| 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 | 60.7 | Low | 73.4 | Confident | 131 Ų | 131 | 106.3 Ų | 106.3 | 65% | 0.645 | 49% | 0.494 | S | S | * | . | 0 | 126.6 | 0 | 175.4 | 176.8 | 179.7 | 0 | 0 | 106.7 | I43 Y51 | M1-I43 HydrophobicContact CE-CG2 3.92Å; M1-I43 HydrophobicContact SD-CG2 4.34Å; M1-Y51 HydrophobicContact CB-CE2 4.03Å | |||
| 2 | F | 65.8 | Low | 74.3 | Confident | 216 Ų | 216 | 112.2 Ų | 112.2 | 95% | 0.947 | 52% | 0.517 | S | S | * | . | trans | -102.4 | 127.5 | 175.8 | -65.1 | -81.2 | 0 | 0 | 0 | 108.2 | ||||
| 3 | K | 70.6 | Confident | 75.2 | Confident | 95 Ų | 95 | 110.5 Ų | 110.5 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | trans | -125.9 | 123.4 | 174.5 | -173.1 | -179.7 | 179.5 | -169.6 | 0 | 107.6 | I43 | K3-I43 HydrophobicContact CD-CD1 4.24Š| ||
| 4 | D | 76.6 | Confident | 75.9 | Confident | 50 Ų | 50 | 103.1 Ų | 103.1 | 27% | 0.267 | 48% | 0.477 | S | S | . | . | trans | -98.8 | 135 | -179.4 | -162.9 | -35.5 | 0 | 0 | 0 | 110.2 | R6 D7 | D4-R6 PolarHBondContact O-N 3.47Å; D4-R6 VanDerWaalsContact OD1-CB 3.28Å; D4-R6 WeakPolarHBondContact OD1-CB 3.16Å; D4-R6 VanDerWaalsContact OD1-CG 3.27Å; D4-R6 WeakPolarHBondContact OD1-CG 3.32Å; D4-R6 PolarHBondContact OD1-N 3.33Å; D4-R6 IonicContact OD1-NE 3.1Å; D4-R6 PolarHBondContact OD1-NE 2.94Å; D4-R6 IonicContact OD2-CZ 3.73Å; D4-R6 IonicContact OD2-NE 3.64Å; D4-R6 PolarHBondContact OD2-NE 3.04Å; D4-R6 IonicContact OD2-NH2 2.64Å; D4-R6 PolarHBondContact OD2-NH2 2.92Å; D4-D7 WeakPolarHBondContact O-CB 3.36Å; D4-D7 PolarHBondContact O-N 2.89Å | ||
| 5 | I | 74 | Confident | 76.7 | Confident | 74 Ų | 74 | 100.1 Ų | 100.1 | 38% | 0.379 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -62.2 | -29.2 | 173.8 | -170.8 | 167.2 | 0 | 0 | 0 | 111.9 | D7 T8 V9 F33 | I5-D7 PolarHBondContact O-N 3.03Å; I5-T8 PolarHBondContact O-N 3.49Å; I5-V9 PolarHBondContact O-N 3.06Å; I5-F33 HydrophobicContact CD1-CB 3.78Å; I5-F33 HydrophobicContact CD1-CD1 3.56Å; I5-F33 HydrophobicContact CD1-CD2 3.7Å; I5-F33 HydrophobicContact CD1-CE1 3.98Å; I5-F33 HydrophobicContact CD1-CE2 4.12Å; I5-F33 HydrophobicContact CD1-CG 3.38Å; I5-F33 HydrophobicContact CD1-CZ 4.24Å; I5-F33 HydrophobicContact CG1-CB 4.34Å; I5-F33 HydrophobicContact CG1-CD1 4.4Å; I5-F33 HydrophobicContact CG1-CD2 3.63Å; I5-F33 HydrophobicContact CG1-CE2 3.95Å; I5-F33 HydrophobicContact CG1-CG 3.88Å; I5-F33 HydrophobicContact CG1-CZ 4.45Å |
| 6 | R | 73.4 | Confident | 77.4 | Confident | 182 Ų | 182 | 105.7 Ų | 105.7 | 69% | 0.687 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -62.5 | -21.5 | 178.1 | -64.3 | 179.6 | -68 | -178 | 0.7 | 113 | D4 T8 | D4-R6 PolarHBondContact O-N 3.47Å; D4-R6 VanDerWaalsContact OD1-CB 3.28Å; D4-R6 WeakPolarHBondContact OD1-CB 3.16Å; D4-R6 VanDerWaalsContact OD1-CG 3.27Å; D4-R6 WeakPolarHBondContact OD1-CG 3.32Å; D4-R6 PolarHBondContact OD1-N 3.33Å; D4-R6 IonicContact OD1-NE 3.1Å; D4-R6 PolarHBondContact OD1-NE 2.94Å; D4-R6 IonicContact OD2-CZ 3.73Å; D4-R6 IonicContact OD2-NE 3.64Å; D4-R6 PolarHBondContact OD2-NE 3.04Å; D4-R6 IonicContact OD2-NH2 2.64Å; D4-R6 PolarHBondContact OD2-NH2 2.92Å; R6-T8 VanDerWaalsContact C-N 3.28Å |
| 7 | D | 72 | Confident | 78 | Confident | 133 Ų | 133 | 106.5 Ų | 106.5 | 71% | 0.711 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -73.7 | -24.4 | 174.7 | -61.2 | -24.3 | 0 | 0 | 0 | 111.9 | D4 I5 | D4-D7 WeakPolarHBondContact O-CB 3.36Å; D4-D7 PolarHBondContact O-N 2.89Å; I5-D7 PolarHBondContact O-N 3.03Å |
| 8 | T | 73.3 | Confident | 78.5 | Confident | 55 Ų | 55 | 106.5 Ų | 106.5 | 34% | 0.337 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -37.8 | -178.8 | -52.4 | 0 | 0 | 0 | 0 | 111.9 | I5 R6 | I5-T8 PolarHBondContact O-N 3.49Å; R6-T8 VanDerWaalsContact C-N 3.28Å |
| 9 | V | 77.9 | Confident | 78.8 | Confident | 18 Ų | 18 | 104.5 Ų | 104.5 | 11% | 0.109 | 50% | 0.498 | C | S | . | . | trans | -128.2 | 120.7 | -176.6 | -173.5 | 0 | 0 | 0 | 0 | 110.8 | I5 F11 V14 F32 F33 | I5-V9 PolarHBondContact O-N 3.06Å; V9-F11 PolarHBondContact O-N 3.43Å; V9-V14 HydrophobicContact CG1-CG2 4.1Å; V9-F32 HydrophobicContact CG2-CB 4.23Å; V9-F33 HydrophobicContact CG2-CB 4.48Å | ||
| 10 | K | 80.2 | Confident | 79.3 | Confident | 140 Ų | 140 | 104.3 Ų | 104.3 | 61% | 0.609 | 49% | 0.493 | S | S | * | . | trans | -89.8 | 95.8 | 178.9 | -71.3 | 173.9 | 179.1 | 175.4 | 0 | 110.8 | K12 E13 V14 | K10-K12 VanDerWaalsContact C-N 3.31Å; K10-K12 PolarHBondContact O-N 3.43Å; K10-E13 HydrophobicContact CB-CB 3.79Å; K10-E13 WeakPolarHBondContact CD-OE2 3.29Å; K10-E13 WeakPolarHBondContact O-CA 3.34Å; K10-E13 WeakPolarHBondContact O-CB 3.48Å; K10-E13 PolarHBondContact O-N 2.93Å; K10-V14 PolarHBondContact O-N 3.04Å; K10-V14 VanDerWaalsContact O-N 3.1Å | ||
| 11 | F | 83.3 | Confident | 79.7 | Confident | 75 Ų | 75 | 101.3 Ų | 101.3 | 33% | 0.329 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -46.8 | -47.2 | 179.1 | 174.7 | -104.5 | 0 | 0 | 0 | 114.6 | V9 E13 V14 M15 P22 A25 I26 | V9-F11 PolarHBondContact O-N 3.43Å; F11-E13 VanDerWaalsContact C-N 3.26Å; F11-E13 PolarHBondContact O-N 3.22Å; F11-V14 PolarHBondContact O-N 3.07Å; F11-M15 HydrophobicContact CD1-SD 4.09Å; F11-M15 HydrophobicContact CE1-CG 4.22Å; F11-M15 HydrophobicContact CE1-SD 3.32Å; F11-M15 WeakPolarHBondContact CE1-SD 3.45Å; F11-M15 HydrophobicContact CE2-CG 4.33Å; F11-M15 HydrophobicContact CE2-SD 4.29Å; F11-M15 HydrophobicContact CZ-CG 4.06Å; F11-M15 HydrophobicContact CZ-SD 3.45Å; F11-M15 WeakPolarHBondContact CZ-SD 3.4Å; F11-M15 PolarHBondContact O-N 3.35Å; F11-P22 WeakPolarHBondContact CE2-O 3.48Å; F11-P22 HydrophobicContact CZ-CB 4.35Å; F11-A25 HydrophobicContact CD2-CB 3.85Å; F11-A25 HydrophobicContact CE2-CB 3.37Å; F11-A25 HydrophobicContact CZ-CB 4.09Å; F11-I26 HydrophobicContact CD2-CG1 4.33Å; F11-I26 HydrophobicContact CE2-CG1 3.73Å; F11-I26 HydrophobicContact CZ-CG1 4.5Å |
| 12 | K | 84.3 | Confident | 81 | Confident | 177 Ų | 177 | 98.9 Ų | 98.9 | 77% | 0.77 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.2 | -31.1 | 179.5 | -68 | -173.9 | 178.2 | -178.3 | 0 | 113.1 | K10 K16 | K10-K12 VanDerWaalsContact C-N 3.31Å; K10-K12 PolarHBondContact O-N 3.43Å; K12-K16 PolarHBondContact O-N 3.33Å |
| 13 | E | 85.2 | Confident | 82 | Confident | 90 Ų | 90 | 95 Ų | 95 | 42% | 0.421 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -74.2 | -41.3 | 178.5 | -171.2 | 168.6 | -178.1 | 0 | 0 | 110.4 | K10 F11 M15 K16 Q17 | K10-E13 HydrophobicContact CB-CB 3.79Å; K10-E13 WeakPolarHBondContact CD-OE2 3.29Å; K10-E13 WeakPolarHBondContact O-CA 3.34Å; K10-E13 WeakPolarHBondContact O-CB 3.48Å; K10-E13 PolarHBondContact O-N 2.93Å; F11-E13 VanDerWaalsContact C-N 3.26Å; F11-E13 PolarHBondContact O-N 3.22Å; E13-M15 PolarHBondContact O-N 3.19Å; E13-K16 PolarHBondContact O-N 3.04Å; E13-Q17 HydrophobicContact CG-CG 4.27Å; E13-Q17 VanDerWaalsContact CG-NE2 3.32Å; E13-Q17 WeakPolarHBondContact O-CB 3.35Å; E13-Q17 VanDerWaalsContact O-CG 3.32Å; E13-Q17 WeakPolarHBondContact O-CG 3.41Å; E13-Q17 PolarHBondContact O-N 3.27Å; E13-Q17 PolarHBondContact OE1-NE2 3.1Å |
| 14 | V | 85 | Confident | 82.8 | Confident | 8 Ų | 8 | 91.9 Ų | 91.9 | 5% | 0.048 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 173.4 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | V9 K10 F11 K16 Q17 Y18 A25 T28 F32 | V9-V14 HydrophobicContact CG1-CG2 4.1Å; K10-V14 PolarHBondContact O-N 3.04Å; K10-V14 VanDerWaalsContact O-N 3.1Å; F11-V14 PolarHBondContact O-N 3.07Å; V14-K16 VanDerWaalsContact C-N 3.33Å; V14-K16 PolarHBondContact O-N 3.47Å; V14-Q17 PolarHBondContact O-N 2.74Å; V14-Y18 HydrophobicContact CG1-CD2 3.94Å; V14-Y18 HydrophobicContact CG1-CE2 4.49Å; V14-Y18 WeakPolarHBondContact O-CB 3.5Å; V14-Y18 WeakPolarHBondContact O-CD2 3.3Å; V14-Y18 PolarHBondContact O-N 3.09Å; V14-A25 HydrophobicContact CG1-CB 4.22Å; V14-T28 HydrophobicContact CG1-CG2 3.91Å; V14-F32 HydrophobicContact CG2-CD2 4.46Å; V14-F32 HydrophobicContact CG2-CE2 4.38Å |
| 15 | M | 88 | Confident | 83.3 | Confident | 58 Ų | 58 | 89.5 Ų | 89.5 | 29% | 0.286 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.3 | -44.2 | 175.4 | -71.6 | -176.2 | 76.6 | 0 | 0 | 112.2 | F11 E13 G19 Y20 P22 A25 | F11-M15 HydrophobicContact CD1-SD 4.09Å; F11-M15 HydrophobicContact CE1-CG 4.22Å; F11-M15 HydrophobicContact CE1-SD 3.32Å; F11-M15 WeakPolarHBondContact CE1-SD 3.45Å; F11-M15 HydrophobicContact CE2-CG 4.33Å; F11-M15 HydrophobicContact CE2-SD 4.29Å; F11-M15 HydrophobicContact CZ-CG 4.06Å; F11-M15 HydrophobicContact CZ-SD 3.45Å; F11-M15 WeakPolarHBondContact CZ-SD 3.4Å; F11-M15 PolarHBondContact O-N 3.35Å; E13-M15 PolarHBondContact O-N 3.19Å; M15-G19 WeakPolarHBondContact O-CA 3.31Å; M15-G19 PolarHBondContact O-N 2.86Å; M15-Y20 PolarHBondContact O-N 3.2Å; M15-P22 HydrophobicContact CE-CG 4.26Å; M15-A25 HydrophobicContact CB-CB 4.37Å; M15-A25 HydrophobicContact CG-CB 3.29Å; M15-A25 HydrophobicContact SD-CB 4.49Å |
| 16 | K | 88.5 | Confident | 83.9 | Confident | 189 Ų | 189 | 87.9 Ų | 87.9 | 82% | 0.822 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -71.8 | -40.2 | -177.4 | -172.8 | -179.3 | 178.2 | -175 | 0 | 112.5 | K12 E13 V14 | K12-K16 PolarHBondContact O-N 3.33Å; E13-K16 PolarHBondContact O-N 3.04Å; V14-K16 VanDerWaalsContact C-N 3.33Å; V14-K16 PolarHBondContact O-N 3.47Å |
| 17 | Q | 87.1 | Confident | 84.6 | Confident | 120 Ų | 120 | 82.6 Ų | 82.6 | 56% | 0.561 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -73.9 | -37.8 | -176 | -74.4 | 178.3 | -3.8 | 0 | 0 | 112.4 | E13 V14 | E13-Q17 HydrophobicContact CG-CG 4.27Å; E13-Q17 VanDerWaalsContact CG-NE2 3.32Å; E13-Q17 WeakPolarHBondContact O-CB 3.35Å; E13-Q17 VanDerWaalsContact O-CG 3.32Å; E13-Q17 WeakPolarHBondContact O-CG 3.41Å; E13-Q17 PolarHBondContact O-N 3.27Å; E13-Q17 PolarHBondContact OE1-NE2 3.1Å; V14-Q17 PolarHBondContact O-N 2.74Å |
| 18 | Y | 87.1 | Confident | 85.3 | Confident | 106 Ų | 106 | 77.4 Ų | 77.4 | 42% | 0.416 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -104.7 | -0.7 | -175.2 | -65.5 | -83.7 | 0 | 0 | 0 | 114.1 | V14 Y20 F32 | V14-Y18 HydrophobicContact CG1-CD2 3.94Å; V14-Y18 HydrophobicContact CG1-CE2 4.49Å; V14-Y18 WeakPolarHBondContact O-CB 3.5Å; V14-Y18 WeakPolarHBondContact O-CD2 3.3Å; V14-Y18 PolarHBondContact O-N 3.09Å; Y18-Y20 VanDerWaalsContact CB-CD2 3.45Å; Y18-Y20 HydrophobicContact CD1-CE2 4.16Å; Y18-Y20 HydrophobicContact CG-CD2 4.22Å; Y18-Y20 AromaticContact CG-CE2 3.8Å; Y18-Y20 HydrophobicContact CG-CE2 3.8Å; Y18-Y20 WeakPolarHBondContact O-CD1 3.36Å; Y18-Y20 PolarHBondContact O-N 3.3Å; Y18-Y20 VanDerWaalsContact O-N 3.15Å; Y18-F32 HydrophobicContact CE2-CE2 4.07Å; Y18-F32 HydrophobicContact CE2-CZ 4.1Å; Y18-F32 AromaticContact CZ-CZ 3.98Å; Y18-F32 WeakPolarHBondContact OH-CZ 3.46Å |
| 19 | G | 85.2 | Confident | 85.9 | Confident | 69 Ų | 69 | 75.5 Ų | 75.5 | 71% | 0.711 | 39% | 0.393 | S | S | * | . | trans | 65.9 | 13.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | M15 | M15-G19 WeakPolarHBondContact O-CA 3.31Å; M15-G19 PolarHBondContact O-N 2.86Å | ||
| 20 | Y | 87.3 | Confident | 86.3 | Confident | 100 Ų | 100 | 75.6 Ų | 75.6 | 39% | 0.392 | 39% | 0.393 | S | S | . | . | trans | -76.3 | 143.1 | -175.5 | -63.6 | -32.2 | 0 | 0 | 0 | 113.3 | M15 Y18 T28 | M15-Y20 PolarHBondContact O-N 3.2Å; Y18-Y20 VanDerWaalsContact CB-CD2 3.45Å; Y18-Y20 HydrophobicContact CD1-CE2 4.16Å; Y18-Y20 HydrophobicContact CG-CD2 4.22Å; Y18-Y20 AromaticContact CG-CE2 3.8Å; Y18-Y20 HydrophobicContact CG-CE2 3.8Å; Y18-Y20 WeakPolarHBondContact O-CD1 3.36Å; Y18-Y20 PolarHBondContact O-N 3.3Å; Y18-Y20 VanDerWaalsContact O-N 3.15Å; Y20-T28 HydrophobicContact CE2-CG2 4.2Å; Y20-T28 VanDerWaalsContact CE2-OG1 3.3Å; Y20-T28 WeakPolarHBondContact CE2-OG1 3.44Å | ||
| 21 | G | 89.1 | Confident | 86.6 | Confident | 42 Ų | 42 | 72.2 Ų | 72.2 | 43% | 0.433 | 38% | 0.382 | S | S | . | . | trans | -65.3 | 173.7 | 162 | 0 | 0 | 0 | 0 | 0 | 112.4 | N23 G24 A25 | G21-N23 PolarHBondContact O-N 3.49Å; G21-G24 PolarHBondContact O-N 3.39Å; G21-A25 PolarHBondContact O-N 3.45Å | ||
| 22 | P | 86.6 | Confident | 86.8 | Confident | 80 Ų | 80 | 72.1 Ų | 72.1 | 52% | 0.519 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -54.1 | -44.9 | -172.2 | -27.5 | 34.7 | 0 | 0 | 0 | 114.6 | F11 M15 A25 I26 | F11-P22 WeakPolarHBondContact CE2-O 3.48Å; F11-P22 HydrophobicContact CZ-CB 4.35Å; M15-P22 HydrophobicContact CE-CG 4.26Å; P22-A25 PolarHBondContact O-N 3.4Å; P22-I26 WeakPolarHBondContact O-CG1 3.44Å; P22-I26 PolarHBondContact O-N 3.49Å |
| 23 | N | 86.8 | Confident | 86.9 | Confident | 133 Ų | 133 | 65 Ų | 65 | 71% | 0.711 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -69.1 | -41.9 | -177.9 | -65.5 | -13.2 | 0 | 0 | 0 | 112.6 | G21 A25 I26 M27 | G21-N23 PolarHBondContact O-N 3.49Å; N23-A25 VanDerWaalsContact C-N 3.32Å; N23-A25 PolarHBondContact O-N 3.43Å; N23-I26 PolarHBondContact O-N 3.13Å; N23-M27 PolarHBondContact O-N 3.46Å |
| 24 | G | 87.6 | Confident | 87 | Confident | 31 Ų | 31 | 61.4 Ų | 61.4 | 32% | 0.32 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | G21 M27 T28 | G21-G24 PolarHBondContact O-N 3.39Å; G24-M27 PolarHBondContact O-N 3.3Å; G24-T28 WeakPolarHBondContact O-CB 3.32Å; G24-T28 PolarHBondContact O-N 2.97Å; G24-T28 PolarHBondContact O-OG1 3.45Å |
| 25 | A | 88 | Confident | 87.1 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.5 | -34.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F11 V14 M15 G21 P22 N23 S29 | F11-A25 HydrophobicContact CD2-CB 3.85Å; F11-A25 HydrophobicContact CE2-CB 3.37Å; F11-A25 HydrophobicContact CZ-CB 4.09Å; V14-A25 HydrophobicContact CG1-CB 4.22Å; M15-A25 HydrophobicContact CB-CB 4.37Å; M15-A25 HydrophobicContact CG-CB 3.29Å; M15-A25 HydrophobicContact SD-CB 4.49Å; G21-A25 PolarHBondContact O-N 3.45Å; P22-A25 PolarHBondContact O-N 3.4Å; N23-A25 VanDerWaalsContact C-N 3.32Å; N23-A25 PolarHBondContact O-N 3.43Å; A25-S29 WeakPolarHBondContact O-CB 3.47Å; A25-S29 PolarHBondContact O-N 3.03Å; A25-S29 PolarHBondContact O-OG 3.03Å |
| 26 | I | 86.7 | Confident | 87 | Confident | 40 Ų | 40 | 64 Ų | 64 | 21% | 0.205 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.6 | -49.5 | 173.3 | -69.2 | 165.5 | 0 | 0 | 0 | 110.1 | F11 P22 N23 T28 S29 L30 V64 | F11-I26 HydrophobicContact CD2-CG1 4.33Å; F11-I26 HydrophobicContact CE2-CG1 3.73Å; F11-I26 HydrophobicContact CZ-CG1 4.5Å; P22-I26 WeakPolarHBondContact O-CG1 3.44Å; P22-I26 PolarHBondContact O-N 3.49Å; N23-I26 PolarHBondContact O-N 3.13Å; I26-T28 PolarHBondContact O-N 2.74Å; I26-S29 WeakPolarHBondContact O-CB 3.39Å; I26-S29 PolarHBondContact O-N 3.18Å; I26-L30 PolarHBondContact O-N 3.15Å; I26-V64 HydrophobicContact CG2-CG1 4.02Å; I26-V64 HydrophobicContact CG2-CG2 4.09Å |
| 27 | M | 87.2 | Confident | 86.9 | Confident | 70 Ų | 70 | 55.1 Ų | 55.1 | 35% | 0.345 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | -178.1 | -168.2 | 61.3 | 68.5 | 0 | 0 | 111.8 | N23 G24 S29 L30 N31 V64 S68 | N23-M27 PolarHBondContact O-N 3.46Å; G24-M27 PolarHBondContact O-N 3.3Å; M27-S29 VanDerWaalsContact C-N 3.3Å; M27-S29 PolarHBondContact O-N 2.94Å; M27-L30 PolarHBondContact O-N 3.22Å; M27-N31 VanDerWaalsContact O-CG 3.29Å; M27-N31 PolarHBondContact O-N 3.45Å; M27-N31 PolarHBondContact O-OD1 3.1Å; M27-V64 HydrophobicContact CE-CG1 3.82Å; M27-V64 HydrophobicContact CE-CG2 4.48Å; M27-V64 HydrophobicContact SD-CG1 4.08Å; M27-S68 WeakPolarHBondContact SD-CB 3.19Å |
| 28 | T | 86.7 | Confident | 86.9 | Confident | 25 Ų | 25 | 54 Ų | 54 | 15% | 0.153 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.9 | -37.7 | 176.9 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | V14 Y20 G24 I26 L30 N31 F32 | V14-T28 HydrophobicContact CG1-CG2 3.91Å; Y20-T28 HydrophobicContact CE2-CG2 4.2Å; Y20-T28 VanDerWaalsContact CE2-OG1 3.3Å; Y20-T28 WeakPolarHBondContact CE2-OG1 3.44Å; G24-T28 WeakPolarHBondContact O-CB 3.32Å; G24-T28 PolarHBondContact O-N 2.97Å; G24-T28 PolarHBondContact O-OG1 3.45Å; I26-T28 PolarHBondContact O-N 2.74Å; T28-L30 VanDerWaalsContact C-N 3.33Å; T28-L30 PolarHBondContact O-N 3.34Å; T28-N31 PolarHBondContact O-N 3.24Å; T28-F32 HydrophobicContact CG2-CD2 4.04Å; T28-F32 HydrophobicContact CG2-CE2 3.49Å; T28-F32 VanDerWaalsContact CG2-CE2 3.49Å; T28-F32 HydrophobicContact CG2-CZ 3.99Å; T28-F32 VanDerWaalsContact O-CD2 3.29Å; T28-F32 WeakPolarHBondContact O-CD2 3.45Å; T28-F32 PolarHBondContact O-N 3.31Å |
