 Ų | 53.6 | 90% | 0.903 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -29.3 | -175.7 | -26.7 | 35.7 | 0 | 0 | 0 | 115.4 | ||
| 120 | G | 92.3 | Very high | 96.1 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 11% | 0.113 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -6.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q96 S118 | Q96-G120 PolarHBondContact NE2-O 2.99Å; S118-G120 PolarHBondContact O-N 3.06Å; S118-G120 VanDerWaalsContact O-N 3.15Å |
| 121 | A | 95.9 | Very high | 96.1 | Very high | 15 Ų | 15 | 51.7 Ų | 51.7 | 12% | 0.124 | 31% | 0.314 | C | S | . | . | trans | -86.8 | 154.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q96 L116 S118 | Q96-A121 VanDerWaalsContact O-CA 3.26Å; Q96-A121 WeakPolarHBondContact O-CA 3.48Å; Q96-A121 WeakPolarHBondContact O-CB 3.27Å; L116-A121 WeakPolarHBondContact O-CB 3.22Å; S118-A121 WeakPolarHBondContact O-CB 3.29Å; S118-A121 PolarHBondContact O-N 3.02Å | ||
| 122 | K | 97.4 | Very high | 96.2 | Very high | 107 Ų | 107 | 51.5 Ų | 51.5 | 47% | 0.465 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -134.2 | 113.6 | 169.9 | -57.9 | -179.1 | 179 | 177 | 0 | 108.3 | Q96 Y124 | Q96-K122 HydrophobicContact CB-CB 3.81Å; Q96-K122 HydrophobicContact CB-CG 4.28Å; Q96-K122 PolarHBondContact N-O 2.86Å; Q96-K122 PolarHBondContact O-N 3.43Å; K122-Y124 HydrophobicContact CB-CD2 4.5Å; K122-Y124 HydrophobicContact CB-CE2 3.76Å |
| 123 | L | 97.3 | Very high | 96.3 | Very high | 45 Ų | 45 | 47.3 Ų | 47.3 | 24% | 0.236 | 29% | 0.292 | C | S | . | . | trans | -99 | 120.9 | 177.7 | -173.1 | 70 | 0 | 0 | 0 | 109.2 | L116 A152 I155 E156 | L116-L123 HydrophobicContact CB-CD1 4.15Å; L116-L123 HydrophobicContact CD1-CD1 4.35Å; L116-L123 HydrophobicContact CD2-CD1 4.5Å; L123-A152 HydrophobicContact CD1-CB 4.13Å; L123-A152 HydrophobicContact CD2-CB 4.2Å; L123-A152 VanDerWaalsContact CD2-O 3.23Å; L123-A152 WeakPolarHBondContact CD2-O 3.47Å; L123-A152 HydrophobicContact CG-CB 3.97Å; L123-I155 HydrophobicContact CD1-CD1 4.35Å; L123-I155 HydrophobicContact CD1-CG2 4.22Å; L123-I155 HydrophobicContact CD2-CB 4.02Å; L123-I155 HydrophobicContact CD2-CG2 3.79Å; L123-E156 HydrophobicContact CD2-CB 4.08Å | ||
| 124 | Y | 97.8 | Very high | 96.3 | Very high | 84 Ų | 84 | 47.3 Ų | 47.3 | 33% | 0.329 | 29% | 0.292 | S | S | . | . | trans | -106 | 154.5 | 177.8 | -60.6 | -86.6 | 0 | 0 | 0 | 110.4 | H94 Q95 K122 A126 A152 | H94-Y124 AromaticContact CD2-CE2 3.61Å; H94-Y124 AromaticContact NE2-CE2 3.25Å; H94-Y124 WeakPolarHBondContact NE2-CE2 3.03Å; H94-Y124 AromaticContact NE2-CZ 3.55Å; H94-Y124 PolarHBondContact NE2-OH 3.22Å; H94-Y124 WeakPolarHBondContact O-CD2 3.33Å; Q95-Y124 PolarHBondContact NE2-O 2.87Å; K122-Y124 HydrophobicContact CB-CD2 4.5Å; K122-Y124 HydrophobicContact CB-CE2 3.76Å; Y124-A126 PolarHBondContact O-N 3.21Å; Y124-A152 WeakPolarHBondContact O-CB 3.38Å | ||
| 125 | P | 98.1 | Very high | 96.5 | Very high | 122 Ų | 122 | 45.7 Ų | 45.7 | 79% | 0.792 | 28% | 0.279 | S | S | * | . | trans | -55.1 | 123.5 | 177.2 | -26 | 35.3 | 0 | 0 | 0 | 112.2 | ||||
| 126 | A | 97.5 | Very high | 96.5 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 12% | 0.124 | 27% | 0.271 | C | S | . | . | trans | -154.1 | 140.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y124 T130 V132 M148 S151 A152 | Y124-A126 PolarHBondContact O-N 3.21Å; A126-T130 HydrophobicContact CB-CG2 4.43Å; A126-V132 HydrophobicContact CB-CG1 4.31Å; A126-M148 HydrophobicContact CB-CE 4.01Å; A126-M148 HydrophobicContact CB-CG 3.91Å; A126-M148 HydrophobicContact CB-SD 4.1Å; A126-S151 WeakPolarHBondContact O-CA 3.07Å; A126-A152 PolarHBondContact O-N 2.74Å | ||
| 127 | A | 97.8 | Very high | 96.3 | Very high | 58 Ų | 58 | 47.6 Ų | 47.6 | 48% | 0.479 | 28% | 0.284 | S | S | . | . | trans | -78.9 | 164.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T130 M148 | A127-T130 PolarHBondContact N-OG1 3Å; A127-T130 VanDerWaalsContact O-CB 3.27Å; A127-T130 WeakPolarHBondContact O-CB 3.42Å; A127-T130 PolarHBondContact O-N 2.82Å; A127-T130 PolarHBondContact O-OG1 2.84Å; A127-M148 WeakPolarHBondContact O-CB 3.42Å; A127-M148 WeakPolarHBondContact O-CG 3.39Å | ||
| 128 | A | 97.6 | Very high | 96.1 | Very high | 48 Ų | 48 | 48.9 Ų | 48.9 | 40% | 0.397 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 151.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | T130 | A128-T130 PolarHBondContact O-N 2.8Š|
| 129 | D | 96.6 | Very high | 96.1 | Very high | 121 Ų | 121 | 53.2 Ų | 53.2 | 65% | 0.647 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 3.1 | -176.9 | -55.9 | -48.3 | 0 | 0 | 0 | 115.7 | V131 M148 | D129-V131 PolarHBondContact O-N 3.09Å; D129-M148 WeakPolarHBondContact CA-O 3.02Å; D129-M148 PolarHBondContact N-O 3.46Å |