| 29 | S | 86.7 | Confident | 86.9 | Confident | 14 Ų | 14 | 53.7 Ų | 53.7 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 174.7 | -62.6 | 0 | 0 | 0 | 0 | 112.1 | A25 I26 M27 F32 F33 | A25-S29 WeakPolarHBondContact O-CB 3.47Å; A25-S29 PolarHBondContact O-N 3.03Å; A25-S29 PolarHBondContact O-OG 3.03Å; I26-S29 WeakPolarHBondContact O-CB 3.39Å; I26-S29 PolarHBondContact O-N 3.18Å; M27-S29 VanDerWaalsContact C-N 3.3Å; M27-S29 PolarHBondContact O-N 2.94Å; S29-F32 PolarHBondContact O-N 3.32Å; S29-F33 WeakPolarHBondContact O-CB 3.4Å; S29-F33 PolarHBondContact O-N 2.92Å |
| 30 | L | 86.9 | Confident | 87 | Confident | 21 Ų | 21 | 51.4 Ų | 51.4 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.3 | -38 | 176.2 | -173.4 | 64.6 | 0 | 0 | 0 | 111.7 | I26 M27 T28 F33 A34 V64 S68 I74 | I26-L30 PolarHBondContact O-N 3.15Å; M27-L30 PolarHBondContact O-N 3.22Å; T28-L30 VanDerWaalsContact C-N 3.33Å; T28-L30 PolarHBondContact O-N 3.34Å; L30-F33 HydrophobicContact CD1-CD1 4.39Å; L30-F33 WeakPolarHBondContact O-CB 3.4Å; L30-F33 PolarHBondContact O-N 3.22Å; L30-A34 WeakPolarHBondContact O-CB 3.24Å; L30-A34 PolarHBondContact O-N 3.28Å; L30-V64 HydrophobicContact CD2-CG1 3.66Å; L30-S68 VanDerWaalsContact CD2-OG 3.29Å; L30-S68 WeakPolarHBondContact CD2-OG 3.4Å; L30-I74 HydrophobicContact CD1-CD1 3.76Å |
| 31 | N | 85.8 | Confident | 87.1 | Confident | 68 Ų | 68 | 47.1 Ų | 47.1 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 175.2 | -66.4 | -10.6 | 0 | 0 | 0 | 112 | M27 T28 F33 A34 S35 S70 | M27-N31 VanDerWaalsContact O-CG 3.29Å; M27-N31 PolarHBondContact O-N 3.45Å; M27-N31 PolarHBondContact O-OD1 3.1Å; T28-N31 PolarHBondContact O-N 3.24Å; N31-F33 VanDerWaalsContact C-N 3.28Å; N31-F33 PolarHBondContact O-N 3.35Å; N31-A34 PolarHBondContact O-N 3.49Å; N31-S35 PolarHBondContact O-N 3.48Å; N31-S35 VanDerWaalsContact O-N 3.16Å; N31-S70 WeakPolarHBondContact CA-OG 3.45Å; N31-S70 PolarHBondContact OD1-OG 3.34Å |
| 32 | F | 87 | Confident | 87.1 | Confident | 74 Ų | 74 | 49 Ų | 49 | 33% | 0.325 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 173.6 | -70.7 | -45.4 | 0 | 0 | 0 | 111.8 | V9 V14 Y18 T28 S29 S35 Q36 | V9-F32 HydrophobicContact CG2-CB 4.23Å; V14-F32 HydrophobicContact CG2-CD2 4.46Å; V14-F32 HydrophobicContact CG2-CE2 4.38Å; Y18-F32 HydrophobicContact CE2-CE2 4.07Å; Y18-F32 HydrophobicContact CE2-CZ 4.1Å; Y18-F32 AromaticContact CZ-CZ 3.98Å; Y18-F32 WeakPolarHBondContact OH-CZ 3.46Å; T28-F32 HydrophobicContact CG2-CD2 4.04Å; T28-F32 HydrophobicContact CG2-CE2 3.49Å; T28-F32 VanDerWaalsContact CG2-CE2 3.49Å; T28-F32 HydrophobicContact CG2-CZ 3.99Å; T28-F32 VanDerWaalsContact O-CD2 3.29Å; T28-F32 WeakPolarHBondContact O-CD2 3.45Å; T28-F32 PolarHBondContact O-N 3.31Å; S29-F32 PolarHBondContact O-N 3.32Å; F32-S35 PolarHBondContact O-N 3.15Å; F32-S35 PolarHBondContact O-OG 3.36Å; F32-Q36 PolarHBondContact O-N 3.22Å |
| 33 | F | 86.6 | Confident | 87.2 | Confident | 26 Ų | 26 | 47.8 Ų | 47.8 | 11% | 0.114 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 177.5 | -177.7 | -111.5 | 0 | 0 | 0 | 112.5 | I5 V9 S29 L30 N31 S35 Q36 F37 V40 I74 | I5-F33 HydrophobicContact CD1-CB 3.78Å; I5-F33 HydrophobicContact CD1-CD1 3.56Å; I5-F33 HydrophobicContact CD1-CD2 3.7Å; I5-F33 HydrophobicContact CD1-CE1 3.98Å; I5-F33 HydrophobicContact CD1-CE2 4.12Å; I5-F33 HydrophobicContact CD1-CG 3.38Å; I5-F33 HydrophobicContact CD1-CZ 4.24Å; I5-F33 HydrophobicContact CG1-CB 4.34Å; I5-F33 HydrophobicContact CG1-CD1 4.4Å; I5-F33 HydrophobicContact CG1-CD2 3.63Å; I5-F33 HydrophobicContact CG1-CE2 3.95Å; I5-F33 HydrophobicContact CG1-CG 3.88Å; I5-F33 HydrophobicContact CG1-CZ 4.45Å; V9-F33 HydrophobicContact CG2-CB 4.48Å; S29-F33 WeakPolarHBondContact O-CB 3.4Å; S29-F33 PolarHBondContact O-N 2.92Å; L30-F33 HydrophobicContact CD1-CD1 4.39Å; L30-F33 WeakPolarHBondContact O-CB 3.4Å; L30-F33 PolarHBondContact O-N 3.22Å; N31-F33 VanDerWaalsContact C-N 3.28Å; N31-F33 PolarHBondContact O-N 3.35Å; F33-S35 VanDerWaalsContact C-N 3.25Å; F33-S35 PolarHBondContact O-N 3.27Å; F33-Q36 CarbonylContact O-C 3.56Å; F33-Q36 PolarHBondContact O-N 3Å; F33-F37 HydrophobicContact CD1-CD2 4.13Å; F33-F37 AromaticContact CE1-CD2 3.4Å; F33-F37 HydrophobicContact CE1-CD2 3.4Å; F33-F37 VanDerWaalsContact CE1-CD2 3.4Å; F33-F37 AromaticContact CE1-CE2 3.68Å; F33-F37 HydrophobicContact CE1-CE2 3.68Å; F33-F37 HydrophobicContact CE2-CD2 4.5Å; F33-F37 AromaticContact CZ-CD2 3.63Å; F33-F37 HydrophobicContact CZ-CD2 3.63Å; F33-F37 AromaticContact CZ-CE2 3.87Å; F33-F37 HydrophobicContact CZ-CE2 3.87Å; F33-F37 PolarHBondContact O-N 3.27Å; F33-V40 HydrophobicContact CE2-CG2 3.85Å; F33-V40 HydrophobicContact CZ-CG2 3.82Å; F33-I74 HydrophobicContact CD1-CD1 3.86Å; F33-I74 HydrophobicContact CE1-CD1 4.18Å |
| 34 | A | 87.4 | Confident | 87.3 | Confident | 15 Ų | 15 | 42.6 Ų | 42.6 | 12% | 0.124 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.8 | -39.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L30 N31 Q36 F37 I74 | L30-A34 WeakPolarHBondContact O-CB 3.24Å; L30-A34 PolarHBondContact O-N 3.28Å; N31-A34 PolarHBondContact O-N 3.49Å; A34-Q36 PolarHBondContact O-N 3.42Å; A34-F37 VanDerWaalsContact O-CB 3.28Å; A34-F37 WeakPolarHBondContact O-CB 3.28Å; A34-F37 PolarHBondContact O-N 2.99Å; A34-I74 HydrophobicContact CB-CD1 4.33Å; A34-I74 HydrophobicContact CB-CG1 4.32Å |
| 35 | S | 86.6 | Confident | 87.4 | Confident | 53 Ų | 53 | 44.5 Ų | 44.5 | 37% | 0.371 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.7 | -29.3 | 176.6 | 79.1 | 0 | 0 | 0 | 0 | 113.6 | N31 F32 F33 H38 | N31-S35 PolarHBondContact O-N 3.48Å; N31-S35 VanDerWaalsContact O-N 3.16Å; F32-S35 PolarHBondContact O-N 3.15Å; F32-S35 PolarHBondContact O-OG 3.36Å; F33-S35 VanDerWaalsContact C-N 3.25Å; F33-S35 PolarHBondContact O-N 3.27Å; S35-H38 PolarHBondContact O-CE1 3.39Å; S35-H38 PolarHBondContact O-ND1 2.66Å |
| 36 | Q | 85.2 | Confident | 87.4 | Confident | 67 Ų | 67 | 51 Ų | 51 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 8.7 | -180 | -57.8 | -166.9 | 30 | 0 | 0 | 113.1 | F32 F33 A34 H38 K39 | F32-Q36 PolarHBondContact O-N 3.22Å; F33-Q36 CarbonylContact O-C 3.56Å; F33-Q36 PolarHBondContact O-N 3Å; A34-Q36 PolarHBondContact O-N 3.42Å; Q36-H38 PolarHBondContact O-N 3.45Å; Q36-K39 HydrophobicContact CB-CD 4.34Å; Q36-K39 WeakPolarHBondContact O-CB 3.45Å; Q36-K39 PolarHBondContact O-N 3.29Å |
| 37 | F | 87.4 | Confident | 87.5 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67 | -24.9 | -170.6 | -166.7 | -112.6 | 0 | 0 | 0 | 112.9 | F33 A34 K39 V40 V41 I74 L77 L78 | F33-F37 HydrophobicContact CD1-CD2 4.13Å; F33-F37 AromaticContact CE1-CD2 3.4Å; F33-F37 HydrophobicContact CE1-CD2 3.4Å; F33-F37 VanDerWaalsContact CE1-CD2 3.4Å; F33-F37 AromaticContact CE1-CE2 3.68Å; F33-F37 HydrophobicContact CE1-CE2 3.68Å; F33-F37 HydrophobicContact CE2-CD2 4.5Å; F33-F37 AromaticContact CZ-CD2 3.63Å; F33-F37 HydrophobicContact CZ-CD2 3.63Å; F33-F37 AromaticContact CZ-CE2 3.87Å; F33-F37 HydrophobicContact CZ-CE2 3.87Å; F33-F37 PolarHBondContact O-N 3.27Å; A34-F37 VanDerWaalsContact O-CB 3.28Å; A34-F37 WeakPolarHBondContact O-CB 3.28Å; A34-F37 PolarHBondContact O-N 2.99Å; F37-K39 PolarHBondContact O-N 3.16Å; F37-V40 HydrophobicContact CD2-CB 4.08Å; F37-V40 HydrophobicContact CD2-CG2 4.11Å; F37-V40 HydrophobicContact CE2-CB 4.04Å; F37-V40 HydrophobicContact CE2-CG1 4.01Å; F37-V40 HydrophobicContact CE2-CG2 4.34Å; F37-V40 HydrophobicContact CZ-CG1 4.46Å; F37-V40 WeakPolarHBondContact O-CA 3.41Å; F37-V40 VanDerWaalsContact O-CB 3.31Å; F37-V40 WeakPolarHBondContact O-CB 3.27Å; F37-V40 PolarHBondContact O-N 3.22Å; F37-V41 HydrophobicContact CD1-CG2 4.38Å; F37-V41 HydrophobicContact CE1-CG2 4.14Å; F37-V41 PolarHBondContact O-N 3.03Å; F37-V41 VanDerWaalsContact O-N 3.12Å; F37-I74 HydrophobicContact CD1-CB 4.39Å; F37-I74 HydrophobicContact CD1-CG1 4.13Å; F37-I74 HydrophobicContact CD1-CG2 4.28Å; F37-I74 HydrophobicContact CD2-CG1 4.11Å; F37-I74 HydrophobicContact CD2-CG2 4.37Å; F37-I74 HydrophobicContact CE1-CB 4.34Å; F37-I74 HydrophobicContact CE1-CG1 4.49Å; F37-I74 HydrophobicContact CE1-CG2 3.8Å; F37-I74 HydrophobicContact CE2-CG1 4.42Å; F37-I74 HydrophobicContact CE2-CG2 3.85Å; F37-I74 HydrophobicContact CG-CG1 3.99Å; F37-I74 HydrophobicContact CZ-CG2 3.57Å; F37-L77 HydrophobicContact CD1-CB 4.19Å; F37-L77 HydrophobicContact CD1-CD2 3.55Å; F37-L77 HydrophobicContact CD1-CG 4.33Å; F37-L77 HydrophobicContact CE1-CB 4.34Å; F37-L77 HydrophobicContact CE1-CD2 4.19Å; F37-L78 HydrophobicContact CE1-CD1 4.3Å; F37-L78 HydrophobicContact CE1-CD2 4.01Å; F37-L78 HydrophobicContact CE1-CG 3.75Å; F37-L78 HydrophobicContact CZ-CD1 3.93Å; F37-L78 HydrophobicContact CZ-CD2 3.82Å; F37-L78 HydrophobicContact CZ-CG 3.77Å |
| 38 | H | 87.2 | Confident | 87.4 | Confident | 96 Ų | 96 | 51.8 Ų | 51.8 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -52.6 | -38 | 169.3 | 63.5 | -87.3 | 0 | 0 | 0 | 112.8 | S35 Q36 V40 V41 D42 | S35-H38 PolarHBondContact O-CE1 3.39Å; S35-H38 PolarHBondContact O-ND1 2.66Å; Q36-H38 PolarHBondContact O-N 3.45Å; H38-V40 PolarHBondContact O-N 3.16Å; H38-V41 WeakPolarHBondContact O-CB 3.34Å; H38-V41 PolarHBondContact O-N 2.64Å; H38-V41 VanDerWaalsContact O-N 3.15Å; H38-D42 VanDerWaalsContact O-CG 3.26Å; H38-D42 PolarHBondContact O-N 2.94Å |
| 39 | K | 87.4 | Confident | 87.3 | Confident | 100 Ų | 100 | 54.5 Ų | 54.5 | 44% | 0.435 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.5 | -31.1 | 176.8 | -57.5 | -178.8 | -176.1 | 170 | 0 | 112.1 | Q36 F37 I43 | Q36-K39 HydrophobicContact CB-CD 4.34Å; Q36-K39 WeakPolarHBondContact O-CB 3.45Å; Q36-K39 PolarHBondContact O-N 3.29Å; F37-K39 PolarHBondContact O-N 3.16Å; K39-I43 VanDerWaalsContact O-CD1 3.28Å; K39-I43 WeakPolarHBondContact O-CD1 3.28Å; K39-I43 VanDerWaalsContact O-CG1 3.24Å; K39-I43 WeakPolarHBondContact O-CG1 3.31Å; K39-I43 PolarHBondContact O-N 3.23Å |
| 40 | V | 87.5 | Confident | 87.4 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 12% | 0.121 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -73.3 | -43 | 176.9 | 178.7 | 0 | 0 | 0 | 0 | 109.3 | F33 F37 H38 D42 I43 I44 | F33-V40 HydrophobicContact CE2-CG2 3.85Å; F33-V40 HydrophobicContact CZ-CG2 3.82Å; F37-V40 HydrophobicContact CD2-CB 4.08Å; F37-V40 HydrophobicContact CD2-CG2 4.11Å; F37-V40 HydrophobicContact CE2-CB 4.04Å; F37-V40 HydrophobicContact CE2-CG1 4.01Å; F37-V40 HydrophobicContact CE2-CG2 4.34Å; F37-V40 HydrophobicContact CZ-CG1 4.46Å; F37-V40 WeakPolarHBondContact O-CA 3.41Å; F37-V40 VanDerWaalsContact O-CB 3.31Å; F37-V40 WeakPolarHBondContact O-CB 3.27Å; F37-V40 PolarHBondContact O-N 3.22Å; H38-V40 PolarHBondContact O-N 3.16Å; V40-D42 VanDerWaalsContact C-N 3.32Å; V40-D42 PolarHBondContact O-N 3.43Å; V40-I43 PolarHBondContact O-N 3.27Å; V40-I44 HydrophobicContact CG1-CD1 4.04Å; V40-I44 WeakPolarHBondContact O-CG1 3.28Å; V40-I44 PolarHBondContact O-N 3.2Å |
| 41 | V | 88.9 | Confident | 87.5 | Confident | 11 Ų | 11 | 64 Ų | 64 | 7% | 0.067 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.2 | -44.8 | 173.2 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | F37 H38 I43 I44 N45 L77 F82 | F37-V41 HydrophobicContact CD1-CG2 4.38Å; F37-V41 HydrophobicContact CE1-CG2 4.14Å; F37-V41 PolarHBondContact O-N 3.03Å; F37-V41 VanDerWaalsContact O-N 3.12Å; H38-V41 WeakPolarHBondContact O-CB 3.34Å; H38-V41 PolarHBondContact O-N 2.64Å; H38-V41 VanDerWaalsContact O-N 3.15Å; V41-I43 VanDerWaalsContact C-N 3.33Å; V41-I43 PolarHBondContact O-N 3.46Å; V41-I44 PolarHBondContact O-N 3.23Å; V41-I44 VanDerWaalsContact O-N 3.16Å; V41-N45 WeakPolarHBondContact O-CB 3.5Å; V41-N45 PolarHBondContact O-N 3.04Å; V41-N45 PolarHBondContact O-ND2 3.43Å; V41-L77 HydrophobicContact CG2-CD2 3.71Å; V41-L77 HydrophobicContact CG2-CG 4.03Å; V41-F82 HydrophobicContact CB-CE2 4.46Å; V41-F82 HydrophobicContact CG1-CE2 3.87Å; V41-F82 HydrophobicContact CG1-CZ 4.04Å; V41-F82 HydrophobicContact CG2-CE2 4.44Å |
| 42 | D | 89.5 | Confident | 87.5 | Confident | 82 Ų | 82 | 66.2 Ų | 66.2 | 44% | 0.439 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 176.8 | -64.2 | -27.7 | 0 | 0 | 0 | 112.2 | H38 V40 I44 N45 N46 | H38-D42 VanDerWaalsContact O-CG 3.26Å; H38-D42 PolarHBondContact O-N 2.94Å; V40-D42 VanDerWaalsContact C-N 3.32Å; V40-D42 PolarHBondContact O-N 3.43Å; D42-I44 VanDerWaalsContact C-N 3.34Å; D42-N45 PolarHBondContact O-N 3.02Å; D42-N46 WeakPolarHBondContact O-CB 3.33Å; D42-N46 PolarHBondContact O-N 3.42Å; D42-N46 PolarHBondContact O-ND2 3.39Å |
| 43 | I | 87.9 | Confident | 87.7 | Confident | 53 Ų | 53 | 69.2 Ų | 69.2 | 27% | 0.272 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 176.2 | -71.5 | 161.8 | 0 | 0 | 0 | 111.1 | M1 K3 K39 V40 V41 N47 | M1-I43 HydrophobicContact CE-CG2 3.92Å; M1-I43 HydrophobicContact SD-CG2 4.34Å; K3-I43 HydrophobicContact CD-CD1 4.24Å; K39-I43 VanDerWaalsContact O-CD1 3.28Å; K39-I43 WeakPolarHBondContact O-CD1 3.28Å; K39-I43 VanDerWaalsContact O-CG1 3.24Å; K39-I43 WeakPolarHBondContact O-CG1 3.31Å; K39-I43 PolarHBondContact O-N 3.23Å; V40-I43 PolarHBondContact O-N 3.27Å; V41-I43 VanDerWaalsContact C-N 3.33Å; V41-I43 PolarHBondContact O-N 3.46Å; I43-N47 PolarHBondContact O-N 3.04Å; I43-N47 PolarHBondContact O-ND2 3.24Å |
| 44 | I | 89.3 | Confident | 87.9 | Confident | 24 Ų | 24 | 72 Ų | 72 | 12% | 0.123 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.7 | -48 | 175.6 | -67.5 | 165.7 | 0 | 0 | 0 | 109.5 | V40 V41 D42 N46 N47 S48 V54 L78 F82 | V40-I44 HydrophobicContact CG1-CD1 4.04Å; V40-I44 WeakPolarHBondContact O-CG1 3.28Å; V40-I44 PolarHBondContact O-N 3.2Å; V41-I44 PolarHBondContact O-N 3.23Å; V41-I44 VanDerWaalsContact O-N 3.16Å; D42-I44 VanDerWaalsContact C-N 3.34Å; I44-N46 PolarHBondContact O-N 3.04Å; I44-N47 CarbonylContact O-C 3.44Å; I44-N47 PolarHBondContact O-N 2.97Å; I44-N47 VanDerWaalsContact O-N 3.09Å; I44-S48 PolarHBondContact O-N 3.49Å; I44-V54 HydrophobicContact CD1-CG1 4.19Å; I44-V54 HydrophobicContact CG1-CG1 4.34Å; I44-V54 HydrophobicContact CG1-CG2 4.46Å; I44-V54 HydrophobicContact CG2-CG2 4.03Å; I44-L78 HydrophobicContact CD1-CD2 4.39Å; I44-F82 HydrophobicContact CB-CE2 4.19Å; I44-F82 HydrophobicContact CB-CZ 3.96Å; I44-F82 HydrophobicContact CD1-CE2 4.44Å; I44-F82 HydrophobicContact CG2-CD1 4.36Å; I44-F82 HydrophobicContact CG2-CD2 4.38Å; I44-F82 HydrophobicContact CG2-CE1 3.8Å; I44-F82 HydrophobicContact CG2-CE2 3.83Å; I44-F82 HydrophobicContact CG2-CZ 3.51Å |
| 45 | N | 88.7 | Confident | 88.1 | Confident | 71 Ų | 71 | 78.6 Ų | 78.6 | 38% | 0.38 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -56.6 | -48.5 | 177.4 | -82.9 | -33.5 | 0 | 0 | 0 | 112.4 | V41 D42 N47 S48 F82 | V41-N45 WeakPolarHBondContact O-CB 3.5Å; V41-N45 PolarHBondContact O-N 3.04Å; V41-N45 PolarHBondContact O-ND2 3.43Å; D42-N45 PolarHBondContact O-N 3.02Å; N45-N47 PolarHBondContact O-N 3.31Å; N45-S48 VanDerWaalsContact O-CB 3.32Å; N45-S48 WeakPolarHBondContact O-CB 3.49Å; N45-S48 PolarHBondContact O-N 3.13Å; N45-S48 VanDerWaalsContact O-N 3.16Å; N45-S48 PolarHBondContact O-OG 3.46Å; N45-F82 WeakPolarHBondContact OD1-CE1 3.47Å; N45-F82 VanDerWaalsContact OD1-CZ 3.22Å; N45-F82 WeakPolarHBondContact OD1-CZ 3.29Å |
| 46 | N | 89.9 | Confident | 88.2 | Confident | 138 Ų | 138 | 80.1 Ų | 80.1 | 74% | 0.738 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.5 | -24.6 | 179.3 | -71.9 | -23.5 | 0 | 0 | 0 | 113.3 | D42 I44 | D42-N46 WeakPolarHBondContact O-CB 3.33Å; D42-N46 PolarHBondContact O-N 3.42Å; D42-N46 PolarHBondContact O-ND2 3.39Å; I44-N46 PolarHBondContact O-N 3.04Å |
| 47 | N | 88.3 | Confident | 88.3 | Confident | 46 Ų | 46 | 83 Ų | 83 | 25% | 0.246 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -105.6 | 4 | -180 | -69.5 | -69.4 | 0 | 0 | 0 | 113.7 | I43 I44 N45 G49 K50 Y51 | I43-N47 PolarHBondContact O-N 3.04Å; I43-N47 PolarHBondContact O-ND2 3.24Å; I44-N47 CarbonylContact O-C 3.44Å; I44-N47 PolarHBondContact O-N 2.97Å; I44-N47 VanDerWaalsContact O-N 3.09Å; N45-N47 PolarHBondContact O-N 3.31Å; N47-G49 PolarHBondContact O-N 3.24Å; N47-K50 PolarHBondContact O-N 3.32Å; N47-Y51 HydrophobicContact CB-CD2 3.96Å; N47-Y51 HydrophobicContact CB-CE2 4.22Å; N47-Y51 PolarHBondContact O-N 3.23Å; N47-Y51 VanDerWaalsContact O-N 3.16Å |
| 48 | S | 83.6 | Confident | 88 | Confident | 79 Ų | 79 | 85.4 Ų | 85.4 | 55% | 0.552 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -31.7 | -177.4 | 59.2 | 0 | 0 | 0 | 0 | 113.2 | I44 N45 K50 | I44-S48 PolarHBondContact O-N 3.49Å; N45-S48 VanDerWaalsContact O-CB 3.32Å; N45-S48 WeakPolarHBondContact O-CB 3.49Å; N45-S48 PolarHBondContact O-N 3.13Å; N45-S48 VanDerWaalsContact O-N 3.16Å; N45-S48 PolarHBondContact O-OG 3.46Å; S48-K50 VanDerWaalsContact C-N 3.31Å; S48-K50 PolarHBondContact O-N 2.93Å |
| 49 | G | 85.9 | Confident | 87 | Confident | 83 Ų | 83 | 85.4 Ų | 85.4 | 86% | 0.856 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -13.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N47 | N47-G49 PolarHBondContact O-N 3.24Š|
| 50 | K | 88.2 | Confident | 86.3 | Confident | 146 Ų | 146 | 84.4 Ų | 84.4 | 64% | 0.635 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -32.8 | -175.9 | -176.7 | 173.7 | 178 | 176.1 | 0 | 113.2 | N47 S48 | N47-K50 PolarHBondContact O-N 3.32Å; S48-K50 VanDerWaalsContact C-N 3.31Å; S48-K50 PolarHBondContact O-N 2.93Å |
| 51 | Y | 88.5 | Confident | 86.1 | Confident | 88 Ų | 88 | 87.2 Ų | 87.2 | 35% | 0.345 | 50% | 0.502 | S | S | . | . | trans | -126.8 | 131.4 | -177.1 | -54.2 | -73.8 | 0 | 0 | 0 | 110.4 | M1 N47 | M1-Y51 HydrophobicContact CB-CE2 4.03Å; N47-Y51 HydrophobicContact CB-CD2 3.96Å; N47-Y51 HydrophobicContact CB-CE2 4.22Å; N47-Y51 PolarHBondContact O-N 3.23Å; N47-Y51 VanDerWaalsContact O-N 3.16Å | ||
| 52 | S | 87.1 | Confident | 85.9 | Confident | 115 Ų | 115 | 89.7 Ų | 89.7 | 80% | 0.804 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -81.6 | -26.3 | 178.6 | -51.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 53 | Y | 90.5 | Very high | 85.8 | Confident | 136 Ų | 136 | 92 Ų | 92 | 53% | 0.533 | 52% | 0.522 | S | S | . | . | trans | -128.6 | 140.6 | -176.3 | -59.1 | -77 | 0 | 0 | 0 | 110.9 | I212 | Y53-I212 HydrophobicContact CE1-CG2 4Š| ||
| 54 | V | 91.3 | Very high | 85.6 | Confident | 85 Ų | 85 | 90.6 Ų | 90.6 | 52% | 0.515 | 52% | 0.517 | S | S | . | . | trans | -121.2 | 119.8 | 171.6 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | I44 I56 | I44-V54 HydrophobicContact CD1-CG1 4.19Å; I44-V54 HydrophobicContact CG1-CG1 4.34Å; I44-V54 HydrophobicContact CG1-CG2 4.46Å; I44-V54 HydrophobicContact CG2-CG2 4.03Å; V54-I56 HydrophobicContact CG1-CG1 4.26Å | ||
| 55 | I | 91.6 | Very high | 85.4 | Confident | 154 Ų | 154 | 91 Ų | 91 | 79% | 0.79 | 52% | 0.517 | S | S | * | . | trans | -100.3 | 125.5 | 176.8 | -59.5 | 170.9 | 0 | 0 | 0 | 107.4 | ||||
| 56 | I | 89 | Confident | 85.3 | Confident | 85 Ų | 85 | 87.7 Ų | 87.7 | 44% | 0.436 | 50% | 0.5 | S | S | . | . | trans | -110.9 | 106.5 | 174 | -58.4 | 176.1 | 0 | 0 | 0 | 106.5 | V54 L78 | V54-I56 HydrophobicContact CG1-CG1 4.26Å; I56-L78 HydrophobicContact CD1-CD1 3.37Å; I56-L78 HydrophobicContact CD1-CD2 3.9Å; I56-L78 HydrophobicContact CD1-CG 4.27Å | ||
| 57 | D | 87.5 | Confident | 85.1 | Confident | 128 Ų | 128 | 88.2 Ų | 88.2 | 68% | 0.684 | 49% | 0.492 | S | S | * | . | trans | -93.6 | 133.8 | 179.8 | -173.4 | 18.8 | 0 | 0 | 0 | 110.6 | P59 | D57-P59 WeakPolarHBondContact O-CD 3.32Š| ||
| 58 | T | 81 | Confident | 85.1 | Confident | 54 Ų | 54 | 86.4 Ų | 86.4 | 33% | 0.331 | 48% | 0.482 | S | S | . | . | trans | -123.1 | 70.1 | -179.9 | 52.7 | 0 | 0 | 0 | 0 | 110 | G60 F65 | T58-G60 PolarHBondContact O-N 3.18Å; T58-G60 VanDerWaalsContact O-N 3.15Å; T58-F65 HydrophobicContact CG2-CD2 4.09Å; T58-F65 HydrophobicContact CG2-CE2 4.45Å; T58-F65 HydrophobicContact CG2-CG 4.2Å | ||
| 59 | P | 66 | Low | 85.3 | Confident | 95 Ų | 95 | 86.1 Ų | 86.1 | 62% | 0.617 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 120.1 | -168.3 | 25.5 | -35.2 | 0 | 0 | 0 | 111.9 | D57 Q61 | D57-P59 WeakPolarHBondContact O-CD 3.32Å; P59-Q61 WeakPolarHBondContact O-CG 3.5Å; P59-Q61 PolarHBondContact O-N 3.4Å |
| 60 | G | 72.7 | Confident | 85.3 | Confident | 79 Ų | 79 | 82.5 Ų | 82.5 | 81% | 0.814 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 9.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | T58 | T58-G60 PolarHBondContact O-N 3.18Å; T58-G60 VanDerWaalsContact O-N 3.15Å |
| 61 | Q | 81.7 | Confident | 85.3 | Confident | 79 Ų | 79 | 75.5 Ų | 75.5 | 37% | 0.369 | 42% | 0.416 | S | S | . | . | trans | -122.3 | 31 | -174.6 | -63.5 | -61.8 | -20.5 | 0 | 0 | 111.5 | P59 E63 V64 F65 | P59-Q61 WeakPolarHBondContact O-CG 3.5Å; P59-Q61 PolarHBondContact O-N 3.4Å; Q61-E63 PolarHBondContact O-N 3.2Å; Q61-V64 HydrophobicContact CB-CB 4.46Å; Q61-V64 PolarHBondContact O-N 2.91Å; Q61-V64 VanDerWaalsContact OE1-CG2 3.29Å; Q61-F65 PolarHBondContact O-N 3.44Å | ||
| 62 | I | 86.5 | Confident | 85.2 | Confident | 64 Ų | 64 | 73.1 Ų | 73.1 | 33% | 0.328 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -57.5 | -35.2 | 179.3 | -171.6 | 159.8 | 0 | 0 | 0 | 111.7 | F65 T66 Y88 Y107 V111 | I62-F65 PolarHBondContact O-N 2.89Å; I62-T66 WeakPolarHBondContact O-CB 3.4Å; I62-T66 PolarHBondContact O-N 3.12Å; I62-T66 PolarHBondContact O-OG1 2.91Å; I62-Y88 HydrophobicContact CD1-CD2 4.13Å; I62-Y88 HydrophobicContact CD1-CE2 3.75Å; I62-Y107 HydrophobicContact CD1-CE1 3.66Å; I62-Y107 HydrophobicContact CG1-CE1 3.91Å; I62-Y107 HydrophobicContact CG2-CE1 4.22Å; I62-Y107 WeakPolarHBondContact CG2-OH 3.11Å; I62-V111 HydrophobicContact CD1-CG2 4.41Å |
| 63 | E | 86.2 | Confident | 85.4 | Confident | 129 Ų | 129 | 71.8 Ų | 71.8 | 60% | 0.603 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -66.6 | -48 | 177.6 | -68.4 | -179.3 | -179.6 | 0 | 0 | 112.1 | Q61 F65 T66 W67 | Q61-E63 PolarHBondContact O-N 3.2Å; E63-F65 PolarHBondContact O-N 3.15Å; E63-T66 PolarHBondContact O-N 3.26Å; E63-W67 WeakPolarHBondContact O-CB 3.46Å; E63-W67 PolarHBondContact O-N 3.21Å |
| 64 | V | 84.3 | Confident | 85.3 | Confident | 25 Ų | 25 | 65.5 Ų | 65.5 | 15% | 0.152 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.8 | -38.7 | 177.8 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | I26 M27 L30 Q61 S68 | I26-V64 HydrophobicContact CG2-CG1 4.02Å; I26-V64 HydrophobicContact CG2-CG2 4.09Å; M27-V64 HydrophobicContact CE-CG1 3.82Å; M27-V64 HydrophobicContact CE-CG2 4.48Å; M27-V64 HydrophobicContact SD-CG1 4.08Å; L30-V64 HydrophobicContact CD2-CG1 3.66Å; Q61-V64 HydrophobicContact CB-CB 4.46Å; Q61-V64 PolarHBondContact O-N 2.91Å; Q61-V64 VanDerWaalsContact OE1-CG2 3.29Å; V64-S68 WeakPolarHBondContact O-CB 3.22Å; V64-S68 PolarHBondContact O-N 3.37Å; V64-S68 PolarHBondContact O-OG 3.01Å |
| 65 | F | 84.3 | Confident | 85.2 | Confident | 31 Ų | 31 | 61.8 Ų | 61.8 | 14% | 0.136 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -74.8 | -37.5 | 179.1 | -167.3 | -100.6 | 0 | 0 | 0 | 113.4 | T58 Q61 I62 E63 G71 I74 T75 M115 | T58-F65 HydrophobicContact CG2-CD2 4.09Å; T58-F65 HydrophobicContact CG2-CE2 4.45Å; T58-F65 HydrophobicContact CG2-CG 4.2Å; Q61-F65 PolarHBondContact O-N 3.44Å; I62-F65 PolarHBondContact O-N 2.89Å; E63-F65 PolarHBondContact O-N 3.15Å; F65-G71 VanDerWaalsContact O-CA 3.29Å; F65-G71 WeakPolarHBondContact O-CA 3.49Å; F65-I74 HydrophobicContact CE2-CB 4.16Å; F65-I74 HydrophobicContact CE2-CD1 4.43Å; F65-I74 HydrophobicContact CE2-CG2 3.81Å; F65-I74 HydrophobicContact CZ-CG2 4.02Å; F65-T75 VanDerWaalsContact CE1-OG1 3.25Å; F65-T75 WeakPolarHBondContact CE1-OG1 3.5Å; F65-T75 WeakPolarHBondContact CZ-OG1 3.3Å; F65-M115 HydrophobicContact CD1-CE 3.68Å; F65-M115 HydrophobicContact CE1-CE 3.8Å |
| 66 | T | 86.5 | Confident | 85 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -80 | -38.9 | -176.4 | -54.6 | 0 | 0 | 0 | 0 | 112.3 | I62 E63 V111 K114 M115 | I62-T66 WeakPolarHBondContact O-CB 3.4Å; I62-T66 PolarHBondContact O-N 3.12Å; I62-T66 PolarHBondContact O-OG1 2.91Å; E63-T66 PolarHBondContact O-N 3.26Å; T66-V111 HydrophobicContact CG2-CG2 4.11Å; T66-K114 HydrophobicContact CG2-CB 4.33Å; T66-K114 HydrophobicContact CG2-CG 3.96Å; T66-K114 VanDerWaalsContact O-CE 3.29Å; T66-K114 WeakPolarHBondContact O-CE 3.48Å; T66-M115 HydrophobicContact CG2-CE 4.27Å |
| 67 | W | 86.3 | Confident | 85 | Confident | 150 Ų | 150 | 57.4 Ų | 57.4 | 57% | 0.568 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -100.4 | -14 | -172.3 | -57.9 | 115.8 | 0 | 0 | 0 | 114.1 | E63 | E63-W67 WeakPolarHBondContact O-CB 3.46Å; E63-W67 PolarHBondContact O-N 3.21Å |
| 68 | S | 88.1 | Confident | 85.2 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -79.1 | 149.9 | 174.9 | 73.5 | 0 | 0 | 0 | 0 | 112.7 | M27 L30 V64 S70 G71 S72 | M27-S68 WeakPolarHBondContact SD-CB 3.19Å; L30-S68 VanDerWaalsContact CD2-OG 3.29Å; L30-S68 WeakPolarHBondContact CD2-OG 3.4Å; V64-S68 WeakPolarHBondContact O-CB 3.22Å; V64-S68 PolarHBondContact O-N 3.37Å; V64-S68 PolarHBondContact O-OG 3.01Å; S68-S70 PolarHBondContact O-N 3.23Å; S68-G71 PolarHBondContact O-N 3.2Å; S68-G71 PolarHBondContact OG-N 2.64Å; S68-S72 PolarHBondContact O-N 3.36Å; S68-S72 PolarHBondContact O-OG 3.5Å |
| 69 | A | 87.2 | Confident | 85.6 | Confident | 73 Ų | 73 | 49.3 Ų | 49.3 | 60% | 0.603 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -58.4 | -39.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G71 S72 I73 | A69-G71 PolarHBondContact O-N 3Å; A69-S72 WeakPolarHBondContact O-CB 3.22Å; A69-S72 PolarHBondContact O-N 2.83Å; A69-I73 VanDerWaalsContact O-CG1 3.29Å; A69-I73 WeakPolarHBondContact O-CG1 3.34Å; A69-I73 PolarHBondContact O-N 2.81Å |
| 70 | S | 86.8 | Confident | 86.6 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 5% | 0.049 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.9 | -39.1 | -179.4 | -70.3 | 0 | 0 | 0 | 0 | 113.3 | N31 S68 I73 I74 | N31-S70 WeakPolarHBondContact CA-OG 3.45Å; N31-S70 PolarHBondContact OD1-OG 3.34Å; S68-S70 PolarHBondContact O-N 3.23Å; S70-I73 PolarHBondContact O-N 2.85Å; S70-I74 WeakPolarHBondContact O-CB 3.48Å; S70-I74 WeakPolarHBondContact O-CD1 3.29Å; S70-I74 VanDerWaalsContact O-CG1 3.22Å; S70-I74 WeakPolarHBondContact O-CG1 3.44Å; S70-I74 PolarHBondContact O-N 2.94Å |
| 71 | G | 87.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.4 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F65 S68 A69 I73 I74 T75 | F65-G71 VanDerWaalsContact O-CA 3.29Å; F65-G71 WeakPolarHBondContact O-CA 3.49Å; S68-G71 PolarHBondContact O-N 3.2Å; S68-G71 PolarHBondContact OG-N 2.64Å; A69-G71 PolarHBondContact O-N 3Å; G71-I73 PolarHBondContact O-N 3.37Å; G71-I74 PolarHBondContact O-N 2.98Å; G71-T75 PolarHBondContact O-N 3.4Å; G71-T75 PolarHBondContact O-OG1 3.24Å; G71-T75 VanDerWaalsContact O-OG1 3.07Å |
| 72 | S | 88 | Confident | 87.8 | Confident | 37 Ų | 37 | 44 Ų | 44 | 26% | 0.259 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.1 | -43.9 | 173.5 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | S68 A69 I74 T75 E76 | S68-S72 PolarHBondContact O-N 3.36Å; S68-S72 PolarHBondContact O-OG 3.5Å; A69-S72 WeakPolarHBondContact O-CB 3.22Å; A69-S72 PolarHBondContact O-N 2.83Å; S72-I74 VanDerWaalsContact C-N 3.34Å; S72-I74 PolarHBondContact O-N 3.19Å; S72-T75 PolarHBondContact O-N 3.24Å; S72-E76 VanDerWaalsContact O-CB 3.26Å; S72-E76 WeakPolarHBondContact O-CB 3.29Å; S72-E76 PolarHBondContact O-N 3.02Å |
| 73 | I | 89.4 | Confident | 88 | Confident | 87 Ų | 87 | 44.1 Ų | 44.1 | 45% | 0.446 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.2 | -43.3 | 176.8 | -68.1 | 162.8 | 0 | 0 | 0 | 111.2 | A69 S70 G71 L77 | A69-I73 VanDerWaalsContact O-CG1 3.29Å; A69-I73 WeakPolarHBondContact O-CG1 3.34Å; A69-I73 PolarHBondContact O-N 2.81Å; S70-I73 PolarHBondContact O-N 2.85Å; G71-I73 PolarHBondContact O-N 3.37Å; I73-L77 WeakPolarHBondContact O-CB 3.49Å; I73-L77 PolarHBondContact O-N 3.44Å |
| 74 | I | 89.5 | Confident | 88.4 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -50.6 | 179.5 | -72.8 | 163.5 | 0 | 0 | 0 | 110.4 | L30 F33 A34 F37 F65 S70 G71 S72 E76 L77 L78 | L30-I74 HydrophobicContact CD1-CD1 3.76Å; F33-I74 HydrophobicContact CD1-CD1 3.86Å; F33-I74 HydrophobicContact CE1-CD1 4.18Å; A34-I74 HydrophobicContact CB-CD1 4.33Å; A34-I74 HydrophobicContact CB-CG1 4.32Å; F37-I74 HydrophobicContact CD1-CB 4.39Å; F37-I74 HydrophobicContact CD1-CG1 4.13Å; F37-I74 HydrophobicContact CD1-CG2 4.28Å; F37-I74 HydrophobicContact CD2-CG1 4.11Å; F37-I74 HydrophobicContact CD2-CG2 4.37Å; F37-I74 HydrophobicContact CE1-CB 4.34Å; F37-I74 HydrophobicContact CE1-CG1 4.49Å; F37-I74 HydrophobicContact CE1-CG2 3.8Å; F37-I74 HydrophobicContact CE2-CG1 4.42Å; F37-I74 HydrophobicContact CE2-CG2 3.85Å; F37-I74 HydrophobicContact CG-CG1 3.99Å; F37-I74 HydrophobicContact CZ-CG2 3.57Å; F65-I74 HydrophobicContact CE2-CB 4.16Å; F65-I74 HydrophobicContact CE2-CD1 4.43Å; F65-I74 HydrophobicContact CE2-CG2 3.81Å; F65-I74 HydrophobicContact CZ-CG2 4.02Å; S70-I74 WeakPolarHBondContact O-CB 3.48Å; S70-I74 WeakPolarHBondContact O-CD1 3.29Å; S70-I74 VanDerWaalsContact O-CG1 3.22Å; S70-I74 WeakPolarHBondContact O-CG1 3.44Å; S70-I74 PolarHBondContact O-N 2.94Å; G71-I74 PolarHBondContact O-N 2.98Å; S72-I74 VanDerWaalsContact C-N 3.34Å; S72-I74 PolarHBondContact O-N 3.19Å; I74-E76 VanDerWaalsContact C-N 3.34Å; I74-E76 PolarHBondContact O-N 3.37Å; I74-L77 PolarHBondContact O-N 2.57Å; I74-L78 HydrophobicContact CG2-CD1 4Å; I74-L78 WeakPolarHBondContact O-CG 3.1Å; I74-L78 PolarHBondContact O-N 3.15Å |
| 75 | T | 89.1 | Confident | 88.8 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 5% | 0.049 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | 179.7 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | F65 G71 S72 L78 G79 M115 L117 | F65-T75 VanDerWaalsContact CE1-OG1 3.25Å; F65-T75 WeakPolarHBondContact CE1-OG1 3.5Å; F65-T75 WeakPolarHBondContact CZ-OG1 3.3Å; G71-T75 PolarHBondContact O-N 3.4Å; G71-T75 PolarHBondContact O-OG1 3.24Å; G71-T75 VanDerWaalsContact O-OG1 3.07Å; S72-T75 PolarHBondContact O-N 3.24Å; T75-L78 PolarHBondContact O-N 3.16Å; T75-G79 PolarHBondContact O-N 3.01Å; T75-M115 HydrophobicContact CG2-CB 4.48Å; T75-M115 HydrophobicContact CG2-SD 3.78Å; T75-L117 HydrophobicContact CG2-CD1 3.34Å; T75-L117 HydrophobicContact CG2-CG 4.26Å |
| 76 | E | 87.7 | Confident | 89.3 | Confident | 100 Ų | 100 | 39.9 Ų | 39.9 | 47% | 0.467 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.5 | -42.6 | 176.6 | -177.4 | 174.2 | 178.9 | 0 | 0 | 111.8 | S72 I74 L78 G79 N80 | S72-E76 VanDerWaalsContact O-CB 3.26Å; S72-E76 WeakPolarHBondContact O-CB 3.29Å; S72-E76 PolarHBondContact O-N 3.02Å; I74-E76 VanDerWaalsContact C-N 3.34Å; I74-E76 PolarHBondContact O-N 3.37Å; E76-L78 VanDerWaalsContact C-N 3.35Å; E76-L78 PolarHBondContact O-N 3.15Å; E76-G79 PolarHBondContact O-N 3.11Å; E76-N80 WeakPolarHBondContact O-CB 3.41Å; E76-N80 VanDerWaalsContact O-CG 3.23Å; E76-N80 PolarHBondContact O-N 2.94Å; E76-N80 PolarHBondContact O-ND2 3.45Å |
| 77 | L | 89.4 | Confident | 89.6 | Confident | 46 Ų | 46 | 43.2 Ų | 43.2 | 24% | 0.241 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.5 | -41.6 | 178.1 | -170.7 | 64.6 | 0 | 0 | 0 | 111.5 | F37 V41 I73 I74 S81 | F37-L77 HydrophobicContact CD1-CB 4.19Å; F37-L77 HydrophobicContact CD1-CD2 3.55Å; F37-L77 HydrophobicContact CD1-CG 4.33Å; F37-L77 HydrophobicContact CE1-CB 4.34Å; F37-L77 HydrophobicContact CE1-CD2 4.19Å; V41-L77 HydrophobicContact CG2-CD2 3.71Å; V41-L77 HydrophobicContact CG2-CG 4.03Å; I73-L77 WeakPolarHBondContact O-CB 3.49Å; I73-L77 PolarHBondContact O-N 3.44Å; I74-L77 PolarHBondContact O-N 2.57Å; L77-S81 VanDerWaalsContact O-CB 3.3Å; L77-S81 WeakPolarHBondContact O-CB 3.31Å; L77-S81 PolarHBondContact O-N 2.9Å; L77-S81 VanDerWaalsContact O-N 3.15Å; L77-S81 PolarHBondContact O-OG 3.26Å |