| 130 | T | 97.4 | Very high | 96.1 | Very high | 43 Ų | 43 | 54.9 Ų | 54.9 | 26% | 0.264 | 32% | 0.318 | S | S | . | . | trans | -69 | 131.9 | 171.6 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | P93 A126 A127 A128 V132 M148 | P93-T130 HydrophobicContact CG-CG2 3.85Å; A126-T130 HydrophobicContact CB-CG2 4.43Å; A127-T130 PolarHBondContact N-OG1 3Å; A127-T130 VanDerWaalsContact O-CB 3.27Å; A127-T130 WeakPolarHBondContact O-CB 3.42Å; A127-T130 PolarHBondContact O-N 2.82Å; A127-T130 PolarHBondContact O-OG1 2.84Å; A128-T130 PolarHBondContact O-N 2.8Å; T130-V132 HydrophobicContact CG2-CG1 4.22Å; T130-M148 WeakPolarHBondContact O-CG 3.18Å; T130-M148 PolarHBondContact O-N 3.32Å | ||
| 131 | V | 98 | Very high | 96.3 | Very high | 14 Ų | 14 | 59 Ų | 59 | 9% | 0.085 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 130.2 | 171.8 | -173.6 | 0 | 0 | 0 | 0 | 109 | Y79 L92 D129 V145 G146 | Y79-V131 HydrophobicContact CD1-CB 4.46Å; Y79-V131 HydrophobicContact CD1-CG1 3.78Å; Y79-V131 HydrophobicContact CD1-CG2 3.79Å; Y79-V131 HydrophobicContact CE1-CG1 4.4Å; Y79-V131 HydrophobicContact CE1-CG2 3.72Å; L92-V131 HydrophobicContact CD1-CG1 3.88Å; L92-V131 HydrophobicContact CD2-CB 4.02Å; L92-V131 HydrophobicContact CD2-CG1 3.88Å; D129-V131 PolarHBondContact O-N 3.09Å; V131-V145 HydrophobicContact CG1-CG1 3.78Å; V131-G146 WeakPolarHBondContact CA-O 3.33Å |
| 132 | V | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 148.5 | -174.7 | -68.4 | 0 | 0 | 0 | 0 | 112.1 | P93 Q95 A126 T130 I134 G146 M148 I164 | P93-V132 HydrophobicContact CG-CG1 4.07Å; P93-V132 CarbonylContact O-C 3.59Å; P93-V132 VanDerWaalsContact O-CA 3.29Å; P93-V132 WeakPolarHBondContact O-CA 3.42Å; Q95-V132 HydrophobicContact CG-CB 4.3Å; Q95-V132 HydrophobicContact CG-CG1 4.31Å; Q95-V132 HydrophobicContact CG-CG2 4.37Å; A126-V132 HydrophobicContact CB-CG1 4.31Å; T130-V132 HydrophobicContact CG2-CG1 4.22Å; V132-I134 HydrophobicContact CG2-CD1 3.95Å; V132-G146 PolarHBondContact N-O 2.88Å; V132-G146 PolarHBondContact O-N 3.2Å; V132-M148 HydrophobicContact CB-SD 4.47Å; V132-M148 HydrophobicContact CG1-CG 3.8Å; V132-M148 HydrophobicContact CG1-SD 3.8Å; V132-M148 HydrophobicContact CG2-CG 4.28Å; V132-M148 HydrophobicContact CG2-SD 3.87Å; V132-I164 HydrophobicContact CG2-CD1 4.25Å; V132-I164 HydrophobicContact CG2-CG2 3.85Å |
| 133 | A | 98.5 | Very high | 96.4 | Very high | 3 Ų | 3 | 54 Ų | 54 | 3% | 0.025 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 132.3 | 167 | 0 | 0 | 0 | 0 | 0 | 110.3 | L85 L92 P93 H94 Q95 M135 A142 | L85-A133 HydrophobicContact CD1-CB 4.48Å; L85-A133 HydrophobicContact CD2-CB 3.72Å; L85-A133 HydrophobicContact CG-CB 4.45Å; L92-A133 HydrophobicContact CB-CB 4.34Å; P93-A133 PolarHBondContact O-N 2.97Å; H94-A133 CarbonylContact C-O 3.56Å; H94-A133 WeakPolarHBondContact CA-O 3.1Å; H94-A133 HydrophobicContact CB-CB 3.87Å; H94-A133 WeakPolarHBondContact CB-O 3.23Å; Q95-A133 PolarHBondContact N-O 3.38Å; A133-M135 HydrophobicContact CB-SD 4.45Å; A133-A142 HydrophobicContact CB-CB 4.27Å |
| 134 | I | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 106.7 | 174.8 | -55.1 | -54.4 | 0 | 0 | 0 | 109.7 | Q95 V97 V105 I111 V132 A142 L143 C144 I164 | Q95-I134 HydrophobicContact CB-CD1 4.04Å; V97-I134 HydrophobicContact CG1-CG2 3.89Å; V97-I134 HydrophobicContact CG2-CG2 4.1Å; V105-I134 HydrophobicContact CG1-CG2 4.48Å; I111-I134 HydrophobicContact CD1-CD1 4.4Å; I111-I134 HydrophobicContact CD1-CG1 4.06Å; I111-I134 HydrophobicContact CG1-CG2 4.46Å; V132-I134 HydrophobicContact CG2-CD1 3.95Å; I134-A142 CarbonylContact O-C 3.59Å; I134-A142 WeakPolarHBondContact O-CA 2.79Å; I134-L143 PolarHBondContact O-N 2.6Å; I134-C144 HydrophobicContact CB-CB 4.21Å; I134-C144 HydrophobicContact CG1-CB 4.47Å; I134-C144 VanDerWaalsContact CG1-SG 3.55Å; I134-C144 PolarHBondContact N-O 3.29Å; I134-I164 HydrophobicContact CD1-CD1 3.59Å; I134-I164 HydrophobicContact CD1-CG2 4.17Å |
| 135 | M | 97.9 | Very high | 96.4 | Very high | 32 Ų | 32 | 47.8 Ų | 47.8 | 16% | 0.158 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 162.2 | 174.6 | -50.2 | -55.9 | -73.3 | 0 | 0 | 109.9 | H94 Q95 Q96 V97 A133 Q140 A142 | H94-M135 HydrophobicContact CB-CG 3.74Å; Q95-M135 PolarHBondContact O-N 3.03Å; Q96-M135 WeakPolarHBondContact CA-O 3.47Å; V97-M135 WeakPolarHBondContact CG2-O 3.28Å; V97-M135 PolarHBondContact N-O 2.94Å; A133-M135 HydrophobicContact CB-SD 4.45Å; M135-Q140 VanDerWaalsContact CE-O 3.23Å; M135-Q140 WeakPolarHBondContact CE-O 3.43Å; M135-A142 VanDerWaalsContact SD-CA 3.56Å; M135-A142 HydrophobicContact SD-CB 3.76Å |
| 136 | A | 94.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 150 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V97 I102 G138 K139 L143 | V97-A136 HydrophobicContact CG2-CB 4.32Å; I102-A136 HydrophobicContact CD1-CB 3.66Å; I102-A136 HydrophobicContact CG1-CB 3.61Å; A136-G138 PolarHBondContact O-N 2.95Å; A136-K139 HydrophobicContact CB-CB 4.35Å; A136-K139 HydrophobicContact CB-CG 4.09Å; A136-K139 PolarHBondContact O-N 2.71Å; A136-L143 HydrophobicContact CB-CD1 3.42Å; A136-L143 VanDerWaalsContact CB-CD1 3.42Å; A136-L143 HydrophobicContact CB-CG 4.13Å |