| 78 | L | 90.7 | Very high | 90 | Very high | 11 Ų | 11 | 37.1 Ų | 37.1 | 6% | 0.058 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.4 | -51.6 | 174.1 | -72 | 167.8 | 0 | 0 | 0 | 111.1 | F37 I44 I56 I74 T75 E76 N80 S81 F82 T84 | F37-L78 HydrophobicContact CE1-CD1 4.3Å; F37-L78 HydrophobicContact CE1-CD2 4.01Å; F37-L78 HydrophobicContact CE1-CG 3.75Å; F37-L78 HydrophobicContact CZ-CD1 3.93Å; F37-L78 HydrophobicContact CZ-CD2 3.82Å; F37-L78 HydrophobicContact CZ-CG 3.77Å; I44-L78 HydrophobicContact CD1-CD2 4.39Å; I56-L78 HydrophobicContact CD1-CD1 3.37Å; I56-L78 HydrophobicContact CD1-CD2 3.9Å; I56-L78 HydrophobicContact CD1-CG 4.27Å; I74-L78 HydrophobicContact CG2-CD1 4Å; I74-L78 WeakPolarHBondContact O-CG 3.1Å; I74-L78 PolarHBondContact O-N 3.15Å; T75-L78 PolarHBondContact O-N 3.16Å; E76-L78 VanDerWaalsContact C-N 3.35Å; E76-L78 PolarHBondContact O-N 3.15Å; L78-N80 PolarHBondContact O-N 3.18Å; L78-S81 PolarHBondContact O-N 3.09Å; L78-F82 HydrophobicContact CD2-CD2 4.32Å; L78-F82 PolarHBondContact O-N 2.69Å; L78-F82 VanDerWaalsContact O-O 3.05Å; L78-T84 VanDerWaalsContact C-OG1 3.22Å; L78-T84 HydrophobicContact CB-CG2 4.08Å; L78-T84 PolarHBondContact O-OG1 3.16Å; L78-T84 VanDerWaalsContact O-OG1 3.12Å |
| 79 | G | 89 | Confident | 90.3 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.9 | -25.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | T75 E76 Y219 L227 | T75-G79 PolarHBondContact O-N 3.01Å; E76-G79 PolarHBondContact O-N 3.11Å; G79-Y219 WeakPolarHBondContact O-CE2 2.96Å; G79-Y219 PolarHBondContact O-OH 3.16Å; G79-L227 VanDerWaalsContact O-CD1 3.31Å; G79-L227 WeakPolarHBondContact O-CD1 3.36Å |
| 80 | N | 87.6 | Confident | 90.6 | Very high | 54 Ų | 54 | 37.7 Ų | 37.7 | 29% | 0.289 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -84.8 | -27.7 | 173.4 | -73.3 | -30.8 | 0 | 0 | 0 | 113.4 | E76 L78 | E76-N80 WeakPolarHBondContact O-CB 3.41Å; E76-N80 VanDerWaalsContact O-CG 3.23Å; E76-N80 PolarHBondContact O-N 2.94Å; E76-N80 PolarHBondContact O-ND2 3.45Å; L78-N80 PolarHBondContact O-N 3.18Å |
| 81 | S | 88 | Confident | 90.9 | Very high | 53 Ų | 53 | 38.9 Ų | 38.9 | 37% | 0.371 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -95.8 | -31.5 | -172.3 | -53.9 | 0 | 0 | 0 | 0 | 112.8 | L77 L78 | L77-S81 VanDerWaalsContact O-CB 3.3Å; L77-S81 WeakPolarHBondContact O-CB 3.31Å; L77-S81 PolarHBondContact O-N 2.9Å; L77-S81 VanDerWaalsContact O-N 3.15Å; L77-S81 PolarHBondContact O-OG 3.26Å; L78-S81 PolarHBondContact O-N 3.09Å |
| 82 | F | 91.2 | Very high | 91.2 | Very high | 35 Ų | 35 | 38.9 Ų | 38.9 | 15% | 0.154 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -142.4 | 152.5 | -171.8 | -53.3 | -71.7 | 0 | 0 | 0 | 111.6 | V41 I44 N45 L78 T84 Y219 | V41-F82 HydrophobicContact CB-CE2 4.46Å; V41-F82 HydrophobicContact CG1-CE2 3.87Å; V41-F82 HydrophobicContact CG1-CZ 4.04Å; V41-F82 HydrophobicContact CG2-CE2 4.44Å; I44-F82 HydrophobicContact CB-CE2 4.19Å; I44-F82 HydrophobicContact CB-CZ 3.96Å; I44-F82 HydrophobicContact CD1-CE2 4.44Å; I44-F82 HydrophobicContact CG2-CD1 4.36Å; I44-F82 HydrophobicContact CG2-CD2 4.38Å; I44-F82 HydrophobicContact CG2-CE1 3.8Å; I44-F82 HydrophobicContact CG2-CE2 3.83Å; I44-F82 HydrophobicContact CG2-CZ 3.51Å; N45-F82 WeakPolarHBondContact OD1-CE1 3.47Å; N45-F82 VanDerWaalsContact OD1-CZ 3.22Å; N45-F82 WeakPolarHBondContact OD1-CZ 3.29Å; L78-F82 HydrophobicContact CD2-CD2 4.32Å; L78-F82 PolarHBondContact O-N 2.69Å; L78-F82 VanDerWaalsContact O-O 3.05Å; F82-T84 PolarHBondContact O-N 2.81Å; F82-T84 PolarHBondContact O-OG1 3.42Å; F82-Y219 PolarHBondContact O-OH 2.86Å; F82-Y219 VanDerWaalsContact O-OH 3.12Å |
| 83 | P | 92 | Very high | 91.4 | Very high | 65 Ų | 65 | 38.9 Ų | 38.9 | 42% | 0.422 | 21% | 0.213 | S | C | . | . | trans | -57.6 | 103.2 | 165.6 | -20.7 | 33.9 | 0 | 0 | 0 | 110.2 | K216 Y219 F220 | P83-K216 HydrophobicContact CB-CG 4.23Å; P83-Y219 VanDerWaalsContact CA-CE1 3.44Å; P83-Y219 HydrophobicContact CB-CD1 3.72Å; P83-Y219 HydrophobicContact CB-CE1 3.93Å; P83-Y219 HydrophobicContact CB-CG 4.26Å; P83-Y219 HydrophobicContact CG-CD1 4.2Å; P83-Y219 HydrophobicContact CG-CE1 4.08Å; P83-F220 HydrophobicContact CB-CE2 4.22Å; P83-F220 HydrophobicContact CB-CZ 4.16Å; P83-F220 HydrophobicContact CG-CE1 4.02Å; P83-F220 HydrophobicContact CG-CE2 3.82Å; P83-F220 HydrophobicContact CG-CZ 3.31Å | ||
| 84 | T | 92.9 | Very high | 91.4 | Very high | 23 Ų | 23 | 43.1 Ų | 43.1 | 14% | 0.141 | 22% | 0.224 | C | C | . | . | trans | -117.3 | 131.9 | -172.5 | -54.4 | 0 | 0 | 0 | 0 | 108.4 | L78 F82 L117 P118 | L78-T84 VanDerWaalsContact C-OG1 3.22Å; L78-T84 HydrophobicContact CB-CG2 4.08Å; L78-T84 PolarHBondContact O-OG1 3.16Å; L78-T84 VanDerWaalsContact O-OG1 3.12Å; F82-T84 PolarHBondContact O-N 2.81Å; F82-T84 PolarHBondContact O-OG1 3.42Å; T84-L117 HydrophobicContact CG2-CD1 3.72Å; T84-P118 WeakPolarHBondContact O-CD 3.34Å | ||
| 85 | L | 93.9 | Very high | 91.4 | Very high | 42 Ų | 42 | 43 Ų | 43 | 22% | 0.22 | 22% | 0.223 | C | C | . | . | trans | -128.7 | 157 | 175 | 61.1 | 82.1 | 0 | 0 | 0 | 109.4 | I87 P118 I120 I212 A215 | L85-I87 HydrophobicContact CD1-CD1 3.8Å; L85-I87 HydrophobicContact CD1-CG1 3.53Å; L85-P118 CarbonylContact C-O 3.55Å; L85-P118 WeakPolarHBondContact CA-O 3.46Å; L85-P118 HydrophobicContact CB-CB 4.14Å; L85-I120 HydrophobicContact CD1-CD1 4.42Å; L85-I120 HydrophobicContact CD2-CD1 4.43Å; L85-I212 HydrophobicContact CD2-CB 4.39Å; L85-I212 HydrophobicContact CD2-CG1 4.29Å; L85-I212 HydrophobicContact CD2-CG2 3.98Å; L85-A215 HydrophobicContact CD2-CB 4.17Å | ||
| 86 | I | 93.6 | Very high | 91.4 | Very high | 31 Ų | 31 | 46.7 Ų | 46.7 | 16% | 0.159 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 125.4 | 178.2 | -59.3 | -61.6 | 0 | 0 | 0 | 108.7 | V111 M115 L117 P118 F119 I120 | I86-V111 HydrophobicContact CG2-CG1 4.3Å; I86-M115 HydrophobicContact CG1-CB 4.19Å; I86-M115 HydrophobicContact CG1-CG 4.41Å; I86-L117 HydrophobicContact CD1-CD1 4.12Å; I86-L117 HydrophobicContact CG1-CB 3.98Å; I86-L117 HydrophobicContact CG1-CD1 4.17Å; I86-P118 PolarHBondContact N-O 2.93Å; I86-F119 HydrophobicContact CB-CD2 3.98Å; I86-F119 HydrophobicContact CG2-CD2 3.78Å; I86-F119 HydrophobicContact CG2-CE2 3.92Å; I86-F119 WeakPolarHBondContact O-CA 3.2Å; I86-I120 PolarHBondContact O-N 3.43Å |
| 87 | I | 94.4 | Very high | 91.4 | Very high | 72 Ų | 72 | 44.8 Ų | 44.8 | 37% | 0.369 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 113.6 | 172.6 | -64.4 | 154.1 | 0 | 0 | 0 | 107.5 | L85 V89 I120 V122 F208 | L85-I87 HydrophobicContact CD1-CD1 3.8Å; L85-I87 HydrophobicContact CD1-CG1 3.53Å; I87-V89 HydrophobicContact CG2-CG2 3.83Å; I87-I120 WeakPolarHBondContact CA-O 3.41Å; I87-V122 HydrophobicContact CG2-CB 4.23Å; I87-V122 HydrophobicContact CG2-CG2 3.54Å; I87-F208 HydrophobicContact CD1-CE2 4.34Å; I87-F208 HydrophobicContact CD1-CZ 3.71Å; I87-F208 HydrophobicContact CG1-CE2 4.24Å; I87-F208 HydrophobicContact CG1-CZ 4.1Å; I87-F208 HydrophobicContact CG2-CE2 4.39Å; I87-F208 HydrophobicContact CG2-CZ 4.36Å |
| 88 | Y | 94.7 | Very high | 91.4 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 9% | 0.09 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 108.8 | 173.7 | -171.6 | -86 | 0 | 0 | 0 | 109.8 | I62 M90 Y107 A108 V111 F119 I120 L121 V122 | I62-Y88 HydrophobicContact CD1-CD2 4.13Å; I62-Y88 HydrophobicContact CD1-CE2 3.75Å; Y88-M90 HydrophobicContact CE1-CE 4.05Å; Y88-Y107 AromaticContact CE2-CD1 3.72Å; Y88-Y107 HydrophobicContact CE2-CD1 3.72Å; Y88-Y107 HydrophobicContact CE2-CE1 4.13Å; Y88-Y107 AromaticContact CZ-CD1 3.95Å; Y88-Y107 WeakPolarHBondContact OH-CD1 3.48Å; Y88-A108 HydrophobicContact CD1-CB 3.96Å; Y88-A108 HydrophobicContact CD2-CB 4.36Å; Y88-A108 HydrophobicContact CE1-CB 3.89Å; Y88-A108 HydrophobicContact CE2-CB 4.33Å; Y88-A108 HydrophobicContact CG-CB 4.18Å; Y88-V111 HydrophobicContact CE2-CG2 4.44Å; Y88-F119 HydrophobicContact CD2-CE2 4.36Å; Y88-F119 HydrophobicContact CD2-CZ 4.01Å; Y88-F119 HydrophobicContact CG-CE2 4.35Å; Y88-F119 AromaticContact CG-CZ 3.7Å; Y88-F119 HydrophobicContact CG-CZ 3.7Å; Y88-I120 PolarHBondContact N-O 3.45Å; Y88-L121 HydrophobicContact CD1-CD1 3.51Å; Y88-L121 HydrophobicContact CE1-CD1 4.26Å; Y88-L121 HydrophobicContact CG-CD1 4.36Å; Y88-V122 PolarHBondContact O-N 2.73Å |
| 89 | V | 93.7 | Very high | 91.3 | Very high | 86 Ų | 86 | 43.4 Ų | 43.4 | 52% | 0.521 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 121.3 | -177.1 | -172.8 | 0 | 0 | 0 | 0 | 110.1 | I87 N124 | I87-V89 HydrophobicContact CG2-CG2 3.83Å; V89-N124 HydrophobicContact CG1-CB 3.72Å |
| 90 | M | 93 | Very high | 91.3 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 142.4 | 176.5 | 176.4 | 168.2 | -60.6 | 0 | 0 | 111 | Y88 T92 S95 F101 N104 M105 L121 V122 L123 N124 | Y88-M90 HydrophobicContact CE1-CE 4.05Å; M90-T92 PolarHBondContact O-N 3.15Å; M90-S95 WeakPolarHBondContact CG-OG 3.25Å; M90-S95 PolarHBondContact SD-OG 2.93Å; M90-F101 HydrophobicContact SD-CD2 4.02Å; M90-F101 HydrophobicContact SD-CE2 4.18Å; M90-N104 HydrophobicContact CE-CB 3.23Å; M90-N104 HydrophobicContact SD-CB 4.35Å; M90-M105 HydrophobicContact CE-CE 2.98Å; M90-M105 HydrophobicContact SD-CE 3.84Å; M90-L121 HydrophobicContact CB-CD1 4.4Å; M90-L121 HydrophobicContact CE-CD1 4.28Å; M90-V122 PolarHBondContact N-O 3.35Å; M90-L123 HydrophobicContact CB-CD2 4.09Å; M90-L123 HydrophobicContact CG-CD2 3.97Å; M90-L123 HydrophobicContact SD-CD2 3.63Å; M90-N124 WeakPolarHBondContact O-CB 3.49Å; M90-N124 PolarHBondContact O-N 3.15Å |
| 91 | D | 92.9 | Very high | 91.5 | Very high | 32 Ų | 32 | 43.1 Ų | 43.1 | 17% | 0.171 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 103 | 176 | -165.3 | 2.8 | 0 | 0 | 0 | 110.4 | P93 R94 S95 K125 | D91-P93 WeakPolarHBondContact OD1-CD 3.26Å; D91-R94 HydrophobicContact CB-CB 4.32Å; D91-R94 HydrophobicContact CB-CG 4.23Å; D91-R94 PolarHBondContact O-N 3.44Å; D91-R94 VanDerWaalsContact O-N 3.12Å; D91-R94 WeakPolarHBondContact OD2-CD 3.37Å; D91-R94 IonicContact OD2-CZ 2.64Å; D91-R94 IonicContact OD2-NE 2.75Å; D91-R94 PolarHBondContact OD2-NE 3.28Å; D91-R94 IonicContact OD2-NH2 3.98Å; D91-S95 PolarHBondContact O-N 3.46Å; D91-S95 PolarHBondContact O-OG 3.31Å; D91-K125 WeakPolarHBondContact OD1-CD 3.47Å; D91-K125 WeakPolarHBondContact OD1-CE 3.48Å; D91-K125 IonicContact OD1-NZ 3.13Å; D91-K125 PolarHBondContact OD1-NZ 2.8Å; D91-K125 IonicContact OD2-NZ 2.81Å; D91-K125 PolarHBondContact OD2-NZ 3.39Å |
| 92 | T | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.4 | -46.8 | -175.6 | -56.7 | 0 | 0 | 0 | 0 | 113 | M90 R94 S95 H96 L123 N124 I129 C131 F133 | M90-T92 PolarHBondContact O-N 3.15Å; T92-R94 VanDerWaalsContact C-N 3.29Å; T92-R94 PolarHBondContact O-N 2.97Å; T92-S95 CarbonylContact O-C 3.44Å; T92-S95 PolarHBondContact O-N 3.46Å; T92-S95 VanDerWaalsContact O-N 3.11Å; T92-H96 PolarHBondContact O-N 2.95Å; T92-H96 VanDerWaalsContact O-N 3.16Å; T92-L123 WeakPolarHBondContact OG1-CB 3.38Å; T92-N124 VanDerWaalsContact CB-O 3.27Å; T92-N124 WeakPolarHBondContact CB-O 3.46Å; T92-N124 PolarHBondContact N-O 3.22Å; T92-N124 PolarHBondContact OG1-O 2.72Å; T92-I129 HydrophobicContact CG2-CB 4.38Å; T92-I129 WeakPolarHBondContact CG2-O 3.44Å; T92-C131 HydrophobicContact CG2-CB 4.49Å; T92-F133 HydrophobicContact CG2-CE1 3.57Å; T92-F133 HydrophobicContact CG2-CZ 3.75Å |
| 93 | P | 92.6 | Very high | 91.6 | Very high | 37 Ų | 37 | 41.7 Ų | 41.7 | 24% | 0.24 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.2 | -35.6 | 175.3 | -29.8 | 34.1 | 0 | 0 | 0 | 116 | D91 K125 I128 I129 | D91-P93 WeakPolarHBondContact OD1-CD 3.26Å; P93-K125 HydrophobicContact CG-CB 4.22Å; P93-I128 HydrophobicContact CG-CB 3.89Å; P93-I128 HydrophobicContact CG-CD1 4.2Å; P93-I128 HydrophobicContact CG-CG2 3.95Å; P93-I129 HydrophobicContact CB-CD1 4.26Å; P93-I129 HydrophobicContact CB-CG1 4.43Å; P93-I129 HydrophobicContact CG-CG1 4.32Å |
| 94 | R | 89.3 | Confident | 91.6 | Very high | 177 Ų | 177 | 40.9 Ų | 40.9 | 67% | 0.668 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -80 | -33.1 | 178.2 | -62 | -173.2 | -154.3 | -153 | -0.3 | 111.6 | D91 T92 H96 T100 | D91-R94 HydrophobicContact CB-CB 4.32Å; D91-R94 HydrophobicContact CB-CG 4.23Å; D91-R94 PolarHBondContact O-N 3.44Å; D91-R94 VanDerWaalsContact O-N 3.12Å; D91-R94 WeakPolarHBondContact OD2-CD 3.37Å; D91-R94 IonicContact OD2-CZ 2.64Å; D91-R94 IonicContact OD2-NE 2.75Å; D91-R94 PolarHBondContact OD2-NE 3.28Å; D91-R94 IonicContact OD2-NH2 3.98Å; T92-R94 VanDerWaalsContact C-N 3.29Å; T92-R94 PolarHBondContact O-N 2.97Å; R94-H96 PolarHBondContact O-N 3Å; R94-T100 WeakPolarHBondContact O-CG2 3.46Å |
| 95 | S | 91.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -78 | 2.1 | 178 | -68 | 0 | 0 | 0 | 0 | 113.9 | M90 D91 T92 N97 F101 N104 F133 | M90-S95 WeakPolarHBondContact CG-OG 3.25Å; M90-S95 PolarHBondContact SD-OG 2.93Å; D91-S95 PolarHBondContact O-N 3.46Å; D91-S95 PolarHBondContact O-OG 3.31Å; T92-S95 CarbonylContact O-C 3.44Å; T92-S95 PolarHBondContact O-N 3.46Å; T92-S95 VanDerWaalsContact O-N 3.11Å; S95-N97 PolarHBondContact O-N 3.06Å; S95-F101 WeakPolarHBondContact O-CB 3.19Å; S95-N104 PolarHBondContact OG-ND2 3.2Å; S95-F133 WeakPolarHBondContact O-CE2 3.47Å |
| 96 | H | 88.5 | Confident | 91.5 | Very high | 87 Ų | 87 | 41.5 Ų | 41.5 | 40% | 0.403 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18.4 | 171.3 | -171.1 | -79.6 | 0 | 0 | 0 | 112.9 | T92 R94 P98 I129 F133 W137 | T92-H96 PolarHBondContact O-N 2.95Å; T92-H96 VanDerWaalsContact O-N 3.16Å; R94-H96 PolarHBondContact O-N 3Å; H96-P98 WeakPolarHBondContact O-CD 3.44Å; H96-I129 HydrophobicContact CB-CD1 4.36Å; H96-F133 HydrophobicContact CB-CZ 4.19Å; H96-W137 WeakPolarHBondContact O-CH2 3.49Å |
| 97 | N | 88.3 | Confident | 91.4 | Very high | 60 Ų | 60 | 42.5 Ų | 42.5 | 32% | 0.321 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -81.9 | 121.7 | 168.3 | -179.4 | -30.2 | 0 | 0 | 0 | 109.5 | S95 I99 T100 F101 | S95-N97 PolarHBondContact O-N 3.06Å; N97-I99 PolarHBondContact O-N 3.38Å; N97-I99 VanDerWaalsContact O-N 3.16Å; N97-I99 WeakPolarHBondContact OD1-CB 3.4Å; N97-I99 PolarHBondContact OD1-N 3.01Å; N97-T100 WeakPolarHBondContact O-CB 3.35Å; N97-T100 PolarHBondContact O-N 2.92Å; N97-F101 PolarHBondContact O-N 3.4Å |
| 98 | P | 88.1 | Confident | 91.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -52.1 | -37.6 | 179.4 | -26.8 | 32.5 | 0 | 0 | 0 | 114.3 | H96 F101 M102 W137 F144 A147 L148 H151 | H96-P98 WeakPolarHBondContact O-CD 3.44Å; P98-F101 PolarHBondContact O-N 2.99Å; P98-M102 WeakPolarHBondContact O-CB 3.29Å; P98-M102 PolarHBondContact O-N 3.46Å; P98-W137 HydrophobicContact CB-CH2 4.25Å; P98-W137 HydrophobicContact CB-CZ3 4.34Å; P98-W137 HydrophobicContact CG-CH2 3.64Å; P98-W137 HydrophobicContact CG-CZ2 3.97Å; P98-W137 HydrophobicContact CG-CZ3 4.22Å; P98-F144 HydrophobicContact CB-CD2 4.44Å; P98-F144 HydrophobicContact CB-CE2 3.69Å; P98-F144 HydrophobicContact CB-CZ 4.16Å; P98-A147 HydrophobicContact CG-CB 4.07Å; P98-L148 HydrophobicContact CB-CD1 4.3Å; P98-H151 WeakPolarHBondContact CD-CE1 3.1Å; P98-H151 WeakPolarHBondContact CD-ND1 3.47Å |
| 99 | I | 88 | Confident | 91.3 | Very high | 27 Ų | 27 | 38.8 Ų | 38.8 | 14% | 0.138 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69 | -40.4 | 179.6 | -58.5 | 171.6 | 0 | 0 | 0 | 110.5 | N97 S103 L148 T170 M174 V178 | N97-I99 PolarHBondContact O-N 3.38Å; N97-I99 VanDerWaalsContact O-N 3.16Å; N97-I99 WeakPolarHBondContact OD1-CB 3.4Å; N97-I99 PolarHBondContact OD1-N 3.01Å; I99-S103 WeakPolarHBondContact O-CB 3.36Å; I99-S103 PolarHBondContact O-N 2.57Å; I99-S103 PolarHBondContact O-OG 3.4Å; I99-L148 HydrophobicContact CG1-CD1 3.94Å; I99-T170 HydrophobicContact CD1-CG2 3.59Å; I99-M174 HydrophobicContact CG2-CE 4.09Å; I99-V178 HydrophobicContact CG2-CG2 4.45Å |
| 100 | T | 90.2 | Very high | 91.2 | Very high | 50 Ų | 50 | 36.4 Ų | 36.4 | 31% | 0.307 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -70.2 | -41.7 | 177.7 | -58.7 | 0 | 0 | 0 | 0 | 110.6 | R94 N97 S103 N104 | R94-T100 WeakPolarHBondContact O-CG2 3.46Å; N97-T100 WeakPolarHBondContact O-CB 3.35Å; N97-T100 PolarHBondContact O-N 2.92Å; T100-S103 PolarHBondContact O-N 3.35Å; T100-N104 WeakPolarHBondContact O-CB 3.37Å; T100-N104 VanDerWaalsContact O-CG 3.22Å; T100-N104 PolarHBondContact O-N 3.36Å; T100-N104 PolarHBondContact O-ND2 3.3Å |
| 101 | F | 92 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.1 | -51.9 | 172.8 | 178.8 | -106 | 0 | 0 | 0 | 111.4 | M90 S95 N97 P98 S103 N104 M105 A134 W137 M138 F144 | M90-F101 HydrophobicContact SD-CD2 4.02Å; M90-F101 HydrophobicContact SD-CE2 4.18Å; S95-F101 WeakPolarHBondContact O-CB 3.19Å; N97-F101 PolarHBondContact O-N 3.4Å; P98-F101 PolarHBondContact O-N 2.99Å; F101-S103 PolarHBondContact O-N 3.26Å; F101-N104 PolarHBondContact O-N 3.27Å; F101-N104 VanDerWaalsContact O-N 3.16Å; F101-M105 HydrophobicContact CD1-CG 4.15Å; F101-M105 HydrophobicContact CD2-CG 4.35Å; F101-M105 HydrophobicContact CE1-CG 3.7Å; F101-M105 HydrophobicContact CE2-CE 4.11Å; F101-M105 HydrophobicContact CE2-CG 3.92Å; F101-M105 HydrophobicContact CE2-SD 4.14Å; F101-M105 HydrophobicContact CG-CG 4.45Å; F101-M105 HydrophobicContact CZ-CE 4.45Å; F101-M105 HydrophobicContact CZ-CG 3.57Å; F101-M105 HydrophobicContact CZ-SD 3.89Å; F101-M105 WeakPolarHBondContact O-CG 3.17Å; F101-M105 PolarHBondContact O-N 2.93Å; F101-A134 HydrophobicContact CD2-CB 4.33Å; F101-A134 HydrophobicContact CE2-CB 3.78Å; F101-A134 HydrophobicContact CZ-CB 4.32Å; F101-W137 HydrophobicContact CB-CE3 4.15Å; F101-W137 HydrophobicContact CB-CZ3 3.91Å; F101-W137 AromaticContact CD1-CE3 3.69Å; F101-W137 HydrophobicContact CD1-CE3 3.69Å; F101-W137 HydrophobicContact CD1-CZ3 4.33Å; F101-W137 HydrophobicContact CD2-CE3 4.48Å; F101-W137 HydrophobicContact CE1-CB 4.18Å; F101-W137 HydrophobicContact CE1-CE3 4.23Å; F101-W137 AromaticContact CG-CE3 3.84Å; F101-W137 HydrophobicContact CG-CE3 3.84Å; F101-W137 HydrophobicContact CG-CZ3 4.08Å; F101-M138 HydrophobicContact CE1-CG 4.23Å; F101-M138 HydrophobicContact CZ-CG 3.67Å; F101-M138 HydrophobicContact CZ-SD 4.15Å; F101-F144 HydrophobicContact CD1-CE2 4.24Å |
| 102 | M | 90.5 | Very high | 91 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.4 | -44.3 | -179.3 | -172 | 59 | 61.6 | 0 | 0 | 112.2 | P98 N104 M105 L106 F144 V178 M181 L185 | P98-M102 WeakPolarHBondContact O-CB 3.29Å; P98-M102 PolarHBondContact O-N 3.46Å; M102-N104 VanDerWaalsContact C-N 3.3Å; M102-N104 PolarHBondContact O-N 2.97Å; M102-M105 PolarHBondContact O-N 3.16Å; M102-L106 PolarHBondContact O-N 3.48Å; M102-F144 HydrophobicContact CB-CZ 4.21Å; M102-F144 HydrophobicContact CE-CD1 4.04Å; M102-F144 HydrophobicContact CE-CD2 4.49Å; M102-F144 HydrophobicContact CE-CE1 3.3Å; M102-F144 HydrophobicContact CE-CE2 3.81Å; M102-F144 HydrophobicContact CE-CZ 3.16Å; M102-V178 HydrophobicContact CB-CG1 4.29Å; M102-V178 HydrophobicContact CG-CG1 4.09Å; M102-V178 HydrophobicContact CG-CG2 4.49Å; M102-M181 HydrophobicContact CG-CB 4.17Å; M102-M181 HydrophobicContact CG-CE 3.8Å; M102-M181 HydrophobicContact SD-CB 4.17Å; M102-L185 HydrophobicContact SD-CD1 3.32Å; M102-L185 WeakPolarHBondContact SD-CD1 3.38Å |
| 103 | S | 90.4 | Very high | 90.8 | Very high | 57 Ų | 57 | 43.6 Ų | 43.6 | 40% | 0.399 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.4 | -42.2 | 177.2 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | I99 T100 F101 Y107 | I99-S103 WeakPolarHBondContact O-CB 3.36Å; I99-S103 PolarHBondContact O-N 2.57Å; I99-S103 PolarHBondContact O-OG 3.4Å; T100-S103 PolarHBondContact O-N 3.35Å; F101-S103 PolarHBondContact O-N 3.26Å; S103-Y107 PolarHBondContact O-N 2.91Å; S103-Y107 VanDerWaalsContact O-N 3.11Å |
| 104 | N | 92.3 | Very high | 90.7 | Very high | 47 Ų | 47 | 46.2 Ų | 46.2 | 25% | 0.251 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -70.3 | -32.9 | 177.4 | -67.7 | -28.3 | 0 | 0 | 0 | 112.7 | M90 S95 T100 F101 M102 Y107 A108 | M90-N104 HydrophobicContact CE-CB 3.23Å; M90-N104 HydrophobicContact SD-CB 4.35Å; S95-N104 PolarHBondContact OG-ND2 3.2Å; T100-N104 WeakPolarHBondContact O-CB 3.37Å; T100-N104 VanDerWaalsContact O-CG 3.22Å; T100-N104 PolarHBondContact O-N 3.36Å; T100-N104 PolarHBondContact O-ND2 3.3Å; F101-N104 PolarHBondContact O-N 3.27Å; F101-N104 VanDerWaalsContact O-N 3.16Å; M102-N104 VanDerWaalsContact C-N 3.3Å; M102-N104 PolarHBondContact O-N 2.97Å; N104-Y107 PolarHBondContact O-N 3.46Å; N104-A108 WeakPolarHBondContact O-CB 3.46Å; N104-A108 PolarHBondContact O-N 3.01Å |
| 105 | M | 92.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.2 | -43.1 | 175 | -74 | -62.8 | 99.6 | 0 | 0 | 112.2 | M90 F101 M102 Y107 A108 C109 L121 M138 L185 F188 Y189 L192 | M90-M105 HydrophobicContact CE-CE 2.98Å; M90-M105 HydrophobicContact SD-CE 3.84Å; F101-M105 HydrophobicContact CD1-CG 4.15Å; F101-M105 HydrophobicContact CD2-CG 4.35Å; F101-M105 HydrophobicContact CE1-CG 3.7Å; F101-M105 HydrophobicContact CE2-CE 4.11Å; F101-M105 HydrophobicContact CE2-CG 3.92Å; F101-M105 HydrophobicContact CE2-SD 4.14Å; F101-M105 HydrophobicContact CG-CG 4.45Å; F101-M105 HydrophobicContact CZ-CE 4.45Å; F101-M105 HydrophobicContact CZ-CG 3.57Å; F101-M105 HydrophobicContact CZ-SD 3.89Å; F101-M105 WeakPolarHBondContact O-CG 3.17Å; F101-M105 PolarHBondContact O-N 2.93Å; M102-M105 PolarHBondContact O-N 3.16Å; M105-Y107 VanDerWaalsContact C-N 3.28Å; M105-Y107 PolarHBondContact O-N 3.46Å; M105-A108 HydrophobicContact CE-CB 4.49Å; M105-A108 WeakPolarHBondContact O-CB 3.43Å; M105-A108 PolarHBondContact O-N 2.83Å; M105-C109 WeakPolarHBondContact O-CB 3.45Å; M105-C109 PolarHBondContact O-N 3.03Å; M105-L121 HydrophobicContact CE-CD1 3.74Å; M105-L121 HydrophobicContact CE-CD2 3.43Å; M105-L121 VanDerWaalsContact CE-CD2 3.43Å; M105-L121 HydrophobicContact CE-CG 4.25Å; M105-L121 HydrophobicContact SD-CD2 3.88Å; M105-M138 HydrophobicContact SD-SD 4.18Å; M105-L185 HydrophobicContact CB-CD1 4.13Å; M105-F188 HydrophobicContact SD-CE1 4.32Å; M105-Y189 HydrophobicContact CB-CE1 4.11Å; M105-Y189 WeakPolarHBondContact CB-OH 3.22Å; M105-Y189 HydrophobicContact CG-CE1 3.82Å; M105-Y189 WeakPolarHBondContact CG-OH 3.42Å; M105-Y189 HydrophobicContact SD-CE1 3.62Å; M105-L192 HydrophobicContact SD-CD2 4.42Å |
| 106 | L | 91.6 | Very high | 90.4 | Very high | 79 Ų | 79 | 44.8 Ų | 44.8 | 41% | 0.414 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.8 | -42.8 | 173.3 | -175.4 | 69.1 | 0 | 0 | 0 | 111.1 | M102 C109 S110 M181 L185 | M102-L106 PolarHBondContact O-N 3.48Å; L106-C109 WeakPolarHBondContact O-CB 3.38Å; L106-C109 PolarHBondContact O-N 3.22Å; L106-S110 PolarHBondContact O-N 2.53Å; L106-M181 HydrophobicContact CD2-SD 3.74Å; L106-L185 HydrophobicContact CB-CD1 4.49Å |
| 107 | Y | 92.4 | Very high | 90.5 | Very high | 52 Ų | 52 | 41.1 Ų | 41.1 | 20% | 0.204 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.5 | -44 | 176.2 | -167.1 | -86.5 | 0 | 0 | 0 | 111.8 | I62 Y88 S103 N104 M105 C109 S110 V111 | I62-Y107 HydrophobicContact CD1-CE1 3.66Å; I62-Y107 HydrophobicContact CG1-CE1 3.91Å; I62-Y107 HydrophobicContact CG2-CE1 4.22Å; I62-Y107 WeakPolarHBondContact CG2-OH 3.11Å; Y88-Y107 AromaticContact CE2-CD1 3.72Å; Y88-Y107 HydrophobicContact CE2-CD1 3.72Å; Y88-Y107 HydrophobicContact CE2-CE1 4.13Å; Y88-Y107 AromaticContact CZ-CD1 3.95Å; Y88-Y107 WeakPolarHBondContact OH-CD1 3.48Å; S103-Y107 PolarHBondContact O-N 2.91Å; S103-Y107 VanDerWaalsContact O-N 3.11Å; N104-Y107 PolarHBondContact O-N 3.46Å; M105-Y107 VanDerWaalsContact C-N 3.28Å; M105-Y107 PolarHBondContact O-N 3.46Å; Y107-C109 VanDerWaalsContact C-N 3.31Å; Y107-C109 PolarHBondContact O-N 2.91Å; Y107-S110 WeakPolarHBondContact O-CB 3.33Å; Y107-S110 PolarHBondContact O-N 3.21Å; Y107-S110 VanDerWaalsContact O-N 3.11Å; Y107-S110 PolarHBondContact O-OG 3.4Å; Y107-V111 HydrophobicContact CD1-CG2 4Å; Y107-V111 HydrophobicContact CE1-CG2 3.71Å; Y107-V111 WeakPolarHBondContact O-CG2 3.39Å; Y107-V111 PolarHBondContact O-N 2.8Å; Y107-V111 VanDerWaalsContact O-N 3.07Å |
| 108 | A | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.4 | -44.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y88 N104 M105 S110 V111 L112 F119 F188 | Y88-A108 HydrophobicContact CD1-CB 3.96Å; Y88-A108 HydrophobicContact CD2-CB 4.36Å; Y88-A108 HydrophobicContact CE1-CB 3.89Å; Y88-A108 HydrophobicContact CE2-CB 4.33Å; Y88-A108 HydrophobicContact CG-CB 4.18Å; N104-A108 WeakPolarHBondContact O-CB 3.46Å; N104-A108 PolarHBondContact O-N 3.01Å; M105-A108 HydrophobicContact CE-CB 4.49Å; M105-A108 WeakPolarHBondContact O-CB 3.43Å; M105-A108 PolarHBondContact O-N 2.83Å; A108-S110 VanDerWaalsContact C-N 3.33Å; A108-S110 PolarHBondContact O-N 3.12Å; A108-V111 PolarHBondContact O-N 3.48Å; A108-L112 PolarHBondContact O-N 3.17Å; A108-F119 HydrophobicContact CB-CE1 4.19Å; A108-F119 HydrophobicContact CB-CZ 3.86Å; A108-F119 WeakPolarHBondContact O-CZ 3.38Å; A108-F188 HydrophobicContact CB-CZ 4.11Å |
| 109 | C | 92.1 | Very high | 91 | Very high | 17 Ų | 17 | 38.8 Ų | 38.8 | 12% | 0.115 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.3 | -43.9 | 174 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | M105 L106 Y107 V111 L112 Y113 L185 F188 | M105-C109 WeakPolarHBondContact O-CB 3.45Å; M105-C109 PolarHBondContact O-N 3.03Å; L106-C109 WeakPolarHBondContact O-CB 3.38Å; L106-C109 PolarHBondContact O-N 3.22Å; Y107-C109 VanDerWaalsContact C-N 3.31Å; Y107-C109 PolarHBondContact O-N 2.91Å; C109-V111 VanDerWaalsContact C-N 3.32Å; C109-V111 PolarHBondContact O-N 3.46Å; C109-L112 PolarHBondContact O-N 2.89Å; C109-Y113 WeakPolarHBondContact O-CD2 3.39Å; C109-Y113 PolarHBondContact O-N 3.13Å; C109-Y113 VanDerWaalsContact O-N 3.14Å; C109-Y113 VanDerWaalsContact SG-CE2 3.52Å; C109-L185 HydrophobicContact CB-CD2 3.75Å; C109-F188 HydrophobicContact CB-CD1 4.1Å; C109-F188 HydrophobicContact CB-CD2 3.88Å; C109-F188 HydrophobicContact CB-CE1 4.07Å; C109-F188 HydrophobicContact CB-CE2 3.85Å; C109-F188 HydrophobicContact CB-CG 4Å; C109-F188 HydrophobicContact CB-CZ 3.94Å |
| 110 | S | 91.4 | Very high | 91.4 | Very high | 36 Ų | 36 | 37.5 Ų | 37.5 | 25% | 0.252 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.1 | -40.2 | 176.2 | 80.8 | 0 | 0 | 0 | 0 | 112.8 | L106 Y107 A108 K114 | L106-S110 PolarHBondContact O-N 2.53Å; Y107-S110 WeakPolarHBondContact O-CB 3.33Å; Y107-S110 PolarHBondContact O-N 3.21Å; Y107-S110 VanDerWaalsContact O-N 3.11Å; Y107-S110 PolarHBondContact O-OG 3.4Å; A108-S110 VanDerWaalsContact C-N 3.33Å; A108-S110 PolarHBondContact O-N 3.12Å; S110-K114 WeakPolarHBondContact O-CB 3.32Å; S110-K114 PolarHBondContact O-N 3.36Å |
| 111 | V | 91.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.024 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.7 | -42.6 | 178.6 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | I62 T66 I86 Y88 Y107 A108 C109 Y113 K114 M115 F119 | I62-V111 HydrophobicContact CD1-CG2 4.41Å; T66-V111 HydrophobicContact CG2-CG2 4.11Å; I86-V111 HydrophobicContact CG2-CG1 4.3Å; Y88-V111 HydrophobicContact CE2-CG2 4.44Å; Y107-V111 HydrophobicContact CD1-CG2 4Å; Y107-V111 HydrophobicContact CE1-CG2 3.71Å; Y107-V111 WeakPolarHBondContact O-CG2 3.39Å; Y107-V111 PolarHBondContact O-N 2.8Å; Y107-V111 VanDerWaalsContact O-N 3.07Å; A108-V111 PolarHBondContact O-N 3.48Å; C109-V111 VanDerWaalsContact C-N 3.32Å; C109-V111 PolarHBondContact O-N 3.46Å; V111-Y113 PolarHBondContact O-N 3Å; V111-K114 PolarHBondContact O-N 3.07Å; V111-M115 HydrophobicContact CG1-CG 3.98Å; V111-M115 WeakPolarHBondContact O-CB 3.2Å; V111-M115 WeakPolarHBondContact O-CG 3.34Å; V111-M115 PolarHBondContact O-N 3.04Å; V111-F119 HydrophobicContact CB-CE2 4.13Å; V111-F119 HydrophobicContact CG1-CE2 3.96Å |
| 112 | L | 91.7 | Very high | 91.8 | Very high | 36 Ų | 36 | 35.5 Ų | 35.5 | 19% | 0.188 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -54.6 | -55.1 | 176.4 | 167 | 63.9 | 0 | 0 | 0 | 110.9 | A108 C109 K114 M115 Q116 F119 F188 | A108-L112 PolarHBondContact O-N 3.17Å; C109-L112 PolarHBondContact O-N 2.89Å; L112-K114 VanDerWaalsContact C-N 3.31Å; L112-K114 PolarHBondContact O-N 2.97Å; L112-M115 PolarHBondContact O-N 3.24Å; L112-Q116 PolarHBondContact O-N 3.48Å; L112-F119 HydrophobicContact CB-CB 4.45Å; L112-F119 HydrophobicContact CB-CD2 4.09Å; L112-F119 HydrophobicContact CB-CE2 4.43Å; L112-F119 HydrophobicContact CB-CG 4.13Å; L112-F119 HydrophobicContact CD1-CB 3.52Å; L112-F119 HydrophobicContact CD1-CG 4.13Å; L112-F119 HydrophobicContact CG-CB 4.47Å; L112-F188 HydrophobicContact CB-CE2 4.25Å; L112-F188 HydrophobicContact CD2-CD2 3.73Å; L112-F188 HydrophobicContact CD2-CE2 3.53Å |
| 113 | Y | 89.6 | Confident | 92.1 | Very high | 147 Ų | 147 | 35.4 Ų | 35.4 | 58% | 0.576 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -66.9 | -33.2 | -177.7 | -78.4 | -65.8 | 0 | 0 | 0 | 112.9 | C109 V111 Q116 | C109-Y113 WeakPolarHBondContact O-CD2 3.39Å; C109-Y113 PolarHBondContact O-N 3.13Å; C109-Y113 VanDerWaalsContact O-N 3.14Å; C109-Y113 VanDerWaalsContact SG-CE2 3.52Å; V111-Y113 PolarHBondContact O-N 3Å; Y113-Q116 WeakPolarHBondContact O-CG 3.37Å |
| 114 | K | 88.8 | Confident | 92.2 | Very high | 93 Ų | 93 | 34 Ų | 34 | 40% | 0.404 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -69.2 | -43.7 | 177.4 | -178.8 | 62.3 | 175.8 | -179.4 | 0 | 112.5 | T66 S110 V111 L112 | T66-K114 HydrophobicContact CG2-CB 4.33Å; T66-K114 HydrophobicContact CG2-CG 3.96Å; T66-K114 VanDerWaalsContact O-CE 3.29Å; T66-K114 WeakPolarHBondContact O-CE 3.48Å; S110-K114 WeakPolarHBondContact O-CB 3.32Å; S110-K114 PolarHBondContact O-N 3.36Å; V111-K114 PolarHBondContact O-N 3.07Å; L112-K114 VanDerWaalsContact C-N 3.31Å; L112-K114 PolarHBondContact O-N 2.97Å |
| 115 | M | 87.4 | Confident | 92.4 | Very high | 19 Ų | 19 | 35 Ų | 35 | 9% | 0.094 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -85.6 | -27.6 | -173 | -64.2 | -61.3 | -175.5 | 0 | 0 | 113.2 | F65 T66 T75 I86 V111 L112 L117 | F65-M115 HydrophobicContact CD1-CE 3.68Å; F65-M115 HydrophobicContact CE1-CE 3.8Å; T66-M115 HydrophobicContact CG2-CE 4.27Å; T75-M115 HydrophobicContact CG2-CB 4.48Å; T75-M115 HydrophobicContact CG2-SD 3.78Å; I86-M115 HydrophobicContact CG1-CB 4.19Å; I86-M115 HydrophobicContact CG1-CG 4.41Å; V111-M115 HydrophobicContact CG1-CG 3.98Å; V111-M115 WeakPolarHBondContact O-CB 3.2Å; V111-M115 WeakPolarHBondContact O-CG 3.34Å; V111-M115 PolarHBondContact O-N 3.04Å; L112-M115 PolarHBondContact O-N 3.24Å; M115-L117 PolarHBondContact O-N 3.38Å |
| 116 | Q | 87 | Confident | 92.4 | Very high | 128 Ų | 128 | 35.8 Ų | 35.8 | 60% | 0.598 | 17% | 0.169 | S | C | * | . | trans | 53.6 | 34.4 | 180 | -56 | -172.8 | -32.1 | 0 | 0 | 113.4 | L112 Y113 N223 | L112-Q116 PolarHBondContact O-N 3.48Å; Y113-Q116 WeakPolarHBondContact O-CG 3.37Å; Q116-N223 PolarHBondContact O-ND2 3.03Å | ||
| 117 | L | 91.6 | Very high | 92.4 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 5% | 0.052 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -117.8 | 157.4 | 176.7 | -72.5 | -179.3 | 0 | 0 | 0 | 109.4 | T75 T84 I86 M115 F119 Y219 N223 | T75-L117 HydrophobicContact CG2-CD1 3.34Å; T75-L117 HydrophobicContact CG2-CG 4.26Å; T84-L117 HydrophobicContact CG2-CD1 3.72Å; I86-L117 HydrophobicContact CD1-CD1 4.12Å; I86-L117 HydrophobicContact CG1-CB 3.98Å; I86-L117 HydrophobicContact CG1-CD1 4.17Å; M115-L117 PolarHBondContact O-N 3.38Å; L117-F119 PolarHBondContact O-N 2.93Å; L117-Y219 HydrophobicContact CD2-CE2 4.47Å; L117-N223 WeakPolarHBondContact CA-ND2 3.42Å |
| 118 | P | 93.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | trans | -52.4 | 133.7 | 172.3 | -17.7 | 27.1 | 0 | 0 | 0 | 109.8 | T84 L85 I86 A215 Y219 | T84-P118 WeakPolarHBondContact O-CD 3.34Å; L85-P118 CarbonylContact C-O 3.55Å; L85-P118 WeakPolarHBondContact CA-O 3.46Å; L85-P118 HydrophobicContact CB-CB 4.14Å; I86-P118 PolarHBondContact N-O 2.93Å; P118-A215 HydrophobicContact CB-CB 4.03Å; P118-A215 WeakPolarHBondContact CG-O 3.31Å; P118-Y219 HydrophobicContact CG-CD2 4.45Å | ||
| 119 | F | 94.2 | Very high | 92.3 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 4% | 0.044 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 128.9 | -169.1 | -172.9 | -89.4 | 0 | 0 | 0 | 109.9 | I86 Y88 A108 V111 L112 L117 F188 L192 | I86-F119 HydrophobicContact CB-CD2 3.98Å; I86-F119 HydrophobicContact CG2-CD2 3.78Å; I86-F119 HydrophobicContact CG2-CE2 3.92Å; I86-F119 WeakPolarHBondContact O-CA 3.2Å; Y88-F119 HydrophobicContact CD2-CE2 4.36Å; Y88-F119 HydrophobicContact CD2-CZ 4.01Å; Y88-F119 HydrophobicContact CG-CE2 4.35Å; Y88-F119 AromaticContact CG-CZ 3.7Å; Y88-F119 HydrophobicContact CG-CZ 3.7Å; A108-F119 HydrophobicContact CB-CE1 4.19Å; A108-F119 HydrophobicContact CB-CZ 3.86Å; A108-F119 WeakPolarHBondContact O-CZ 3.38Å; V111-F119 HydrophobicContact CB-CE2 4.13Å; V111-F119 HydrophobicContact CG1-CE2 3.96Å; L112-F119 HydrophobicContact CB-CB 4.45Å; L112-F119 HydrophobicContact CB-CD2 4.09Å; L112-F119 HydrophobicContact CB-CE2 4.43Å; L112-F119 HydrophobicContact CB-CG 4.13Å; L112-F119 HydrophobicContact CD1-CB 3.52Å; L112-F119 HydrophobicContact CD1-CG 4.13Å; L112-F119 HydrophobicContact CG-CB 4.47Å; L117-F119 PolarHBondContact O-N 2.93Å; F119-F188 HydrophobicContact CE1-CZ 4.47Å; F119-L192 HydrophobicContact CD1-CD1 3.56Å; F119-L192 HydrophobicContact CE1-CD1 3.78Å |