| 137 | E | 90.6 | Very high | 96.5 | Very high | 61 Ų | 61 | 41.6 Ų | 41.6 | 29% | 0.285 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | 124.2 | 175.6 | -161.9 | -156.5 | 149 | 0 | 0 | 111 | V97 K99 K139 | V97-E137 PolarHBondContact O-N 2.91Å; K99-E137 VanDerWaalsContact CE-OE1 3.31Å; K99-E137 WeakPolarHBondContact CE-OE1 3.15Å; K99-E137 WeakPolarHBondContact CE-OE2 3.43Å; K99-E137 HydrophobicContact CG-CB 4.09Å; K99-E137 IonicContact NZ-OE1 3.02Å; K99-E137 PolarHBondContact NZ-OE1 3.28Å; K99-E137 IonicContact NZ-OE2 2.69Å; K99-E137 PolarHBondContact NZ-OE2 3.01Å; K99-E137 VanDerWaalsContact NZ-OE2 3.16Å; E137-K139 VanDerWaalsContact C-N 3.34Å; E137-K139 PolarHBondContact O-N 2.92Å |
| 138 | G | 90.6 | Very high | 96.5 | Very high | 78 Ų | 78 | 38.8 Ų | 38.8 | 80% | 0.804 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 12.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A136 | A136-G138 PolarHBondContact O-N 2.95Š|
| 139 | K | 93.1 | Very high | 96.5 | Very high | 121 Ų | 121 | 40.9 Ų | 40.9 | 53% | 0.526 | 22% | 0.219 | S | C | . | . | trans | -117.7 | 138.5 | 173.3 | -56.9 | -60 | 176.6 | -170.4 | 0 | 110.9 | A136 E137 | A136-K139 HydrophobicContact CB-CB 4.35Å; A136-K139 HydrophobicContact CB-CG 4.09Å; A136-K139 PolarHBondContact O-N 2.71Å; E137-K139 VanDerWaalsContact C-N 3.34Å; E137-K139 PolarHBondContact O-N 2.92Å | ||
| 140 | Q | 92.9 | Very high | 96.6 | Very high | 174 Ų | 174 | 37.1 Ų | 37.1 | 81% | 0.813 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -84 | -26.2 | 179.7 | -69 | -178.9 | -18.4 | 0 | 0 | 113.3 | M135 | M135-Q140 VanDerWaalsContact CE-O 3.23Å; M135-Q140 WeakPolarHBondContact CE-O 3.43Å |
| 141 | H | 96.3 | Very high | 96.6 | Very high | 98 Ų | 98 | 36.3 Ų | 36.3 | 45% | 0.454 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -108.9 | 147.8 | -173.6 | -66.4 | 107.4 | 0 | 0 | 0 | 111.4 | H86 | H86-H141 AromaticContact CD2-CD2 3.99Å; H86-H141 AromaticContact CG-CD2 3.55Å; H86-H141 AromaticContact ND1-CD2 3.87Å |
| 142 | A | 97.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | trans | -61.2 | 135.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L82 L85 H86 A133 I134 M135 | L82-A142 HydrophobicContact CD2-CB 3.83Å; L85-A142 HydrophobicContact CD2-CB 3.89Å; H86-A142 PolarHBondContact NE2-N 3.15Å; H86-A142 PolarHBondContact NE2-O 3.28Å; A133-A142 HydrophobicContact CB-CB 4.27Å; I134-A142 CarbonylContact O-C 3.59Å; I134-A142 WeakPolarHBondContact O-CA 2.79Å; M135-A142 VanDerWaalsContact SD-CA 3.56Å; M135-A142 HydrophobicContact SD-CB 3.76Å | ||
| 143 | L | 97.1 | Very high | 96.6 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -85.4 | -30.2 | 175.7 | -59.3 | -176.8 | 0 | 0 | 0 | 112 | I102 V105 L106 I134 A136 Y169 L170 | I102-L143 HydrophobicContact CB-CD1 4.25Å; I102-L143 HydrophobicContact CG1-CD1 4.03Å; I102-L143 HydrophobicContact CG2-CD1 3.87Å; V105-L143 HydrophobicContact CG1-CB 4.18Å; L106-L143 HydrophobicContact CD2-CB 4.18Å; L106-L143 HydrophobicContact CD2-CD2 4.31Å; I134-L143 PolarHBondContact O-N 2.6Å; A136-L143 HydrophobicContact CB-CD1 3.42Å; A136-L143 VanDerWaalsContact CB-CD1 3.42Å; A136-L143 HydrophobicContact CB-CG 4.13Å; L143-Y169 WeakPolarHBondContact O-CA 3.38Å; L143-L170 PolarHBondContact O-N 3.08Å |
| 144 | C | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 155.2 | -176 | 130.7 | 0 | 0 | 0 | 0 | 111.1 | V105 I134 N166 H168 | V105-C144 HydrophobicContact CG1-CB 3.59Å; I134-C144 HydrophobicContact CB-CB 4.21Å; I134-C144 HydrophobicContact CG1-CB 4.47Å; I134-C144 VanDerWaalsContact CG1-SG 3.55Å; I134-C144 PolarHBondContact N-O 3.29Å; C144-N166 VanDerWaalsContact SG-CG 3.55Å; C144-H168 CarbonylContact C-O 3.58Å; C144-H168 WeakPolarHBondContact CA-O 3.33Å; C144-H168 WeakPolarHBondContact CB-O 3.21Å |
| 145 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131.4 | 162.4 | -177.2 | 0 | 0 | 0 | 0 | 106.8 | L82 L85 L92 V131 V167 H168 | L82-V145 HydrophobicContact CD2-CG2 3.9Å; L82-V145 HydrophobicContact CG-CG2 4.21Å; L85-V145 HydrophobicContact CD2-CG2 3.88Å; L92-V145 HydrophobicContact CD1-CG1 4.3Å; V131-V145 HydrophobicContact CG1-CG1 3.78Å; V145-V167 HydrophobicContact CB-CG2 4.05Å; V145-V167 HydrophobicContact CG1-CG2 3.91Å; V145-V167 WeakPolarHBondContact O-CG2 3.29Å; V145-V167 PolarHBondContact O-N 3.33Å; V145-H168 HydrophobicContact CB-CB 4.49Å; V145-H168 PolarHBondContact N-O 3.01Å; V145-H168 PolarHBondContact O-N 3.32Å |
| 146 | G | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 170.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V131 V132 E165 | V131-G146 WeakPolarHBondContact CA-O 3.33Å; V132-G146 PolarHBondContact N-O 2.88Å; V132-G146 PolarHBondContact O-N 3.2Å; G146-E165 CarbonylContact C-O 3.49Å; G146-E165 WeakPolarHBondContact CA-O 3.48Å |