| 120 | I | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 123.1 | 177.2 | -57.8 | 175.3 | 0 | 0 | 0 | 108 | L85 I86 I87 Y88 V122 R193 F208 E211 I212 A215 | L85-I120 HydrophobicContact CD1-CD1 4.42Å; L85-I120 HydrophobicContact CD2-CD1 4.43Å; I86-I120 PolarHBondContact O-N 3.43Å; I87-I120 WeakPolarHBondContact CA-O 3.41Å; Y88-I120 PolarHBondContact N-O 3.45Å; I120-V122 HydrophobicContact CG2-CG2 4.2Å; I120-R193 HydrophobicContact CG1-CB 4.39Å; I120-F208 HydrophobicContact CG2-CD2 4.46Å; I120-F208 HydrophobicContact CG2-CE2 4.3Å; I120-E211 HydrophobicContact CD1-CB 4.35Å; I120-I212 HydrophobicContact CD1-CG1 3.93Å; I120-A215 HydrophobicContact CD1-CB 3.83Å; I120-A215 HydrophobicContact CG1-CB 4.17Å |
| 121 | L | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 124.7 | 168.9 | -177.7 | 70.2 | 0 | 0 | 0 | 109.8 | Y88 M90 M105 M138 L192 R193 C194 C195 | Y88-L121 HydrophobicContact CD1-CD1 3.51Å; Y88-L121 HydrophobicContact CE1-CD1 4.26Å; Y88-L121 HydrophobicContact CG-CD1 4.36Å; M90-L121 HydrophobicContact CB-CD1 4.4Å; M90-L121 HydrophobicContact CE-CD1 4.28Å; M105-L121 HydrophobicContact CE-CD1 3.74Å; M105-L121 HydrophobicContact CE-CD2 3.43Å; M105-L121 VanDerWaalsContact CE-CD2 3.43Å; M105-L121 HydrophobicContact CE-CG 4.25Å; M105-L121 HydrophobicContact SD-CD2 3.88Å; L121-M138 HydrophobicContact CD2-SD 4.11Å; L121-L192 HydrophobicContact CB-CD1 4.11Å; L121-L192 HydrophobicContact CB-CD2 4.14Å; L121-L192 HydrophobicContact CB-CG 4.2Å; L121-L192 HydrophobicContact CD2-CD2 3.83Å; L121-R193 PolarHBondContact N-O 3.17Å; L121-C194 HydrophobicContact CB-CB 4.3Å; L121-C194 HydrophobicContact CD2-CB 4.38Å; L121-C194 WeakPolarHBondContact O-CA 3.12Å; L121-C195 PolarHBondContact O-N 2.89Å |
| 122 | V | 95.5 | Very high | 92.3 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 115 | 175.7 | 175.1 | 0 | 0 | 0 | 0 | 109.5 | I87 Y88 M90 I120 N124 C195 I197 F208 | I87-V122 HydrophobicContact CG2-CB 4.23Å; I87-V122 HydrophobicContact CG2-CG2 3.54Å; Y88-V122 PolarHBondContact O-N 2.73Å; M90-V122 PolarHBondContact N-O 3.35Å; I120-V122 HydrophobicContact CG2-CG2 4.2Å; V122-N124 PolarHBondContact O-N 3.25Å; V122-C195 WeakPolarHBondContact CA-O 3.38Å; V122-I197 HydrophobicContact CG1-CB 4.17Å; V122-I197 HydrophobicContact CG1-CD1 3.56Å; V122-I197 HydrophobicContact CG1-CG1 3.96Å; V122-I197 HydrophobicContact CG2-CD1 4.17Å; V122-F208 HydrophobicContact CG2-CD2 3.94Å; V122-F208 HydrophobicContact CG2-CE2 3.52Å; V122-F208 HydrophobicContact CG2-CZ 4.27Å |
| 123 | L | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 97.8 | 171.7 | -67 | 170.3 | 0 | 0 | 0 | 108.6 | M90 T92 C131 A134 I135 C194 C195 G196 I197 | M90-L123 HydrophobicContact CB-CD2 4.09Å; M90-L123 HydrophobicContact CG-CD2 3.97Å; M90-L123 HydrophobicContact SD-CD2 3.63Å; T92-L123 WeakPolarHBondContact OG1-CB 3.38Å; L123-C131 HydrophobicContact CB-CB 3.94Å; L123-C131 HydrophobicContact CD1-CB 3.78Å; L123-A134 HydrophobicContact CD1-CB 3.74Å; L123-A134 HydrophobicContact CD2-CB 4.26Å; L123-I135 HydrophobicContact CD1-CG1 4.36Å; L123-C194 VanDerWaalsContact CD1-SG 3.58Å; L123-C195 PolarHBondContact N-O 3.24Å; L123-G196 WeakPolarHBondContact O-CA 3.46Å; L123-I197 PolarHBondContact O-N 3.46Å |
| 124 | N | 94.5 | Very high | 92.4 | Very high | 27 Ų | 27 | 39.3 Ų | 39.3 | 14% | 0.144 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 158.6 | -174.9 | -165.1 | 19.2 | 0 | 0 | 0 | 112.5 | V89 M90 T92 V122 I197 S199 | V89-N124 HydrophobicContact CG1-CB 3.72Å; M90-N124 WeakPolarHBondContact O-CB 3.49Å; M90-N124 PolarHBondContact O-N 3.15Å; T92-N124 VanDerWaalsContact CB-O 3.27Å; T92-N124 WeakPolarHBondContact CB-O 3.46Å; T92-N124 PolarHBondContact N-O 3.22Å; T92-N124 PolarHBondContact OG1-O 2.72Å; V122-N124 PolarHBondContact O-N 3.25Å; N124-I197 CarbonylContact C-O 3.43Å; N124-I197 VanDerWaalsContact CA-O 3.24Å; N124-I197 WeakPolarHBondContact CA-O 3.22Å; N124-I197 PolarHBondContact OD1-O 3.4Å; N124-S199 VanDerWaalsContact CG-OG 3.29Å; N124-S199 PolarHBondContact ND2-OG 3.4Å; N124-S199 VanDerWaalsContact ND2-OG 3.14Å; N124-S199 PolarHBondContact OD1-N 2.64Å; N124-S199 PolarHBondContact OD1-OG 3.08Å |
| 125 | K | 95 | Very high | 92.4 | Very high | 69 Ų | 69 | 36.3 Ų | 36.3 | 30% | 0.3 | 18% | 0.184 | S | C | . | . | trans | 69.1 | 41.2 | -179.2 | -47 | -172.1 | -162.4 | 155.1 | 0 | 113.9 | D91 P93 D127 I128 I129 I197 | D91-K125 WeakPolarHBondContact OD1-CD 3.47Å; D91-K125 WeakPolarHBondContact OD1-CE 3.48Å; D91-K125 IonicContact OD1-NZ 3.13Å; D91-K125 PolarHBondContact OD1-NZ 2.8Å; D91-K125 IonicContact OD2-NZ 2.81Å; D91-K125 PolarHBondContact OD2-NZ 3.39Å; P93-K125 HydrophobicContact CG-CB 4.22Å; K125-D127 VanDerWaalsContact CA-OD1 3.3Å; K125-D127 WeakPolarHBondContact CA-OD1 3.47Å; K125-D127 PolarHBondContact O-N 2.88Å; K125-D127 VanDerWaalsContact O-N 3.16Å; K125-I128 HydrophobicContact CB-CD1 4.24Å; K125-I128 HydrophobicContact CB-CG1 4.44Å; K125-I128 HydrophobicContact CD-CD1 4.06Å; K125-I128 PolarHBondContact O-N 3.16Å; K125-I128 VanDerWaalsContact O-N 3.08Å; K125-I129 PolarHBondContact O-N 3.34Å; K125-I197 PolarHBondContact N-O 3.05Å | ||
| 126 | T | 92.4 | Very high | 92.6 | Very high | 16 Ų | 16 | 40.5 Ų | 40.5 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -16.6 | 173.2 | 57.6 | 0 | 0 | 0 | 0 | 113.5 | I128 I129 C131 I197 S198 | T126-I128 PolarHBondContact O-N 2.97Å; T126-I129 VanDerWaalsContact CA-O 3.32Å; T126-I129 WeakPolarHBondContact CA-O 3.17Å; T126-C131 HydrophobicContact CG2-CB 3.92Å; T126-I197 PolarHBondContact N-O 3.31Å; T126-I197 VanDerWaalsContact OG1-C 3.24Å; T126-I197 PolarHBondContact OG1-O 2.89Å; T126-S198 WeakPolarHBondContact OG1-CB 3.27Å; T126-S198 PolarHBondContact OG1-N 2.92Å; T126-S198 VanDerWaalsContact OG1-N 3.17Å |
| 127 | D | 92.4 | Very high | 92.7 | Very high | 72 Ų | 72 | 35.5 Ų | 35.5 | 39% | 0.385 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -22.4 | 172.9 | 57 | -71.5 | 0 | 0 | 0 | 113.8 | K125 S198 I200 T201 | K125-D127 VanDerWaalsContact CA-OD1 3.3Å; K125-D127 WeakPolarHBondContact CA-OD1 3.47Å; K125-D127 PolarHBondContact O-N 2.88Å; K125-D127 VanDerWaalsContact O-N 3.16Å; D127-S198 WeakPolarHBondContact CB-OG 3.19Å; D127-S198 VanDerWaalsContact CG-OG 3.23Å; D127-S198 WeakPolarHBondContact OD1-CB 3.5Å; D127-S198 PolarHBondContact OD1-OG 3.37Å; D127-I200 HydrophobicContact CB-CG2 4.45Å; D127-T201 HydrophobicContact CB-CG2 3.88Å |
| 128 | I | 92.7 | Very high | 92.6 | Very high | 108 Ų | 108 | 35.9 Ų | 35.9 | 55% | 0.554 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -51.5 | 179.1 | -54.7 | 178.8 | 0 | 0 | 0 | 110.4 | P93 K125 T126 | P93-I128 HydrophobicContact CG-CB 3.89Å; P93-I128 HydrophobicContact CG-CD1 4.2Å; P93-I128 HydrophobicContact CG-CG2 3.95Å; K125-I128 HydrophobicContact CB-CD1 4.24Å; K125-I128 HydrophobicContact CB-CG1 4.44Å; K125-I128 HydrophobicContact CD-CD1 4.06Å; K125-I128 PolarHBondContact O-N 3.16Å; K125-I128 VanDerWaalsContact O-N 3.08Å; T126-I128 PolarHBondContact O-N 2.97Å |
| 129 | I | 91.1 | Very high | 92.3 | Very high | 55 Ų | 55 | 45.7 Ų | 45.7 | 28% | 0.282 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -136.6 | 130.5 | 176.9 | -53.7 | -167.5 | 0 | 0 | 0 | 107.7 | T92 P93 H96 K125 T126 F133 | T92-I129 HydrophobicContact CG2-CB 4.38Å; T92-I129 WeakPolarHBondContact CG2-O 3.44Å; P93-I129 HydrophobicContact CB-CD1 4.26Å; P93-I129 HydrophobicContact CB-CG1 4.43Å; P93-I129 HydrophobicContact CG-CG1 4.32Å; H96-I129 HydrophobicContact CB-CD1 4.36Å; K125-I129 PolarHBondContact O-N 3.34Å; T126-I129 VanDerWaalsContact CA-O 3.32Å; T126-I129 WeakPolarHBondContact CA-O 3.17Å; I129-F133 HydrophobicContact CG2-CD1 4.25Å; I129-F133 HydrophobicContact CG2-CE1 3.74Å |
| 130 | D | 91.5 | Very high | 91.9 | Very high | 87 Ų | 87 | 48.4 Ų | 48.4 | 47% | 0.465 | 23% | 0.233 | S | C | . | . | trans | -62 | 146.9 | 176.6 | -166.8 | 5.6 | 0 | 0 | 0 | 111.9 | D132 F133 | D130-D132 VanDerWaalsContact C-N 3.33Å; D130-F133 WeakPolarHBondContact O-CD1 3.48Å; D130-F133 WeakPolarHBondContact O-CE1 3.34Å | ||
| 131 | C | 90.7 | Very high | 91.4 | Very high | 11 Ų | 11 | 51.6 Ų | 51.6 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -83.8 | -5.5 | -177.1 | 66.2 | 0 | 0 | 0 | 0 | 114.4 | T92 L123 T126 F133 A134 I135 | T92-C131 HydrophobicContact CG2-CB 4.49Å; L123-C131 HydrophobicContact CB-CB 3.94Å; L123-C131 HydrophobicContact CD1-CB 3.78Å; T126-C131 HydrophobicContact CG2-CB 3.92Å; C131-F133 VanDerWaalsContact C-N 3.28Å; C131-F133 PolarHBondContact O-N 3.08Å; C131-A134 WeakPolarHBondContact O-CB 3.39Å; C131-A134 PolarHBondContact O-N 2.91Å; C131-I135 PolarHBondContact O-N 3.12Å |
| 132 | D | 91.8 | Very high | 91 | Very high | 84 Ų | 84 | 58.4 Ų | 58.4 | 45% | 0.449 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -55.7 | -38.6 | -175 | -86.5 | -0.8 | 0 | 0 | 0 | 113.4 | D130 A134 I135 Q136 | D130-D132 VanDerWaalsContact C-N 3.33Å; D132-A134 VanDerWaalsContact C-N 3.31Å; D132-A134 PolarHBondContact O-N 3.25Å; D132-I135 PolarHBondContact O-N 2.89Å; D132-Q136 WeakPolarHBondContact O-CB 3.43Å; D132-Q136 VanDerWaalsContact O-CG 3.28Å; D132-Q136 WeakPolarHBondContact O-CG 3.44Å; D132-Q136 PolarHBondContact O-N 2.85Å |
| 133 | F | 92 | Very high | 90.6 | Very high | 29 Ų | 29 | 60 Ų | 60 | 13% | 0.127 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.8 | -40.5 | 177.7 | 73 | -92 | 0 | 0 | 0 | 111.9 | T92 S95 H96 I129 D130 C131 Q136 W137 | T92-F133 HydrophobicContact CG2-CE1 3.57Å; T92-F133 HydrophobicContact CG2-CZ 3.75Å; S95-F133 WeakPolarHBondContact O-CE2 3.47Å; H96-F133 HydrophobicContact CB-CZ 4.19Å; I129-F133 HydrophobicContact CG2-CD1 4.25Å; I129-F133 HydrophobicContact CG2-CE1 3.74Å; D130-F133 WeakPolarHBondContact O-CD1 3.48Å; D130-F133 WeakPolarHBondContact O-CE1 3.34Å; C131-F133 VanDerWaalsContact C-N 3.28Å; C131-F133 PolarHBondContact O-N 3.08Å; F133-Q136 PolarHBondContact O-N 3.49Å; F133-W137 HydrophobicContact CD2-CD2 4.16Å; F133-W137 AromaticContact CD2-CE3 3.89Å; F133-W137 HydrophobicContact CD2-CE3 3.89Å; F133-W137 AromaticContact CD2-CH2 3.65Å; F133-W137 HydrophobicContact CD2-CH2 3.65Å; F133-W137 AromaticContact CD2-CZ2 3.92Å; F133-W137 HydrophobicContact CD2-CZ2 3.92Å; F133-W137 AromaticContact CD2-CZ3 3.64Å; F133-W137 HydrophobicContact CD2-CZ3 3.64Å; F133-W137 HydrophobicContact CE2-CE3 4.21Å; F133-W137 AromaticContact CE2-CH2 3.99Å; F133-W137 HydrophobicContact CE2-CH2 3.99Å; F133-W137 AromaticContact CE2-CZ3 3.72Å; F133-W137 HydrophobicContact CE2-CZ3 3.72Å; F133-W137 PolarHBondContact O-N 2.89Å |
| 134 | A | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.9 | -37.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F101 L123 C131 D132 Q136 W137 M138 | F101-A134 HydrophobicContact CD2-CB 4.33Å; F101-A134 HydrophobicContact CE2-CB 3.78Å; F101-A134 HydrophobicContact CZ-CB 4.32Å; L123-A134 HydrophobicContact CD1-CB 3.74Å; L123-A134 HydrophobicContact CD2-CB 4.26Å; C131-A134 WeakPolarHBondContact O-CB 3.39Å; C131-A134 PolarHBondContact O-N 2.91Å; D132-A134 VanDerWaalsContact C-N 3.31Å; D132-A134 PolarHBondContact O-N 3.25Å; A134-Q136 VanDerWaalsContact C-N 3.35Å; A134-W137 PolarHBondContact O-N 3.34Å; A134-M138 WeakPolarHBondContact O-CE 3.33Å; A134-M138 WeakPolarHBondContact O-CG 3.49Å; A134-M138 PolarHBondContact O-N 3.12Å; A134-M138 VanDerWaalsContact O-N 3.12Å |
| 135 | I | 89.8 | Confident | 89.8 | Confident | 29 Ų | 29 | 60.8 Ų | 60.8 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 174.7 | -62.5 | 172.6 | 0 | 0 | 0 | 110.7 | L123 C131 D132 M138 R139 | L123-I135 HydrophobicContact CD1-CG1 4.36Å; C131-I135 PolarHBondContact O-N 3.12Å; D132-I135 PolarHBondContact O-N 2.89Å; I135-M138 HydrophobicContact CB-CE 4.49Å; I135-M138 HydrophobicContact CG1-CE 4.21Å; I135-M138 PolarHBondContact O-N 2.92Å; I135-R139 WeakPolarHBondContact O-CG 3.47Å; I135-R139 PolarHBondContact O-N 3.47Å |
| 136 | Q | 90.5 | Very high | 89.4 | Confident | 107 Ų | 107 | 63 Ų | 63 | 50% | 0.5 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.4 | -48.4 | 174.5 | -73.4 | 172.9 | 9.2 | 0 | 0 | 111 | D132 F133 A134 M138 R139 D140 | D132-Q136 WeakPolarHBondContact O-CB 3.43Å; D132-Q136 VanDerWaalsContact O-CG 3.28Å; D132-Q136 WeakPolarHBondContact O-CG 3.44Å; D132-Q136 PolarHBondContact O-N 2.85Å; F133-Q136 PolarHBondContact O-N 3.49Å; A134-Q136 VanDerWaalsContact C-N 3.35Å; Q136-M138 VanDerWaalsContact C-N 3.26Å; Q136-M138 PolarHBondContact O-N 2.81Å; Q136-R139 PolarHBondContact O-N 3.18Å; Q136-D140 PolarHBondContact O-N 3.41Å |
| 137 | W | 90.6 | Very high | 89.2 | Confident | 23 Ų | 23 | 63.3 Ų | 63.3 | 9% | 0.087 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.9 | -30.9 | 178.6 | -67.6 | -10.7 | 0 | 0 | 0 | 114.6 | H96 P98 F101 F133 A134 F144 A147 | H96-W137 WeakPolarHBondContact O-CH2 3.49Å; P98-W137 HydrophobicContact CB-CH2 4.25Å; P98-W137 HydrophobicContact CB-CZ3 4.34Å; P98-W137 HydrophobicContact CG-CH2 3.64Å; P98-W137 HydrophobicContact CG-CZ2 3.97Å; P98-W137 HydrophobicContact CG-CZ3 4.22Å; F101-W137 HydrophobicContact CB-CE3 4.15Å; F101-W137 HydrophobicContact CB-CZ3 3.91Å; F101-W137 AromaticContact CD1-CE3 3.69Å; F101-W137 HydrophobicContact CD1-CE3 3.69Å; F101-W137 HydrophobicContact CD1-CZ3 4.33Å; F101-W137 HydrophobicContact CD2-CE3 4.48Å; F101-W137 HydrophobicContact CE1-CB 4.18Å; F101-W137 HydrophobicContact CE1-CE3 4.23Å; F101-W137 AromaticContact CG-CE3 3.84Å; F101-W137 HydrophobicContact CG-CE3 3.84Å; F101-W137 HydrophobicContact CG-CZ3 4.08Å; F133-W137 HydrophobicContact CD2-CD2 4.16Å; F133-W137 AromaticContact CD2-CE3 3.89Å; F133-W137 HydrophobicContact CD2-CE3 3.89Å; F133-W137 AromaticContact CD2-CH2 3.65Å; F133-W137 HydrophobicContact CD2-CH2 3.65Å; F133-W137 AromaticContact CD2-CZ2 3.92Å; F133-W137 HydrophobicContact CD2-CZ2 3.92Å; F133-W137 AromaticContact CD2-CZ3 3.64Å; F133-W137 HydrophobicContact CD2-CZ3 3.64Å; F133-W137 HydrophobicContact CE2-CE3 4.21Å; F133-W137 AromaticContact CE2-CH2 3.99Å; F133-W137 HydrophobicContact CE2-CH2 3.99Å; F133-W137 AromaticContact CE2-CZ3 3.72Å; F133-W137 HydrophobicContact CE2-CZ3 3.72Å; F133-W137 PolarHBondContact O-N 2.89Å; A134-W137 PolarHBondContact O-N 3.34Å; W137-F144 HydrophobicContact CB-CB 4.04Å; W137-F144 HydrophobicContact CB-CD2 3.87Å; W137-F144 HydrophobicContact CB-CG 4.39Å; W137-F144 AromaticContact CD2-CD2 3.91Å; W137-F144 HydrophobicContact CD2-CD2 3.91Å; W137-F144 HydrophobicContact CE3-CD2 4.13Å; W137-F144 HydrophobicContact CE3-CE2 4.4Å; W137-F144 HydrophobicContact CG-CB 4.14Å; W137-F144 AromaticContact CG-CD2 3.81Å; W137-F144 HydrophobicContact CG-CD2 3.81Å; W137-F144 HydrophobicContact CG-CG 4.48Å; W137-A147 HydrophobicContact CZ2-CB 3.56Å |
| 138 | M | 88.2 | Confident | 88.8 | Confident | 19 Ų | 19 | 60.3 Ų | 60.3 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -76.5 | -27.5 | 175.9 | -70.5 | -176.8 | -66.8 | 0 | 0 | 113.3 | F101 M105 L121 A134 I135 Q136 Y189 L192 C194 | F101-M138 HydrophobicContact CE1-CG 4.23Å; F101-M138 HydrophobicContact CZ-CG 3.67Å; F101-M138 HydrophobicContact CZ-SD 4.15Å; M105-M138 HydrophobicContact SD-SD 4.18Å; L121-M138 HydrophobicContact CD2-SD 4.11Å; A134-M138 WeakPolarHBondContact O-CE 3.33Å; A134-M138 WeakPolarHBondContact O-CG 3.49Å; A134-M138 PolarHBondContact O-N 3.12Å; A134-M138 VanDerWaalsContact O-N 3.12Å; I135-M138 HydrophobicContact CB-CE 4.49Å; I135-M138 HydrophobicContact CG1-CE 4.21Å; I135-M138 PolarHBondContact O-N 2.92Å; Q136-M138 VanDerWaalsContact C-N 3.26Å; Q136-M138 PolarHBondContact O-N 2.81Å; M138-Y189 HydrophobicContact CB-CD1 4.11Å; M138-Y189 HydrophobicContact CB-CD2 4.18Å; M138-Y189 HydrophobicContact CB-CG 3.93Å; M138-Y189 HydrophobicContact CG-CD1 3.72Å; M138-Y189 HydrophobicContact CG-CD2 4.36Å; M138-Y189 HydrophobicContact CG-CE1 3.79Å; M138-Y189 HydrophobicContact CG-CE2 4.4Å; M138-Y189 HydrophobicContact CG-CG 4.04Å; M138-Y189 WeakPolarHBondContact O-CD2 3.43Å; M138-Y189 HydrophobicContact SD-CD1 3.99Å; M138-Y189 HydrophobicContact SD-CE1 4.2Å; M138-L192 HydrophobicContact SD-CD2 4.1Å; M138-C194 HydrophobicContact CE-CB 4.06Å |
| 139 | R | 87.1 | Confident | 88.2 | Confident | 207 Ų | 207 | 57.5 Ų | 57.5 | 78% | 0.781 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -100.3 | -25.8 | -174.3 | -68.7 | 179.6 | 175.9 | -177.1 | -1.8 | 113.3 | I135 Q136 | I135-R139 WeakPolarHBondContact O-CG 3.47Å; I135-R139 PolarHBondContact O-N 3.47Å; Q136-R139 PolarHBondContact O-N 3.18Å |
| 140 | D | 87 | Confident | 87.5 | Confident | 67 Ų | 67 | 56.6 Ų | 56.6 | 36% | 0.358 | 29% | 0.291 | S | S | . | . | trans | -129.1 | 100.3 | -176.8 | -173 | -19.9 | 0 | 0 | 0 | 109.3 | Q136 E142 T143 F144 | Q136-D140 PolarHBondContact O-N 3.41Å; D140-E142 VanDerWaalsContact C-N 3.26Å; D140-E142 PolarHBondContact O-N 2.85Å; D140-E142 WeakPolarHBondContact OD1-CB 3.44Å; D140-E142 PolarHBondContact OD1-N 2.91Å; D140-T143 HydrophobicContact CB-CG2 3.94Å; D140-T143 VanDerWaalsContact CG-CG2 3.47Å; D140-T143 PolarHBondContact O-N 3.37Å; D140-T143 PolarHBondContact O-OG1 3.49Å; D140-T143 PolarHBondContact OD1-N 3.41Å; D140-T143 VanDerWaalsContact OD2-CG2 3.28Å; D140-T143 WeakPolarHBondContact OD2-CG2 3.33Å; D140-F144 PolarHBondContact O-N 3.02Å | ||
| 141 | F | 84.4 | Confident | 86.3 | Confident | 67 Ų | 67 | 55.5 Ų | 55.5 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.3 | -36.6 | 177.7 | 179.2 | -95.2 | 0 | 0 | 0 | 112.7 | F144 Q145 H179 S182 L183 | F141-F144 PolarHBondContact O-N 3.32Å; F141-Q145 HydrophobicContact CD1-CG 3.86Å; F141-Q145 HydrophobicContact CE1-CG 3.48Å; F141-Q145 VanDerWaalsContact CE1-CG 3.48Å; F141-Q145 HydrophobicContact CZ-CG 3.88Å; F141-Q145 WeakPolarHBondContact O-CG 3.28Å; F141-Q145 PolarHBondContact O-N 3.04Å; F141-H179 AromaticContact CZ-CE1 3.68Å; F141-H179 AromaticContact CZ-ND1 3.97Å; F141-S182 WeakPolarHBondContact CE2-OG 3.31Å; F141-L183 HydrophobicContact CE2-CD2 3.8Å; F141-L183 HydrophobicContact CE2-CG 4.32Å; F141-L183 HydrophobicContact CZ-CD2 3.76Å; F141-L183 HydrophobicContact CZ-CG 4.37Å |
| 142 | E | 86.2 | Confident | 84.7 | Confident | 142 Ų | 142 | 57.4 Ų | 57.4 | 66% | 0.664 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.3 | -43 | -178.5 | -63 | -175.4 | 173.4 | 0 | 0 | 110.4 | D140 F144 Q145 D146 | D140-E142 VanDerWaalsContact C-N 3.26Å; D140-E142 PolarHBondContact O-N 2.85Å; D140-E142 WeakPolarHBondContact OD1-CB 3.44Å; D140-E142 PolarHBondContact OD1-N 2.91Å; E142-F144 PolarHBondContact O-N 3Å; E142-Q145 PolarHBondContact O-N 3.37Å; E142-Q145 VanDerWaalsContact O-N 3.12Å; E142-D146 PolarHBondContact O-N 3.32Å |
| 143 | T | 87.4 | Confident | 82.7 | Confident | 42 Ų | 42 | 61.3 Ų | 61.3 | 26% | 0.258 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.5 | -34.1 | 176.3 | 66.1 | 0 | 0 | 0 | 0 | 112.8 | D140 A147 | D140-T143 HydrophobicContact CB-CG2 3.94Å; D140-T143 VanDerWaalsContact CG-CG2 3.47Å; D140-T143 PolarHBondContact O-N 3.37Å; D140-T143 PolarHBondContact O-OG1 3.49Å; D140-T143 PolarHBondContact OD1-N 3.41Å; D140-T143 VanDerWaalsContact OD2-CG2 3.28Å; D140-T143 WeakPolarHBondContact OD2-CG2 3.33Å; T143-A147 WeakPolarHBondContact O-CB 3.45Å; T143-A147 PolarHBondContact O-N 3.31Å |
| 144 | F | 87.4 | Confident | 80.6 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 1% | 0.013 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.8 | -43.4 | 174.7 | 177.4 | -100.2 | 0 | 0 | 0 | 111.8 | P98 F101 M102 W137 D140 F141 E142 D146 A147 L148 V178 | P98-F144 HydrophobicContact CB-CD2 4.44Å; P98-F144 HydrophobicContact CB-CE2 3.69Å; P98-F144 HydrophobicContact CB-CZ 4.16Å; F101-F144 HydrophobicContact CD1-CE2 4.24Å; M102-F144 HydrophobicContact CB-CZ 4.21Å; M102-F144 HydrophobicContact CE-CD1 4.04Å; M102-F144 HydrophobicContact CE-CD2 4.49Å; M102-F144 HydrophobicContact CE-CE1 3.3Å; M102-F144 HydrophobicContact CE-CE2 3.81Å; M102-F144 HydrophobicContact CE-CZ 3.16Å; W137-F144 HydrophobicContact CB-CB 4.04Å; W137-F144 HydrophobicContact CB-CD2 3.87Å; W137-F144 HydrophobicContact CB-CG 4.39Å; W137-F144 AromaticContact CD2-CD2 3.91Å; W137-F144 HydrophobicContact CD2-CD2 3.91Å; W137-F144 HydrophobicContact CE3-CD2 4.13Å; W137-F144 HydrophobicContact CE3-CE2 4.4Å; W137-F144 HydrophobicContact CG-CB 4.14Å; W137-F144 AromaticContact CG-CD2 3.81Å; W137-F144 HydrophobicContact CG-CD2 3.81Å; W137-F144 HydrophobicContact CG-CG 4.48Å; D140-F144 PolarHBondContact O-N 3.02Å; F141-F144 PolarHBondContact O-N 3.32Å; E142-F144 PolarHBondContact O-N 3Å; F144-D146 VanDerWaalsContact C-N 3.33Å; F144-D146 PolarHBondContact O-N 2.63Å; F144-A147 PolarHBondContact O-N 2.93Å; F144-L148 WeakPolarHBondContact O-CB 3.47Å; F144-L148 PolarHBondContact O-N 2.9Å; F144-V178 HydrophobicContact CE1-CG1 3.74Å; F144-V178 HydrophobicContact CZ-CG1 3.67Å |
| 145 | Q | 85.9 | Confident | 78.3 | Confident | 40 Ų | 40 | 67.2 Ų | 67.2 | 19% | 0.187 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62 | -41.6 | 176.1 | -65.1 | -57.9 | -47.9 | 0 | 0 | 111.4 | F141 E142 L148 A149 H179 S182 | F141-Q145 HydrophobicContact CD1-CG 3.86Å; F141-Q145 HydrophobicContact CE1-CG 3.48Å; F141-Q145 VanDerWaalsContact CE1-CG 3.48Å; F141-Q145 HydrophobicContact CZ-CG 3.88Å; F141-Q145 WeakPolarHBondContact O-CG 3.28Å; F141-Q145 PolarHBondContact O-N 3.04Å; E142-Q145 PolarHBondContact O-N 3.37Å; E142-Q145 VanDerWaalsContact O-N 3.12Å; Q145-L148 WeakPolarHBondContact O-CB 3.3Å; Q145-L148 PolarHBondContact O-N 3.36Å; Q145-A149 WeakPolarHBondContact O-CB 3.48Å; Q145-A149 PolarHBondContact O-N 3.36Å; Q145-H179 PolarHBondContact NE2-ND1 3.19Å; Q145-H179 PolarHBondContact OE1-ND1 3.07Å; Q145-S182 PolarHBondContact NE2-OG 3.33Å |
| 146 | D | 87.7 | Confident | 75.8 | Confident | 115 Ų | 115 | 73.9 Ų | 73.9 | 62% | 0.615 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.9 | -41.7 | 176 | -75.9 | -12.6 | 0 | 0 | 0 | 111.7 | E142 F144 L148 A149 G150 | E142-D146 PolarHBondContact O-N 3.32Å; F144-D146 VanDerWaalsContact C-N 3.33Å; F144-D146 PolarHBondContact O-N 2.63Å; D146-L148 VanDerWaalsContact C-N 3.35Å; D146-A149 PolarHBondContact O-N 3.3Å; D146-G150 PolarHBondContact O-N 3.3Å |
| 147 | A | 86.3 | Confident | 73 | Confident | 22 Ų | 22 | 70.2 Ų | 70.2 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66 | -38.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P98 W137 T143 F144 H151 | P98-A147 HydrophobicContact CG-CB 4.07Å; W137-A147 HydrophobicContact CZ2-CB 3.56Å; T143-A147 WeakPolarHBondContact O-CB 3.45Å; T143-A147 PolarHBondContact O-N 3.31Å; F144-A147 PolarHBondContact O-N 2.93Å; A147-H151 PolarHBondContact O-N 3.08Å; A147-H151 PolarHBondContact O-ND1 3.39Å |
| 148 | L | 84.5 | Confident | 70.4 | Confident | 9 Ų | 9 | 75.4 Ų | 75.4 | 5% | 0.047 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.7 | -51.3 | 172.7 | -175.2 | 64.1 | 0 | 0 | 0 | 109.5 | P98 I99 F144 Q145 D146 G150 H151 H152 V178 | P98-L148 HydrophobicContact CB-CD1 4.3Å; I99-L148 HydrophobicContact CG1-CD1 3.94Å; F144-L148 WeakPolarHBondContact O-CB 3.47Å; F144-L148 PolarHBondContact O-N 2.9Å; Q145-L148 WeakPolarHBondContact O-CB 3.3Å; Q145-L148 PolarHBondContact O-N 3.36Å; D146-L148 VanDerWaalsContact C-N 3.35Å; L148-G150 PolarHBondContact O-N 3.32Å; L148-H151 PolarHBondContact O-N 3.06Å; L148-H152 PolarHBondContact O-CD2 3.32Å; L148-V178 HydrophobicContact CD1-CG1 4.15Å; L148-V178 HydrophobicContact CD2-CB 4.26Å; L148-V178 HydrophobicContact CD2-CG1 3.69Å |
| 149 | A | 81.3 | Confident | 68 | Low | 49 Ų | 49 | 80.4 Ų | 80.4 | 41% | 0.405 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59 | -40.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q145 D146 H151 H152 | Q145-A149 WeakPolarHBondContact O-CB 3.48Å; Q145-A149 PolarHBondContact O-N 3.36Å; D146-A149 PolarHBondContact O-N 3.3Å; A149-H151 PolarHBondContact O-N 3.1Å; A149-H152 VanDerWaalsContact CA-CD2 3.44Å; A149-H152 WeakPolarHBondContact CA-CD2 3.36Å; A149-H152 VanDerWaalsContact O-CB 3.27Å; A149-H152 WeakPolarHBondContact O-CB 3.46Å; A149-H152 PolarHBondContact O-CD2 3.25Å; A149-H152 VanDerWaalsContact O-CD2 3.3Å; A149-H152 PolarHBondContact O-N 3.2Å; A149-H152 VanDerWaalsContact O-N 3.14Å |
| 150 | G | 75.1 | Confident | 65.5 | Low | 36 Ų | 36 | 79 Ų | 79 | 37% | 0.371 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.3 | -32.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D146 L148 H152 Q153 | D146-G150 PolarHBondContact O-N 3.3Å; L148-G150 PolarHBondContact O-N 3.32Å; G150-H152 PolarHBondContact O-N 2.77Å; G150-Q153 PolarHBondContact O-N 3.49Å; G150-Q153 VanDerWaalsContact O-N 3.14Å |
| 151 | H | 66.6 | Low | 63.2 | Low | 64 Ų | 64 | 84 Ų | 84 | 30% | 0.296 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.9 | -17.9 | 173 | -85.2 | 74 | 0 | 0 | 0 | 112.9 | P98 A147 L148 A149 Q153 | P98-H151 WeakPolarHBondContact CD-CE1 3.1Å; P98-H151 WeakPolarHBondContact CD-ND1 3.47Å; A147-H151 PolarHBondContact O-N 3.08Å; A147-H151 PolarHBondContact O-ND1 3.39Å; L148-H151 PolarHBondContact O-N 3.06Å; A149-H151 PolarHBondContact O-N 3.1Å; H151-Q153 VanDerWaalsContact C-N 3.33Å |
| 152 | H | 58.4 | Low | 60.9 | Low | 52 Ų | 52 | 90.6 Ų | 90.6 | 24% | 0.241 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -27.3 | 173.2 | -64.3 | -112.2 | 0 | 0 | 0 | 113.6 | L148 A149 G150 P166 C167 N175 | L148-H152 PolarHBondContact O-CD2 3.32Å; A149-H152 VanDerWaalsContact CA-CD2 3.44Å; A149-H152 WeakPolarHBondContact CA-CD2 3.36Å; A149-H152 VanDerWaalsContact O-CB 3.27Å; A149-H152 WeakPolarHBondContact O-CB 3.46Å; A149-H152 PolarHBondContact O-CD2 3.25Å; A149-H152 VanDerWaalsContact O-CD2 3.3Å; A149-H152 PolarHBondContact O-N 3.2Å; A149-H152 VanDerWaalsContact O-N 3.14Å; G150-H152 PolarHBondContact O-N 2.77Å; H152-P166 PolarHBondContact CE1-O 3.19Å; H152-P166 PolarHBondContact ND1-O 3.14Å; H152-C167 VanDerWaalsContact CA-SG 3.59Å; H152-C167 PolarHBondContact ND1-SG 3.3Å; H152-N175 VanDerWaalsContact CE1-CG 3.46Å; H152-N175 PolarHBondContact CE1-ND2 2.9Å |
| 153 | Q | 49.9 | Very low | 58.6 | Low | 166 Ų | 166 | 85.9 Ų | 85.9 | 78% | 0.776 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -21.2 | -172.4 | -63.9 | -177.9 | 18.5 | 0 | 0 | 113.7 | G150 H151 | G150-Q153 PolarHBondContact O-N 3.49Å; G150-Q153 VanDerWaalsContact O-N 3.14Å; H151-Q153 VanDerWaalsContact C-N 3.33Å |
| 154 | S | 46.6 | Very low | 56.5 | Low | 87 Ų | 87 | 91.8 Ų | 91.8 | 61% | 0.608 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -90.3 | -0.5 | -174.3 | 50.1 | 0 | 0 | 0 | 0 | 114.4 | D156 | S154-D156 PolarHBondContact O-N 3.44Š|
| 155 | T | 44.1 | Very low | 54.2 | Low | 66 Ų | 66 | 97 Ų | 97 | 41% | 0.405 | 56% | 0.557 | S | S | . | * | trans | -95.2 | 77.8 | 174.1 | -37.4 | 0 | 0 | 0 | 0 | 109.1 | G157 P168 | T155-G157 PolarHBondContact O-N 2.99Å; T155-P168 HydrophobicContact CG2-CG 4.27Å; T155-P168 WeakPolarHBondContact CG2-O 3.3Å; T155-P168 VanDerWaalsContact O-CG 3.29Å; T155-P168 WeakPolarHBondContact O-CG 3.45Å | ||
| 156 | D | 35.7 | Very low | 52.4 | Low | 168 Ų | 168 | 99 Ų | 99 | 90% | 0.898 | 57% | 0.573 | S | S | * | * | trans | -65.6 | 73.6 | 171 | -81.7 | -35.5 | 0 | 0 | 0 | 110.4 | S154 | S154-D156 PolarHBondContact O-N 3.44Š| ||
| 157 | G | 33.6 | Very low | 50.2 | Low | 31 Ų | 31 | 94.2 Ų | 94.2 | 32% | 0.32 | 55% | 0.549 | S | S | . | . | trans | -110.5 | 141.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | T155 S159 | T155-G157 PolarHBondContact O-N 2.99Å; G157-S159 PolarHBondContact O-N 2.82Å | ||
| 158 | P | 34.4 | Very low | 48.3 | Very low | 131 Ų | 131 | 96.5 Ų | 96.5 | 85% | 0.851 | 56% | 0.562 | S | S | * | * | trans | -62 | 121.6 | -166.8 | -14.9 | 26.8 | 0 | 0 | 0 | 112.3 | E160 | P158-E160 VanDerWaalsContact C-N 3.32Å; P158-E160 PolarHBondContact O-N 2.86Å | ||
| 159 | S | 37.6 | Very low | 46.8 | Very low | 124 Ų | 124 | 99.7 Ų | 99.7 | 87% | 0.867 | 60% | 0.597 | S | S | * | * | trans | -70.5 | 78.9 | 171 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | G157 | G157-S159 PolarHBondContact O-N 2.82Š| ||
| 160 | E | 34.7 | Very low | 45.4 | Very low | 178 Ų | 178 | 99 Ų | 99 | 83% | 0.832 | 59% | 0.588 | S | S | * | * | trans | -131.4 | 25.3 | 171.3 | -72.1 | -160.6 | 170.3 | 0 | 0 | 114.7 | P158 | P158-E160 VanDerWaalsContact C-N 3.32Å; P158-E160 PolarHBondContact O-N 2.86Å | ||
| 161 | L | 39.5 | Very low | 45.1 | Very low | 172 Ų | 172 | 100.3 Ų | 100.3 | 90% | 0.901 | 59% | 0.591 | S | S | * | * | trans | -122 | 93.8 | 166.3 | -87.6 | 152.4 | 0 | 0 | 0 | 109.4 | G163 | L161-G163 PolarHBondContact O-N 3.21Å; L161-G163 VanDerWaalsContact O-N 3.1Å | ||
| 162 | E | 35.3 | Very low | 45.3 | Very low | 206 Ų | 206 | 99.4 Ų | 99.4 | 96% | 0.963 | 59% | 0.591 | S | S | * | * | trans | -48.7 | 110.3 | 166.3 | -67.2 | -173.7 | 150.1 | 0 | 0 | 110 | ||||
| 163 | G | 38.9 | Very low | 46.3 | Very low | 43 Ų | 43 | 104.3 Ų | 104.3 | 44% | 0.443 | 61% | 0.608 | S | S | . | * | S | Bend | trans | 160.3 | 76.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L161 N165 | L161-G163 PolarHBondContact O-N 3.21Å; L161-G163 VanDerWaalsContact O-N 3.1Å; G163-N165 VanDerWaalsContact O-CB 3.28Å; G163-N165 WeakPolarHBondContact O-CB 3.24Å; G163-N165 PolarHBondContact O-N 2.84Å; G163-N165 PolarHBondContact O-ND2 2.87Å |
| 164 | D | 43.3 | Very low | 47.7 | Very low | 166 Ų | 166 | 99.4 Ų | 99.4 | 89% | 0.888 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 28.9 | 36.7 | 156.2 | -87 | -6.8 | 0 | 0 | 0 | 118 | P166 | D164-P166 WeakPolarHBondContact O-CD 3.35Š|
| 165 | N | 38.8 | Very low | 49.1 | Very low | 111 Ų | 111 | 96.3 Ų | 96.3 | 59% | 0.594 | 56% | 0.563 | S | S | * | * | trans | -113.2 | 90.9 | -178 | -85 | -54.1 | 0 | 0 | 0 | 108.3 | G163 C167 P172 | G163-N165 VanDerWaalsContact O-CB 3.28Å; G163-N165 WeakPolarHBondContact O-CB 3.24Å; G163-N165 PolarHBondContact O-N 2.84Å; G163-N165 PolarHBondContact O-ND2 2.87Å; N165-C167 PolarHBondContact O-N 2.89Å; N165-P172 WeakPolarHBondContact OD1-CD 3.27Å; N165-P172 WeakPolarHBondContact OD1-CG 3.32Å | ||
| 166 | P | 48.8 | Very low | 51.1 | Low | 82 Ų | 82 | 96.8 Ų | 96.8 | 53% | 0.532 | 57% | 0.569 | S | S | . | * | trans | -79.9 | 65.4 | 177 | 33.2 | -35.6 | 0 | 0 | 0 | 110.5 | H152 D164 | H152-P166 PolarHBondContact CE1-O 3.19Å; H152-P166 PolarHBondContact ND1-O 3.14Å; D164-P166 WeakPolarHBondContact O-CD 3.35Å | ||
| 167 | C | 41.3 | Very low | 53.4 | Low | 16 Ų | 16 | 91.6 Ų | 91.6 | 11% | 0.108 | 54% | 0.541 | C | S | . | . | trans | 176.6 | 121.4 | 148.7 | -127 | 0 | 0 | 0 | 0 | 111.6 | H152 N165 G169 T170 | H152-C167 VanDerWaalsContact CA-SG 3.59Å; H152-C167 PolarHBondContact ND1-SG 3.3Å; N165-C167 PolarHBondContact O-N 2.89Å; C167-G169 VanDerWaalsContact C-N 3.31Å; C167-G169 PolarHBondContact O-N 3.29Å; C167-T170 WeakPolarHBondContact CB-O 3.22Å | ||
| 168 | P | 46.9 | Very low | 55.9 | Low | 69 Ų | 69 | 90.1 Ų | 90.1 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -79.7 | 79.9 | 170.5 | 31.4 | -29.1 | 0 | 0 | 0 | 109.7 | T155 | T155-P168 HydrophobicContact CG2-CG 4.27Å; T155-P168 WeakPolarHBondContact CG2-O 3.3Å; T155-P168 VanDerWaalsContact O-CG 3.29Å; T155-P168 WeakPolarHBondContact O-CG 3.45Å |
| 169 | G | 51.9 | Low | 58.3 | Low | 77 Ų | 77 | 87.4 Ų | 87.4 | 79% | 0.794 | 50% | 0.502 | S | S | * | . | S | Bend | trans | 147.9 | -25.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | C167 | C167-G169 VanDerWaalsContact C-N 3.31Å; C167-G169 PolarHBondContact O-N 3.29Å |
| 170 | T | 52.9 | Low | 60.6 | Low | 34 Ų | 34 | 84.5 Ų | 84.5 | 21% | 0.209 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -121.2 | 116.8 | 176.1 | -57.4 | 0 | 0 | 0 | 0 | 108.8 | I99 C167 M174 | I99-T170 HydrophobicContact CD1-CG2 3.59Å; C167-T170 WeakPolarHBondContact CB-O 3.22Å; T170-M174 HydrophobicContact CG2-CB 3.59Å; T170-M174 HydrophobicContact CG2-CG 4.37Å |
| 171 | S | 68.6 | Low | 63.1 | Low | 63 Ų | 63 | 77.3 Ų | 77.3 | 44% | 0.441 | 45% | 0.448 | S | S | . | . | trans | -55.8 | 140.8 | 177.4 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | Y173 M174 N175 | S171-Y173 PolarHBondContact O-N 3.21Å; S171-Y173 WeakPolarHBondContact OG-CB 3.22Å; S171-Y173 PolarHBondContact OG-N 2.78Å; S171-M174 WeakPolarHBondContact O-CB 3.4Å; S171-M174 PolarHBondContact O-N 2.76Å; S171-N175 PolarHBondContact O-N 2.85Å | ||