| 147 | V | 98.3 | Very high | 96.5 | Very high | 6 Ų | 6 | 56.6 Ų | 56.6 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126.7 | 174.5 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | Y79 K149 I164 E165 V167 | Y79-V147 HydrophobicContact CD1-CG2 4.22Å; Y79-V147 HydrophobicContact CE1-CG2 3.34Å; V147-K149 PolarHBondContact O-N 3.3Å; V147-I164 WeakPolarHBondContact O-CA 3.44Å; V147-I164 WeakPolarHBondContact O-CG2 3.48Å; V147-E165 PolarHBondContact N-O 3.24Å; V147-E165 PolarHBondContact O-N 3.16Å; V147-V167 HydrophobicContact CG2-CG1 3.95Å |
| 148 | M | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 123.8 | 177.6 | -60.4 | -63.7 | -66.1 | 0 | 0 | 109.7 | Q95 A126 A127 D129 T130 V132 M150 I155 I164 | Q95-M148 HydrophobicContact CG-SD 4.15Å; A126-M148 HydrophobicContact CB-CE 4.01Å; A126-M148 HydrophobicContact CB-CG 3.91Å; A126-M148 HydrophobicContact CB-SD 4.1Å; A127-M148 WeakPolarHBondContact O-CB 3.42Å; A127-M148 WeakPolarHBondContact O-CG 3.39Å; D129-M148 WeakPolarHBondContact CA-O 3.02Å; D129-M148 PolarHBondContact N-O 3.46Å; T130-M148 WeakPolarHBondContact O-CG 3.18Å; T130-M148 PolarHBondContact O-N 3.32Å; V132-M148 HydrophobicContact CB-SD 4.47Å; V132-M148 HydrophobicContact CG1-CG 3.8Å; V132-M148 HydrophobicContact CG1-SD 3.8Å; V132-M148 HydrophobicContact CG2-CG 4.28Å; V132-M148 HydrophobicContact CG2-SD 3.87Å; M148-M150 VanDerWaalsContact CE-O 3.28Å; M148-M150 WeakPolarHBondContact CE-O 3.13Å; M148-I155 HydrophobicContact CE-CD1 3.53Å; M148-I164 HydrophobicContact CE-CG1 4.35Å; M148-I164 HydrophobicContact SD-CD1 3.74Å; M148-I164 HydrophobicContact SD-CG1 3.66Å |
| 149 | K | 98.3 | Very high | 97.1 | Very high | 92 Ų | 92 | 57.3 Ų | 57.3 | 40% | 0.4 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -97 | -16.2 | 171.7 | -66 | -56.7 | -178.3 | -172.8 | 0 | 113 | V147 I162 G163 E165 | V147-K149 PolarHBondContact O-N 3.3Å; K149-I162 HydrophobicContact CB-CG2 4.46Å; K149-I162 HydrophobicContact CG-CG2 4.25Å; K149-G163 PolarHBondContact N-O 3.39Å; K149-E165 HydrophobicContact CD-CB 4.33Å; K149-E165 WeakPolarHBondContact CE-OE2 3.49Å; K149-E165 HydrophobicContact CG-CB 3.98Å; K149-E165 IonicContact NZ-OE2 3.16Å; K149-E165 PolarHBondContact NZ-OE2 2.96Å |
| 150 | M | 97.3 | Very high | 97.3 | Very high | 42 Ų | 42 | 59.3 Ų | 59.3 | 21% | 0.207 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -134.4 | 149.1 | 171.5 | -64.9 | 178 | 67.4 | 0 | 0 | 107.6 | M148 N154 I155 V158 G163 | M148-M150 VanDerWaalsContact CE-O 3.28Å; M148-M150 WeakPolarHBondContact CE-O 3.13Å; M150-N154 HydrophobicContact CB-CB 4.39Å; M150-N154 HydrophobicContact CE-CB 3.9Å; M150-I155 HydrophobicContact CB-CD1 4.3Å; M150-I155 HydrophobicContact CB-CG1 3.68Å; M150-V158 HydrophobicContact CE-CB 4Å; M150-V158 HydrophobicContact CE-CG1 4.28Å; M150-V158 HydrophobicContact CE-CG2 4.12Å; M150-G163 PolarHBondContact N-O 3.13Å |
| 151 | S | 98.3 | Very high | 97.4 | Very high | 26 Ų | 26 | 52.6 Ų | 52.6 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | trans | -61.6 | 152.3 | 169.4 | 61.8 | 0 | 0 | 0 | 0 | 110.1 | A126 E153 N154 I155 | A126-S151 WeakPolarHBondContact O-CA 3.07Å; S151-E153 PolarHBondContact O-N 3.14Å; S151-N154 PolarHBondContact O-N 3.24Å; S151-N154 WeakPolarHBondContact OG-CB 3.4Å; S151-N154 PolarHBondContact OG-N 3.31Å; S151-N154 PolarHBondContact OG-ND2 3.15Å; S151-I155 WeakPolarHBondContact O-CG1 3.33Å; S151-I155 PolarHBondContact O-N 3.32Å | ||
| 152 | A | 97.9 | Very high | 97.5 | Very high | 8 Ų | 8 | 51.4 Ų | 51.4 | 7% | 0.066 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -52.5 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L123 Y124 A126 N154 I155 E156 | L123-A152 HydrophobicContact CD1-CB 4.13Å; L123-A152 HydrophobicContact CD2-CB 4.2Å; L123-A152 VanDerWaalsContact CD2-O 3.23Å; L123-A152 WeakPolarHBondContact CD2-O 3.47Å; L123-A152 HydrophobicContact CG-CB 3.97Å; Y124-A152 WeakPolarHBondContact O-CB 3.38Å; A126-A152 PolarHBondContact O-N 2.74Å; A152-N154 VanDerWaalsContact C-N 3.35Å; A152-N154 PolarHBondContact O-N 3.31Å; A152-I155 WeakPolarHBondContact O-CB 3.49Å; A152-I155 PolarHBondContact O-N 3.33Å; A152-E156 PolarHBondContact O-N 2.99Å |
| 153 | E | 97.7 | Very high | 97.5 | Very high | 110 Ų | 110 | 51.2 Ų | 51.2 | 51% | 0.514 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.5 | -43.7 | 175.7 | -174.7 | -174.7 | 176.3 | 0 | 0 | 112.7 | S151 E156 K157 | S151-E153 PolarHBondContact O-N 3.14Å; E153-E156 PolarHBondContact O-N 3.45Å; E153-K157 HydrophobicContact CG-CD 4.07Å; E153-K157 WeakPolarHBondContact O-CB 3.38Å; E153-K157 WeakPolarHBondContact O-CG 3.06Å; E153-K157 PolarHBondContact O-N 2.95Å; E153-K157 WeakPolarHBondContact OE1-CE 3.46Å; E153-K157 IonicContact OE1-NZ 3.66Å; E153-K157 PolarHBondContact OE1-NZ 3.5Å |
| 154 | N | 97.5 | Very high | 97.6 | Very high | 73 Ų | 73 | 50.7 Ų | 50.7 | 39% | 0.39 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -72 | -33.2 | 178.5 | -75.3 | -18.8 | 0 | 0 | 0 | 112.1 | M150 S151 A152 E156 V158 | M150-N154 HydrophobicContact CB-CB 4.39Å; M150-N154 HydrophobicContact CE-CB 3.9Å; S151-N154 PolarHBondContact O-N 3.24Å; S151-N154 WeakPolarHBondContact OG-CB 3.4Å; S151-N154 PolarHBondContact OG-N 3.31Å; S151-N154 PolarHBondContact OG-ND2 3.15Å; A152-N154 VanDerWaalsContact C-N 3.35Å; A152-N154 PolarHBondContact O-N 3.31Å; N154-E156 VanDerWaalsContact C-N 3.33Å; N154-V158 WeakPolarHBondContact O-CB 3.31Å; N154-V158 WeakPolarHBondContact O-CG2 3.44Å; N154-V158 PolarHBondContact O-N 2.98Å |
| 155 | I | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 174.1 | -70.6 | 172.5 | 0 | 0 | 0 | 109.9 | C113 L116 T117 L123 M148 M150 S151 A152 N159 | C113-I155 HydrophobicContact CB-CG2 3.93Å; L116-I155 HydrophobicContact CB-CG2 3.95Å; L116-I155 HydrophobicContact CD1-CD1 3.92Å; L116-I155 HydrophobicContact CD1-CG2 4.01Å; T117-I155 HydrophobicContact CG2-CG2 4.32Å; L123-I155 HydrophobicContact CD1-CD1 4.35Å; L123-I155 HydrophobicContact CD1-CG2 4.22Å; L123-I155 HydrophobicContact CD2-CB 4.02Å; L123-I155 HydrophobicContact CD2-CG2 3.79Å; M148-I155 HydrophobicContact CE-CD1 3.53Å; M150-I155 HydrophobicContact CB-CD1 4.3Å; M150-I155 HydrophobicContact CB-CG1 3.68Å; S151-I155 WeakPolarHBondContact O-CG1 3.33Å; S151-I155 PolarHBondContact O-N 3.32Å; A152-I155 WeakPolarHBondContact O-CB 3.49Å; A152-I155 PolarHBondContact O-N 3.33Å; I155-N159 VanDerWaalsContact O-CA 3.29Å; I155-N159 WeakPolarHBondContact O-CA 3.38Å; I155-N159 PolarHBondContact O-N 3Å |
| 156 | E | 96.6 | Very high | 97.6 | Very high | 138 Ų | 138 | 54.6 Ų | 54.6 | 65% | 0.645 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -65.3 | -46.8 | 179.5 | -171.2 | 174.9 | -165.3 | 0 | 0 | 112 | L123 A152 E153 N154 | L123-E156 HydrophobicContact CD2-CB 4.08Å; A152-E156 PolarHBondContact O-N 2.99Å; E153-E156 PolarHBondContact O-N 3.45Å; N154-E156 VanDerWaalsContact C-N 3.33Å |
| 157 | K | 96.8 | Very high | 97.6 | Very high | 146 Ų | 146 | 54.9 Ų | 54.9 | 64% | 0.635 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -71.3 | -44.4 | -177.2 | -71.9 | 176.5 | 178.4 | 179.2 | 0 | 113.9 | E153 | E153-K157 HydrophobicContact CG-CD 4.07Å; E153-K157 WeakPolarHBondContact O-CB 3.38Å; E153-K157 WeakPolarHBondContact O-CG 3.06Å; E153-K157 PolarHBondContact O-N 2.95Å; E153-K157 WeakPolarHBondContact OE1-CE 3.46Å; E153-K157 IonicContact OE1-NZ 3.66Å; E153-K157 PolarHBondContact OE1-NZ 3.5Å |
| 158 | V | 96.7 | Very high | 97.6 | Very high | 85 Ų | 85 | 54.7 Ų | 54.7 | 52% | 0.515 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -86.8 | -35.8 | -173.4 | -180 | 0 | 0 | 0 | 0 | 111.3 | M150 N154 K160 | M150-V158 HydrophobicContact CE-CB 4Å; M150-V158 HydrophobicContact CE-CG1 4.28Å; M150-V158 HydrophobicContact CE-CG2 4.12Å; N154-V158 WeakPolarHBondContact O-CB 3.31Å; N154-V158 WeakPolarHBondContact O-CG2 3.44Å; N154-V158 PolarHBondContact O-N 2.98Å; V158-K160 HydrophobicContact CG1-CB 4.19Å; V158-K160 PolarHBondContact O-N 3.14Å |
| 159 | N | 95.9 | Very high | 97.6 | Very high | 69 Ų | 69 | 55.4 Ų | 55.4 | 37% | 0.369 | 28% | 0.278 | S | S | . | . | trans | 49 | 33.2 | 179.4 | -161 | 23.2 | 0 | 0 | 0 | 115.2 | P114 T117 I155 | P114-N159 VanDerWaalsContact CA-OD1 3.25Å; P114-N159 WeakPolarHBondContact CA-OD1 3.43Å; P114-N159 WeakPolarHBondContact CG-O 3.39Å; T117-N159 PolarHBondContact OG1-OD1 2.9Å; I155-N159 VanDerWaalsContact O-CA 3.29Å; I155-N159 WeakPolarHBondContact O-CA 3.38Å; I155-N159 PolarHBondContact O-N 3Å | ||
| 160 | K | 97.1 | Very high | 97.5 | Very high | 164 Ų | 164 | 52.8 Ų | 52.8 | 71% | 0.713 | 27% | 0.268 | S | S | * | . | trans | -147 | 146.7 | -178.7 | -172.7 | 178.5 | 178.6 | -179 | 0 | 110.8 | C113 V158 | C113-K160 PolarHBondContact SG-O 3.49Å; C113-K160 VanDerWaalsContact SG-O 3.37Å; V158-K160 HydrophobicContact CG1-CB 4.19Å; V158-K160 PolarHBondContact O-N 3.14Å | ||
| 161 | G | 96.8 | Very high | 97.4 | Very high | 32 Ų | 32 | 55 Ų | 55 | 33% | 0.33 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 89.8 | -170.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | M112 C113 G163 | M112-G161 WeakPolarHBondContact CA-O 3.43Å; M112-G161 WeakPolarHBondContact CE-O 3.32Å; C113-G161 PolarHBondContact N-O 3.11Å; C113-G161 PolarHBondContact SG-O 3.33Å; C113-G161 VanDerWaalsContact SG-O 3.41Å; G161-G163 PolarHBondContact O-N 3Å |
| 162 | I | 98.2 | Very high | 97.4 | Very high | 73 Ų | 73 | 53.9 Ų | 53.9 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 114.1 | 178.4 | -62.8 | 166.9 | 0 | 0 | 0 | 108 | N110 M112 K149 | N110-I162 HydrophobicContact CB-CG1 4.45Å; N110-I162 HydrophobicContact CB-CG2 3.94Å; M112-I162 HydrophobicContact CE-CG1 4.23Å; M112-I162 HydrophobicContact SD-CG1 3.81Å; K149-I162 HydrophobicContact CB-CG2 4.46Å; K149-I162 HydrophobicContact CG-CG2 4.25Å |
| 163 | G | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -41.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I111 K149 M150 G161 | I111-G163 PolarHBondContact O-N 3.07Å; K149-G163 PolarHBondContact N-O 3.39Å; M150-G163 PolarHBondContact N-O 3.13Å; G161-G163 PolarHBondContact O-N 3Å |
| 164 | I | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 129.7 | -177 | -46 | 173.1 | 0 | 0 | 0 | 109.9 | Q95 I111 L116 V132 I134 V147 M148 | Q95-I164 HydrophobicContact CB-CD1 3.97Å; Q95-I164 HydrophobicContact CG-CD1 3.81Å; I111-I164 HydrophobicContact CB-CB 4.08Å; I111-I164 HydrophobicContact CD1-CB 4.14Å; I111-I164 HydrophobicContact CD1-CG2 4.36Å; I111-I164 PolarHBondContact N-O 3.45Å; I111-I164 PolarHBondContact O-N 3.32Å; I111-I164 VanDerWaalsContact O-N 3.08Å; L116-I164 HydrophobicContact CD1-CD1 3.64Å; L116-I164 HydrophobicContact CD1-CG1 3.83Å; L116-I164 HydrophobicContact CD2-CD1 4.03Å; L116-I164 HydrophobicContact CG-CD1 4.48Å; V132-I164 HydrophobicContact CG2-CD1 4.25Å; V132-I164 HydrophobicContact CG2-CG2 3.85Å; I134-I164 HydrophobicContact CD1-CD1 3.59Å; I134-I164 HydrophobicContact CD1-CG2 4.17Å; V147-I164 WeakPolarHBondContact O-CA 3.44Å; V147-I164 WeakPolarHBondContact O-CG2 3.48Å; M148-I164 HydrophobicContact CE-CG1 4.35Å; M148-I164 HydrophobicContact SD-CD1 3.74Å; M148-I164 HydrophobicContact SD-CG1 3.66Å |
| 165 | E | 98.3 | Very high | 97.3 | Very high | 73 Ų | 73 | 47.3 Ų | 47.3 | 34% | 0.341 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 134.9 | 172.1 | 179.1 | 174.9 | -143.4 | 0 | 0 | 110.7 | N110 G146 V147 K149 | N110-E165 WeakPolarHBondContact OD1-CA 3.13Å; G146-E165 CarbonylContact C-O 3.49Å; G146-E165 WeakPolarHBondContact CA-O 3.48Å; V147-E165 PolarHBondContact N-O 3.24Å; V147-E165 PolarHBondContact O-N 3.16Å; K149-E165 HydrophobicContact CD-CB 4.33Å; K149-E165 WeakPolarHBondContact CE-OE2 3.49Å; K149-E165 HydrophobicContact CG-CB 3.98Å; K149-E165 IonicContact NZ-OE2 3.16Å; K149-E165 PolarHBondContact NZ-OE2 2.96Å |
| 166 | N | 98.1 | Very high | 97.3 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 115.4 | 178 | -176.3 | -28.1 | 0 | 0 | 0 | 110.5 | V105 A109 N110 C144 H168 | V105-N166 PolarHBondContact O-ND2 3.32Å; V105-N166 VanDerWaalsContact O-ND2 3.14Å; A109-N166 VanDerWaalsContact O-CB 3.29Å; A109-N166 WeakPolarHBondContact O-CB 3.29Å; A109-N166 PolarHBondContact O-ND2 3.47Å; A109-N166 VanDerWaalsContact O-ND2 3.11Å; N110-N166 PolarHBondContact OD1-N 3.23Å; C144-N166 VanDerWaalsContact SG-CG 3.55Å; N166-H168 PolarHBondContact OD1-N 2.93Å |
| 167 | V | 97.6 | Very high | 97.3 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -38.7 | -179.6 | -63.4 | 0 | 0 | 0 | 0 | 112.4 | M1 F71 Y79 V145 V147 | M1-V167 WeakPolarHBondContact CA-O 3.44Å; M1-V167 WeakPolarHBondContact CB-O 3.41Å; M1-V167 PolarHBondContact N-O 2.72Å; F71-V167 HydrophobicContact CE2-CG2 4.48Å; F71-V167 HydrophobicContact CZ-CB 4.46Å; F71-V167 HydrophobicContact CZ-CG2 4.05Å; Y79-V167 HydrophobicContact CD1-CG2 4.12Å; Y79-V167 HydrophobicContact CE1-CG2 4.48Å; Y79-V167 HydrophobicContact CG-CG2 4.29Å; V145-V167 HydrophobicContact CB-CG2 4.05Å; V145-V167 HydrophobicContact CG1-CG2 3.91Å; V145-V167 WeakPolarHBondContact O-CG2 3.29Å; V145-V167 PolarHBondContact O-N 3.33Å; V147-V167 HydrophobicContact CG2-CG1 3.95Å |
| 168 | H | 98.2 | Very high | 97 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 136.5 | -178.5 | 170 | 43.9 | 0 | 0 | 0 | 109.8 | F2 F71 L82 C144 V145 N166 D172 | F2-H168 HydrophobicContact CD2-CB 4.23Å; F71-H168 HydrophobicContact CE1-CB 3.81Å; F71-H168 HydrophobicContact CZ-CB 3.58Å; L82-H168 PolarHBondContact N-CD2 3.44Å; L82-H168 PolarHBondContact N-NE2 2.88Å; C144-H168 CarbonylContact C-O 3.58Å; C144-H168 WeakPolarHBondContact CA-O 3.33Å; C144-H168 WeakPolarHBondContact CB-O 3.21Å; V145-H168 HydrophobicContact CB-CB 4.49Å; V145-H168 PolarHBondContact N-O 3.01Å; V145-H168 PolarHBondContact O-N 3.32Å; N166-H168 PolarHBondContact OD1-N 2.93Å; H168-D172 WeakPolarHBondContact CA-OD2 3.42Å; H168-D172 IonicContact CE1-OD1 3.65Å; H168-D172 PolarHBondContact CE1-OD1 3.14Å; H168-D172 IonicContact CE1-OD2 3.53Å; H168-D172 IonicContact CG-OD2 3.14Å; H168-D172 IonicContact ND1-OD1 2.6Å; H168-D172 PolarHBondContact ND1-OD1 3.45Å; H168-D172 IonicContact ND1-OD2 2.71Å; H168-D172 PolarHBondContact ND1-OD2 2.91Å |
| 169 | Y | 98.2 | Very high | 96.9 | Very high | 16 Ų | 16 | 46.1 Ų | 46.1 | 6% | 0.063 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 161.1 | -178 | 66.2 | -88.7 | 0 | 0 | 0 | 112.9 | K3 L106 L143 N171 D172 | K3-Y169 HydrophobicContact CB-CE1 4.22Å; K3-Y169 WeakPolarHBondContact CG-OH 3.48Å; L106-Y169 VanDerWaalsContact O-CD2 3.31Å; L106-Y169 WeakPolarHBondContact O-CD2 3.26Å; L106-Y169 WeakPolarHBondContact O-CE2 3.36Å; L143-Y169 WeakPolarHBondContact O-CA 3.38Å; Y169-N171 PolarHBondContact O-N 2.93Å; Y169-D172 HydrophobicContact CD1-CB 3.91Å; Y169-D172 HydrophobicContact CD2-CB 3.99Å; Y169-D172 HydrophobicContact CE1-CB 3.61Å; Y169-D172 HydrophobicContact CE2-CB 3.68Å; Y169-D172 HydrophobicContact CG-CB 4.08Å; Y169-D172 VanDerWaalsContact CZ-CB 3.49Å; Y169-D172 PolarHBondContact N-OD2 3.34Å; Y169-D172 WeakPolarHBondContact O-CB 3.22Å; Y169-D172 PolarHBondContact O-N 2.97Å; Y169-D172 VanDerWaalsContact O-N 3.14Å |
| 170 | L | 96.3 | Very high | 96.7 | Very high | 37 Ų | 37 | 45.5 Ų | 45.5 | 19% | 0.194 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 132.6 | -178.2 | -156.5 | 165.8 | 0 | 0 | 0 | 110.1 | L82 L106 L143 D172 W175 | L82-L170 HydrophobicContact CD1-CB 4.08Å; L106-L170 HydrophobicContact CD2-CB 3.76Å; L143-L170 PolarHBondContact O-N 3.08Å; L170-D172 VanDerWaalsContact C-N 3.31Å; L170-W175 HydrophobicContact CD1-CH2 4.43Å; L170-W175 HydrophobicContact CD1-CZ2 4.41Å; L170-W175 HydrophobicContact CD2-CD2 4.29Å; L170-W175 HydrophobicContact CD2-CZ2 3.93Å; L170-W175 HydrophobicContact CG-CD2 4.08Å; L170-W175 HydrophobicContact CG-CE3 4.31Å; L170-W175 HydrophobicContact CG-CH2 4.15Å; L170-W175 HydrophobicContact CG-CZ2 3.9Å; L170-W175 HydrophobicContact CG-CZ3 4.35Å |
| 171 | N | 95.8 | Very high | 95.9 | Very high | 89 Ų | 89 | 48.5 Ų | 48.5 | 48% | 0.476 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | 18.2 | -172.6 | -55.3 | -38.3 | 0 | 0 | 0 | 115.3 | Y169 W175 H176 | Y169-N171 PolarHBondContact O-N 2.93Å; N171-W175 VanDerWaalsContact N-CG 3.27Å; N171-W175 PolarHBondContact OD1-NE1 2.87Å; N171-H176 PolarHBondContact O-CE1 2.85Å |
| 172 | D | 97.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.011 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -77 | 178.5 | 161.3 | 76.7 | 11.7 | 0 | 0 | 0 | 112 | F2 H168 Y169 L170 L174 W175 H176 | F2-D172 HydrophobicContact CB-CB 4.27Å; H168-D172 WeakPolarHBondContact CA-OD2 3.42Å; H168-D172 IonicContact CE1-OD1 3.65Å; H168-D172 PolarHBondContact CE1-OD1 3.14Å; H168-D172 IonicContact CE1-OD2 3.53Å; H168-D172 IonicContact CG-OD2 3.14Å; H168-D172 IonicContact ND1-OD1 2.6Å; H168-D172 PolarHBondContact ND1-OD1 3.45Å; H168-D172 IonicContact ND1-OD2 2.71Å; H168-D172 PolarHBondContact ND1-OD2 2.91Å; Y169-D172 HydrophobicContact CD1-CB 3.91Å; Y169-D172 HydrophobicContact CD2-CB 3.99Å; Y169-D172 HydrophobicContact CE1-CB 3.61Å; Y169-D172 HydrophobicContact CE2-CB 3.68Å; Y169-D172 HydrophobicContact CG-CB 4.08Å; Y169-D172 VanDerWaalsContact CZ-CB 3.49Å; Y169-D172 PolarHBondContact N-OD2 3.34Å; Y169-D172 WeakPolarHBondContact O-CB 3.22Å; Y169-D172 PolarHBondContact O-N 2.97Å; Y169-D172 VanDerWaalsContact O-N 3.14Å; L170-D172 VanDerWaalsContact C-N 3.31Å; D172-L174 VanDerWaalsContact C-N 3.3Å; D172-L174 PolarHBondContact O-N 3.38Å; D172-L174 PolarHBondContact OD1-N 2.98Å; D172-W175 WeakPolarHBondContact O-CB 3.48Å; D172-W175 PolarHBondContact O-N 3.02Å; D172-W175 VanDerWaalsContact O-N 3.15Å; D172-W175 PolarHBondContact OD1-N 3.47Å; D172-H176 PolarHBondContact O-N 3.41Å; D172-H176 VanDerWaalsContact O-N 3.08Å; D172-H176 PolarHBondContact O-ND1 3.03Å |
| 173 | G | 97.3 | Very high | 95.8 | Very high | 10 Ų | 10 | 48.1 Ų | 48.1 | 10% | 0.103 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.2 | -38.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | F2 F5 H176 M177 | F2-G173 PolarHBondContact O-N 2.8Å; F5-G173 WeakPolarHBondContact O-CA 3.43Å; G173-H176 PolarHBondContact O-N 3.37Å; G173-M177 PolarHBondContact O-N 3.31Å |
| 174 | L | 97.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.6 | -35.4 | 178.2 | -178.3 | 63.9 | 0 | 0 | 0 | 111.3 | F2 I61 L68 F71 T81 D172 H176 M177 | F2-L174 HydrophobicContact CB-CB 3.95Å; F2-L174 HydrophobicContact CD1-CB 3.72Å; F2-L174 HydrophobicContact CD1-CD2 4.47Å; F2-L174 HydrophobicContact CD2-CB 3.93Å; F2-L174 HydrophobicContact CD2-CD2 3.96Å; F2-L174 HydrophobicContact CE1-CB 4.14Å; F2-L174 HydrophobicContact CE1-CD1 4.4Å; F2-L174 HydrophobicContact CE1-CD2 4.14Å; F2-L174 HydrophobicContact CE1-CG 4.47Å; F2-L174 HydrophobicContact CE2-CB 4.38Å; F2-L174 HydrophobicContact CE2-CD2 3.63Å; F2-L174 HydrophobicContact CG-CB 3.6Å; F2-L174 HydrophobicContact CG-CD2 4.38Å; F2-L174 HydrophobicContact CZ-CB 4.48Å; F2-L174 HydrophobicContact CZ-CD2 3.74Å; I61-L174 HydrophobicContact CD1-CD1 3.6Å; I61-L174 HydrophobicContact CG1-CD1 4.31Å; L68-L174 HydrophobicContact CD1-CD1 3.57Å; F71-L174 HydrophobicContact CD1-CD2 3.72Å; F71-L174 HydrophobicContact CE1-CD2 4.13Å; F71-L174 HydrophobicContact CG-CD2 4.25Å; T81-L174 HydrophobicContact CG2-CD2 4.18Å; D172-L174 VanDerWaalsContact C-N 3.3Å; D172-L174 PolarHBondContact O-N 3.38Å; D172-L174 PolarHBondContact OD1-N 2.98Å; L174-H176 VanDerWaalsContact C-N 3.32Å; L174-H176 PolarHBondContact O-N 2.9Å; L174-M177 HydrophobicContact CD1-SD 4.26Å; L174-M177 CarbonylContact O-C 3.44Å; L174-M177 PolarHBondContact O-N 3.03Å |
| 175 | W | 97.4 | Very high | 95.5 | Very high | 39 Ų | 39 | 53.7 Ų | 53.7 | 15% | 0.148 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 174 | 178.4 | -94.4 | 0 | 0 | 0 | 112.4 | L82 R83 H86 L170 N171 D172 | L82-W175 HydrophobicContact CB-CE3 3.94Å; L82-W175 HydrophobicContact CB-CZ3 3.81Å; L82-W175 HydrophobicContact CD1-CE3 4.43Å; R83-W175 HydrophobicContact CG-CE3 4.04Å; R83-W175 HydrophobicContact CG-CH2 4.26Å; R83-W175 HydrophobicContact CG-CZ3 3.64Å; R83-W175 PolarHBondContact NH2-O 2.84Å; H86-W175 AromaticContact CE1-CH2 3.96Å; H86-W175 AromaticContact CE1-CZ3 3.97Å; L170-W175 HydrophobicContact CD1-CH2 4.43Å; L170-W175 HydrophobicContact CD1-CZ2 4.41Å; L170-W175 HydrophobicContact CD2-CD2 4.29Å; L170-W175 HydrophobicContact CD2-CZ2 3.93Å; L170-W175 HydrophobicContact CG-CD2 4.08Å; L170-W175 HydrophobicContact CG-CE3 4.31Å; L170-W175 HydrophobicContact CG-CH2 4.15Å; L170-W175 HydrophobicContact CG-CZ2 3.9Å; L170-W175 HydrophobicContact CG-CZ3 4.35Å; N171-W175 VanDerWaalsContact N-CG 3.27Å; N171-W175 PolarHBondContact OD1-NE1 2.87Å; D172-W175 WeakPolarHBondContact O-CB 3.48Å; D172-W175 PolarHBondContact O-N 3.02Å; D172-W175 VanDerWaalsContact O-N 3.15Å; D172-W175 PolarHBondContact OD1-N 3.47Å |
| 176 | H | 97.3 | Very high | 95.3 | Very high | 121 Ų | 121 | 52.5 Ų | 52.5 | 56% | 0.56 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -70.6 | -33 | 176.2 | -65.6 | 142.7 | 0 | 0 | 0 | 112.8 | N171 D172 G173 L174 K178 | N171-H176 PolarHBondContact O-CE1 2.85Å; D172-H176 PolarHBondContact O-N 3.41Å; D172-H176 VanDerWaalsContact O-N 3.08Å; D172-H176 PolarHBondContact O-ND1 3.03Å; G173-H176 PolarHBondContact O-N 3.37Å; L174-H176 VanDerWaalsContact C-N 3.32Å; L174-H176 PolarHBondContact O-N 2.9Å; H176-K178 PolarHBondContact O-N 2.86Å |
| 177 | M | 95.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | trans | -67.4 | 75.5 | 167.8 | -171.1 | -170.6 | -180 | 0 | 0 | 109.8 | F5 E7 V11 V53 I61 L68 G173 L174 T179 Y180 | F5-M177 HydrophobicContact CE1-CB 4.35Å; F5-M177 HydrophobicContact CE1-SD 3.83Å; F5-M177 HydrophobicContact CZ-SD 3.98Å; E7-M177 HydrophobicContact CB-CB 4.22Å; E7-M177 HydrophobicContact CB-CG 3.9Å; E7-M177 HydrophobicContact CB-SD 4.28Å; E7-M177 WeakPolarHBondContact OE2-CG 3.4Å; V11-M177 HydrophobicContact CG2-CE 4.22Å; V53-M177 HydrophobicContact CG1-CE 4.39Å; I61-M177 HydrophobicContact CD1-SD 4Å; L68-M177 HydrophobicContact CD1-CB 4.23Å; L68-M177 HydrophobicContact CD1-CE 4.37Å; L68-M177 HydrophobicContact CD1-CG 3.87Å; L68-M177 WeakPolarHBondContact CD1-O 3.25Å; L68-M177 HydrophobicContact CD1-SD 3.82Å; L68-M177 HydrophobicContact CD2-CE 4.41Å; G173-M177 PolarHBondContact O-N 3.31Å; L174-M177 HydrophobicContact CD1-SD 4.26Å; L174-M177 CarbonylContact O-C 3.44Å; L174-M177 PolarHBondContact O-N 3.03Å; M177-T179 PolarHBondContact O-N 3.06Å; M177-Y180 HydrophobicContact CE-CD2 3.53Å; M177-Y180 HydrophobicContact CE-CE2 4.4Å; M177-Y180 HydrophobicContact CE-CG 4.22Å | ||
| 178 | K | 90.6 | Very high | 94.9 | Very high | 139 Ų | 139 | 58.9 Ų | 58.9 | 60% | 0.604 | 28% | 0.279 | S | S | * | . | trans | -66.4 | -37.4 | -170.2 | -172.3 | -179.3 | 175.9 | -178.5 | 0 | 112.7 | H176 | H176-K178 PolarHBondContact O-N 2.86Š| ||
| 179 | T | 93.9 | Very high | 94.7 | Very high | 80 Ų | 80 | 63.3 Ų | 63.3 | 49% | 0.491 | 30% | 0.299 | S | S | . | . | trans | -150 | 149.8 | -175.6 | 52.8 | 0 | 0 | 0 | 0 | 110.7 | G66 M177 | G66-T179 CarbonylContact O-C 3.54Å; G66-T179 WeakPolarHBondContact O-CA 3.16Å; G66-T179 WeakPolarHBondContact O-CB 3.47Å; M177-T179 PolarHBondContact O-N 3.06Å | ||
| 180 | Y | 92.8 | Very high | 94.4 | Very high | 56 Ų | 56 | 67.3 Ų | 67.3 | 22% | 0.22 | 32% | 0.319 | C | S | . | . | trans | -109 | 139.5 | 170.1 | -170.4 | -100.6 | 0 | 0 | 0 | 111 | V11 C14 V53 T63 G66 M177 | V11-Y180 HydrophobicContact CG1-CE2 4.16Å; C14-Y180 HydrophobicContact CB-CE1 3.52Å; C14-Y180 WeakPolarHBondContact CB-OH 3.35Å; C14-Y180 WeakPolarHBondContact SG-CE1 3.37Å; V53-Y180 HydrophobicContact CG1-CD2 4.21Å; V53-Y180 HydrophobicContact CG1-CE2 3.93Å; V53-Y180 HydrophobicContact CG2-CD1 3.61Å; V53-Y180 HydrophobicContact CG2-CD2 3.84Å; V53-Y180 HydrophobicContact CG2-CE1 3.86Å; V53-Y180 HydrophobicContact CG2-CE2 4.05Å; V53-Y180 HydrophobicContact CG2-CG 3.6Å; T63-Y180 HydrophobicContact CG2-CD1 4.3Å; G66-Y180 WeakPolarHBondContact CA-O 3.5Å; G66-Y180 PolarHBondContact O-N 2.77Å; M177-Y180 HydrophobicContact CE-CD2 3.53Å; M177-Y180 HydrophobicContact CE-CE2 4.4Å; M177-Y180 HydrophobicContact CE-CG 4.22Å | ||
| 181 | K | 80.5 | Confident | 94.2 | Very high | 227 Ų | 227 | 70 Ų | 70 | 99% | 0.987 | 33% | 0.33 | S | S | * | . | trans | -87.8 | 0 | 177.9 | -66.7 | -174.2 | 179.3 | -179.5 | 0 | 111 | K51 | K51-K181 PolarHBondContact NZ-OXT 3.01Š|
Retrieved 181 of 181 residues in 109.9 ms
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