| 172 | P | 70.4 | Confident | 65.2 | Low | 46 Ų | 46 | 69.3 Ų | 69.3 | 30% | 0.299 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -52.3 | -28.2 | 170.3 | 23.9 | -36.6 | 0 | 0 | 0 | 112.8 | N165 M174 N175 S176 | N165-P172 WeakPolarHBondContact OD1-CD 3.27Å; N165-P172 WeakPolarHBondContact OD1-CG 3.32Å; P172-M174 PolarHBondContact O-N 2.99Å; P172-N175 PolarHBondContact O-N 3.25Å; P172-S176 PolarHBondContact O-N 3.47Å; P172-S176 VanDerWaalsContact O-N 3.12Å |
| 173 | Y | 79.5 | Confident | 67.5 | Low | 154 Ų | 154 | 64.5 Ų | 64.5 | 60% | 0.604 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -57.5 | -44.8 | 171.6 | 176 | -99.2 | 0 | 0 | 0 | 112.5 | S171 N175 S176 L177 | S171-Y173 PolarHBondContact O-N 3.21Å; S171-Y173 WeakPolarHBondContact OG-CB 3.22Å; S171-Y173 PolarHBondContact OG-N 2.78Å; Y173-N175 VanDerWaalsContact C-N 3.27Å; Y173-N175 PolarHBondContact O-N 3.48Å; Y173-S176 PolarHBondContact O-N 3.4Å; Y173-L177 HydrophobicContact CE1-CD2 4.03Å; Y173-L177 VanDerWaalsContact O-CB 3.3Å; Y173-L177 WeakPolarHBondContact O-CB 3.47Å; Y173-L177 PolarHBondContact O-N 3.29Å |
| 174 | M | 79.1 | Confident | 69.7 | Low | 64 Ų | 64 | 67.7 Ų | 67.7 | 32% | 0.315 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.6 | -34.4 | 179.7 | -73.3 | -64.7 | -69 | 0 | 0 | 111.6 | I99 T170 S171 P172 L177 V178 | I99-M174 HydrophobicContact CG2-CE 4.09Å; T170-M174 HydrophobicContact CG2-CB 3.59Å; T170-M174 HydrophobicContact CG2-CG 4.37Å; S171-M174 WeakPolarHBondContact O-CB 3.4Å; S171-M174 PolarHBondContact O-N 2.76Å; P172-M174 PolarHBondContact O-N 2.99Å; M174-L177 PolarHBondContact O-N 3.23Å; M174-L177 HydrophobicContact SD-CD2 4.33Å; M174-V178 WeakPolarHBondContact O-CB 3.41Å; M174-V178 VanDerWaalsContact O-CG2 3.22Å; M174-V178 WeakPolarHBondContact O-CG2 3.34Å; M174-V178 PolarHBondContact O-N 2.88Å |
| 175 | N | 76.9 | Confident | 71.8 | Confident | 21 Ų | 21 | 59.9 Ų | 59.9 | 11% | 0.112 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.6 | -45.7 | 178.1 | -60 | -43.9 | 0 | 0 | 0 | 111.5 | H152 S171 P172 Y173 L177 V178 H179 | H152-N175 VanDerWaalsContact CE1-CG 3.46Å; H152-N175 PolarHBondContact CE1-ND2 2.9Å; S171-N175 PolarHBondContact O-N 2.85Å; P172-N175 PolarHBondContact O-N 3.25Å; Y173-N175 VanDerWaalsContact C-N 3.27Å; Y173-N175 PolarHBondContact O-N 3.48Å; N175-L177 VanDerWaalsContact C-N 3.25Å; N175-L177 PolarHBondContact O-N 3.4Å; N175-V178 PolarHBondContact O-N 3.37Å; N175-H179 WeakPolarHBondContact O-CB 3.19Å; N175-H179 PolarHBondContact O-N 3.11Å |
| 176 | S | 84.7 | Confident | 74 | Confident | 76 Ų | 76 | 58.8 Ų | 58.8 | 53% | 0.531 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.6 | -41 | 172.5 | -173.2 | 0 | 0 | 0 | 0 | 111.3 | P172 Y173 H179 S180 | P172-S176 PolarHBondContact O-N 3.47Å; P172-S176 VanDerWaalsContact O-N 3.12Å; Y173-S176 PolarHBondContact O-N 3.4Å; S176-H179 PolarHBondContact O-N 3.41Å; S176-S180 PolarHBondContact O-N 3.14Å; S176-S180 PolarHBondContact O-OG 3.4Å |
| 177 | L | 85.5 | Confident | 75.7 | Confident | 59 Ų | 59 | 61.7 Ų | 61.7 | 31% | 0.309 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.6 | -48 | 178.5 | -177.9 | 62.8 | 0 | 0 | 0 | 111.6 | Y173 M174 N175 H179 S180 M181 | Y173-L177 HydrophobicContact CE1-CD2 4.03Å; Y173-L177 VanDerWaalsContact O-CB 3.3Å; Y173-L177 WeakPolarHBondContact O-CB 3.47Å; Y173-L177 PolarHBondContact O-N 3.29Å; M174-L177 PolarHBondContact O-N 3.23Å; M174-L177 HydrophobicContact SD-CD2 4.33Å; N175-L177 VanDerWaalsContact C-N 3.25Å; N175-L177 PolarHBondContact O-N 3.4Å; L177-H179 VanDerWaalsContact C-N 3.29Å; L177-H179 PolarHBondContact O-N 3.11Å; L177-S180 PolarHBondContact O-N 2.98Å; L177-M181 HydrophobicContact CD1-CG 4.4Å; L177-M181 HydrophobicContact CD2-CE 4.5Å; L177-M181 HydrophobicContact CG-CE 3.98Å; L177-M181 HydrophobicContact CG-CG 4.47Å; L177-M181 HydrophobicContact CG-SD 4.21Å; L177-M181 WeakPolarHBondContact O-CB 3.44Å; L177-M181 VanDerWaalsContact O-CG 3.27Å; L177-M181 WeakPolarHBondContact O-CG 3.46Å; L177-M181 PolarHBondContact O-N 3.01Å |
| 178 | V | 85.7 | Confident | 77.9 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 176.8 | 167.6 | 0 | 0 | 0 | 0 | 111.1 | I99 M102 F144 L148 M174 N175 M181 S182 | I99-V178 HydrophobicContact CG2-CG2 4.45Å; M102-V178 HydrophobicContact CB-CG1 4.29Å; M102-V178 HydrophobicContact CG-CG1 4.09Å; M102-V178 HydrophobicContact CG-CG2 4.49Å; F144-V178 HydrophobicContact CE1-CG1 3.74Å; F144-V178 HydrophobicContact CZ-CG1 3.67Å; L148-V178 HydrophobicContact CD1-CG1 4.15Å; L148-V178 HydrophobicContact CD2-CB 4.26Å; L148-V178 HydrophobicContact CD2-CG1 3.69Å; M174-V178 WeakPolarHBondContact O-CB 3.41Å; M174-V178 VanDerWaalsContact O-CG2 3.22Å; M174-V178 WeakPolarHBondContact O-CG2 3.34Å; M174-V178 PolarHBondContact O-N 2.88Å; N175-V178 PolarHBondContact O-N 3.37Å; V178-M181 HydrophobicContact CB-CE 4.24Å; V178-M181 HydrophobicContact CG2-CE 3.71Å; V178-M181 PolarHBondContact O-N 3.45Å; V178-S182 WeakPolarHBondContact O-CB 3.39Å; V178-S182 PolarHBondContact O-N 3.44Å; V178-S182 PolarHBondContact O-OG 3.24Å |
| 179 | H | 84 | Confident | 79.8 | Confident | 75 Ų | 75 | 59.2 Ų | 59.2 | 35% | 0.347 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.3 | -49.4 | 174.3 | -174.3 | 79.6 | 0 | 0 | 0 | 111.7 | F141 Q145 N175 S176 L177 M181 S182 L183 | F141-H179 AromaticContact CZ-CE1 3.68Å; F141-H179 AromaticContact CZ-ND1 3.97Å; Q145-H179 PolarHBondContact NE2-ND1 3.19Å; Q145-H179 PolarHBondContact OE1-ND1 3.07Å; N175-H179 WeakPolarHBondContact O-CB 3.19Å; N175-H179 PolarHBondContact O-N 3.11Å; S176-H179 PolarHBondContact O-N 3.41Å; L177-H179 VanDerWaalsContact C-N 3.29Å; L177-H179 PolarHBondContact O-N 3.11Å; H179-M181 VanDerWaalsContact C-N 3.34Å; H179-M181 PolarHBondContact O-N 2.81Å; H179-S182 WeakPolarHBondContact CA-OG 3.34Å; H179-S182 PolarHBondContact O-N 2.87Å; H179-S182 PolarHBondContact O-OG 3.02Å; H179-L183 PolarHBondContact O-N 3.18Å |
| 180 | S | 87 | Confident | 81.4 | Confident | 62 Ų | 62 | 60.2 Ų | 60.2 | 43% | 0.434 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 175.7 | -61.9 | 0 | 0 | 0 | 0 | 112.8 | S176 L177 S182 L183 V184 | S176-S180 PolarHBondContact O-N 3.14Å; S176-S180 PolarHBondContact O-OG 3.4Å; L177-S180 PolarHBondContact O-N 2.98Å; S180-S182 VanDerWaalsContact C-N 3.34Å; S180-S182 PolarHBondContact O-N 3.32Å; S180-L183 PolarHBondContact O-N 3.02Å; S180-V184 PolarHBondContact O-N 2.98Å |
| 181 | M | 86.2 | Confident | 82.9 | Confident | 27 Ų | 27 | 63.6 Ų | 63.6 | 13% | 0.133 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64 | -39.4 | 176.7 | -71.1 | -175.2 | -58.4 | 0 | 0 | 111.9 | M102 L106 L177 V178 H179 L183 V184 L185 | M102-M181 HydrophobicContact CG-CB 4.17Å; M102-M181 HydrophobicContact CG-CE 3.8Å; M102-M181 HydrophobicContact SD-CB 4.17Å; L106-M181 HydrophobicContact CD2-SD 3.74Å; L177-M181 HydrophobicContact CD1-CG 4.4Å; L177-M181 HydrophobicContact CD2-CE 4.5Å; L177-M181 HydrophobicContact CG-CE 3.98Å; L177-M181 HydrophobicContact CG-CG 4.47Å; L177-M181 HydrophobicContact CG-SD 4.21Å; L177-M181 WeakPolarHBondContact O-CB 3.44Å; L177-M181 VanDerWaalsContact O-CG 3.27Å; L177-M181 WeakPolarHBondContact O-CG 3.46Å; L177-M181 PolarHBondContact O-N 3.01Å; V178-M181 HydrophobicContact CB-CE 4.24Å; V178-M181 HydrophobicContact CG2-CE 3.71Å; V178-M181 PolarHBondContact O-N 3.45Å; H179-M181 VanDerWaalsContact C-N 3.34Å; H179-M181 PolarHBondContact O-N 2.81Å; M181-L183 VanDerWaalsContact C-N 3.29Å; M181-L183 PolarHBondContact O-N 3.43Å; M181-V184 PolarHBondContact O-N 3.2Å; M181-V184 VanDerWaalsContact O-N 3.17Å; M181-L185 WeakPolarHBondContact O-CG 3.38Å; M181-L185 PolarHBondContact O-N 3.31Å |
| 182 | S | 83.1 | Confident | 83.8 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.028 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.1 | -33.9 | 179.8 | 58.1 | 0 | 0 | 0 | 0 | 113.2 | F141 Q145 V178 H179 S180 L185 D186 | F141-S182 WeakPolarHBondContact CE2-OG 3.31Å; Q145-S182 PolarHBondContact NE2-OG 3.33Å; V178-S182 WeakPolarHBondContact O-CB 3.39Å; V178-S182 PolarHBondContact O-N 3.44Å; V178-S182 PolarHBondContact O-OG 3.24Å; H179-S182 WeakPolarHBondContact CA-OG 3.34Å; H179-S182 PolarHBondContact O-N 2.87Å; H179-S182 PolarHBondContact O-OG 3.02Å; S180-S182 VanDerWaalsContact C-N 3.34Å; S180-S182 PolarHBondContact O-N 3.32Å; S182-L185 PolarHBondContact O-N 3.27Å; S182-D186 PolarHBondContact O-N 3.38Å |
| 183 | L | 84.8 | Confident | 84.7 | Confident | 105 Ų | 105 | 61.8 Ų | 61.8 | 55% | 0.55 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.7 | -35.9 | 174.9 | -65.1 | 174.8 | 0 | 0 | 0 | 112.6 | F141 H179 S180 M181 | F141-L183 HydrophobicContact CE2-CD2 3.8Å; F141-L183 HydrophobicContact CE2-CG 4.32Å; F141-L183 HydrophobicContact CZ-CD2 3.76Å; F141-L183 HydrophobicContact CZ-CG 4.37Å; H179-L183 PolarHBondContact O-N 3.18Å; S180-L183 PolarHBondContact O-N 3.02Å; M181-L183 VanDerWaalsContact C-N 3.29Å; M181-L183 PolarHBondContact O-N 3.43Å |
| 184 | V | 84.6 | Confident | 85.3 | Confident | 111 Ų | 111 | 55.3 Ų | 55.3 | 67% | 0.673 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -73.2 | -31.2 | 178.4 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | S180 M181 D186 | S180-V184 PolarHBondContact O-N 2.98Å; M181-V184 PolarHBondContact O-N 3.2Å; M181-V184 VanDerWaalsContact O-N 3.17Å; V184-D186 VanDerWaalsContact C-N 3.35Å |
| 185 | L | 87.1 | Confident | 86 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -84.3 | -5.5 | -176.5 | -69.9 | 167.7 | 0 | 0 | 0 | 114.2 | M102 M105 L106 C109 M181 S182 E187 F188 Y189 | M102-L185 HydrophobicContact SD-CD1 3.32Å; M102-L185 WeakPolarHBondContact SD-CD1 3.38Å; M105-L185 HydrophobicContact CB-CD1 4.13Å; L106-L185 HydrophobicContact CB-CD1 4.49Å; C109-L185 HydrophobicContact CB-CD2 3.75Å; M181-L185 WeakPolarHBondContact O-CG 3.38Å; M181-L185 PolarHBondContact O-N 3.31Å; S182-L185 PolarHBondContact O-N 3.27Å; L185-E187 PolarHBondContact O-N 3.38Å; L185-F188 HydrophobicContact CD2-CB 4.12Å; L185-F188 HydrophobicContact CD2-CD1 3.8Å; L185-F188 HydrophobicContact CD2-CG 4.17Å; L185-F188 WeakPolarHBondContact O-CA 3.34Å; L185-F188 WeakPolarHBondContact O-CB 3.43Å; L185-F188 PolarHBondContact O-N 3.38Å; L185-F188 VanDerWaalsContact O-N 3.12Å; L185-Y189 HydrophobicContact CB-CD2 4.48Å; L185-Y189 HydrophobicContact CB-CE1 4.38Å; L185-Y189 HydrophobicContact CB-CE2 3.88Å; L185-Y189 VanDerWaalsContact O-CD2 3.27Å; L185-Y189 WeakPolarHBondContact O-CD2 3.5Å; L185-Y189 VanDerWaalsContact O-CG 3.3Å; L185-Y189 PolarHBondContact O-N 3.12Å |
| 186 | D | 84.3 | Confident | 86.8 | Confident | 87 Ų | 87 | 52 Ų | 52 | 47% | 0.465 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 178.9 | -166.7 | 50.5 | 0 | 0 | 0 | 112.5 | S182 V184 F188 Y189 S190 | S182-D186 PolarHBondContact O-N 3.38Å; V184-D186 VanDerWaalsContact C-N 3.35Å; D186-F188 VanDerWaalsContact C-N 3.32Å; D186-F188 PolarHBondContact O-N 3.08Å; D186-Y189 PolarHBondContact O-N 3.03Å; D186-S190 PolarHBondContact O-N 3.34Å; D186-S190 VanDerWaalsContact O-N 3.13Å; D186-S190 PolarHBondContact O-OG 3Å |
| 187 | E | 84.9 | Confident | 87.4 | Confident | 144 Ų | 144 | 48.5 Ų | 48.5 | 67% | 0.673 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -65.7 | -37.5 | 173.7 | -173.5 | 176.4 | -174.7 | 0 | 0 | 111.6 | L185 S190 | L185-E187 PolarHBondContact O-N 3.38Å; E187-S190 PolarHBondContact O-N 3.26Å |
| 188 | F | 87.6 | Confident | 87.8 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 175.5 | 170.6 | -110.3 | 0 | 0 | 0 | 111.1 | M105 A108 C109 L112 F119 L185 D186 S190 T191 L192 | M105-F188 HydrophobicContact SD-CE1 4.32Å; A108-F188 HydrophobicContact CB-CZ 4.11Å; C109-F188 HydrophobicContact CB-CD1 4.1Å; C109-F188 HydrophobicContact CB-CD2 3.88Å; C109-F188 HydrophobicContact CB-CE1 4.07Å; C109-F188 HydrophobicContact CB-CE2 3.85Å; C109-F188 HydrophobicContact CB-CG 4Å; C109-F188 HydrophobicContact CB-CZ 3.94Å; L112-F188 HydrophobicContact CB-CE2 4.25Å; L112-F188 HydrophobicContact CD2-CD2 3.73Å; L112-F188 HydrophobicContact CD2-CE2 3.53Å; F119-F188 HydrophobicContact CE1-CZ 4.47Å; L185-F188 HydrophobicContact CD2-CB 4.12Å; L185-F188 HydrophobicContact CD2-CD1 3.8Å; L185-F188 HydrophobicContact CD2-CG 4.17Å; L185-F188 WeakPolarHBondContact O-CA 3.34Å; L185-F188 WeakPolarHBondContact O-CB 3.43Å; L185-F188 PolarHBondContact O-N 3.38Å; L185-F188 VanDerWaalsContact O-N 3.12Å; D186-F188 VanDerWaalsContact C-N 3.32Å; D186-F188 PolarHBondContact O-N 3.08Å; F188-S190 VanDerWaalsContact C-N 3.3Å; F188-S190 PolarHBondContact O-N 2.96Å; F188-T191 PolarHBondContact O-N 3.23Å; F188-T191 PolarHBondContact O-OG1 3.14Å; F188-L192 HydrophobicContact CD1-CD2 4.36Å; F188-L192 HydrophobicContact CE1-CD1 4.41Å; F188-L192 HydrophobicContact CE1-CD2 3.67Å; F188-L192 HydrophobicContact CE2-CD1 4.01Å; F188-L192 HydrophobicContact CZ-CD1 3.74Å; F188-L192 HydrophobicContact CZ-CD2 3.85Å; F188-L192 HydrophobicContact CZ-CG 4.33Å; F188-L192 VanDerWaalsContact O-CB 3.31Å; F188-L192 WeakPolarHBondContact O-CB 3.34Å; F188-L192 PolarHBondContact O-N 3.11Å; F188-L192 VanDerWaalsContact O-N 3.13Å |
| 189 | Y | 87.5 | Confident | 88.1 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 11% | 0.11 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.2 | -32.1 | 179.2 | -61.1 | -35.3 | 0 | 0 | 0 | 113.5 | M105 M138 L185 D186 T191 L192 | M105-Y189 HydrophobicContact CB-CE1 4.11Å; M105-Y189 WeakPolarHBondContact CB-OH 3.22Å; M105-Y189 HydrophobicContact CG-CE1 3.82Å; M105-Y189 WeakPolarHBondContact CG-OH 3.42Å; M105-Y189 HydrophobicContact SD-CE1 3.62Å; M138-Y189 HydrophobicContact CB-CD1 4.11Å; M138-Y189 HydrophobicContact CB-CD2 4.18Å; M138-Y189 HydrophobicContact CB-CG 3.93Å; M138-Y189 HydrophobicContact CG-CD1 3.72Å; M138-Y189 HydrophobicContact CG-CD2 4.36Å; M138-Y189 HydrophobicContact CG-CE1 3.79Å; M138-Y189 HydrophobicContact CG-CE2 4.4Å; M138-Y189 HydrophobicContact CG-CG 4.04Å; M138-Y189 WeakPolarHBondContact O-CD2 3.43Å; M138-Y189 HydrophobicContact SD-CD1 3.99Å; M138-Y189 HydrophobicContact SD-CE1 4.2Å; L185-Y189 HydrophobicContact CB-CD2 4.48Å; L185-Y189 HydrophobicContact CB-CE1 4.38Å; L185-Y189 HydrophobicContact CB-CE2 3.88Å; L185-Y189 VanDerWaalsContact O-CD2 3.27Å; L185-Y189 WeakPolarHBondContact O-CD2 3.5Å; L185-Y189 VanDerWaalsContact O-CG 3.3Å; L185-Y189 PolarHBondContact O-N 3.12Å; D186-Y189 PolarHBondContact O-N 3.03Å; Y189-T191 PolarHBondContact O-N 3Å; Y189-L192 HydrophobicContact CD1-CD2 4.2Å; Y189-L192 PolarHBondContact O-N 3.46Å |
| 190 | S | 84.2 | Confident | 88.5 | Confident | 98 Ų | 98 | 53 Ų | 53 | 69% | 0.685 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.1 | -28.2 | 178.4 | -66.2 | 0 | 0 | 0 | 0 | 113.4 | D186 E187 F188 | D186-S190 PolarHBondContact O-N 3.34Å; D186-S190 VanDerWaalsContact O-N 3.13Å; D186-S190 PolarHBondContact O-OG 3Å; E187-S190 PolarHBondContact O-N 3.26Å; F188-S190 VanDerWaalsContact C-N 3.3Å; F188-S190 PolarHBondContact O-N 2.96Å |
| 191 | T | 84.4 | Confident | 88.8 | Confident | 106 Ų | 106 | 54.2 Ų | 54.2 | 65% | 0.65 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -105.3 | -10.7 | -179.2 | 59.1 | 0 | 0 | 0 | 0 | 113.3 | F188 Y189 R193 | F188-T191 PolarHBondContact O-N 3.23Å; F188-T191 PolarHBondContact O-OG1 3.14Å; Y189-T191 PolarHBondContact O-N 3Å; T191-R193 PolarHBondContact O-N 2.61Å |
| 192 | L | 87.5 | Confident | 89 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 13% | 0.131 | 32% | 0.321 | C | S | . | . | trans | -77.7 | 120.2 | -172.2 | -175.1 | 65.7 | 0 | 0 | 0 | 112.1 | M105 F119 L121 M138 F188 Y189 | M105-L192 HydrophobicContact SD-CD2 4.42Å; F119-L192 HydrophobicContact CD1-CD1 3.56Å; F119-L192 HydrophobicContact CE1-CD1 3.78Å; L121-L192 HydrophobicContact CB-CD1 4.11Å; L121-L192 HydrophobicContact CB-CD2 4.14Å; L121-L192 HydrophobicContact CB-CG 4.2Å; L121-L192 HydrophobicContact CD2-CD2 3.83Å; M138-L192 HydrophobicContact SD-CD2 4.1Å; F188-L192 HydrophobicContact CD1-CD2 4.36Å; F188-L192 HydrophobicContact CE1-CD1 4.41Å; F188-L192 HydrophobicContact CE1-CD2 3.67Å; F188-L192 HydrophobicContact CE2-CD1 4.01Å; F188-L192 HydrophobicContact CZ-CD1 3.74Å; F188-L192 HydrophobicContact CZ-CD2 3.85Å; F188-L192 HydrophobicContact CZ-CG 4.33Å; F188-L192 VanDerWaalsContact O-CB 3.31Å; F188-L192 WeakPolarHBondContact O-CB 3.34Å; F188-L192 PolarHBondContact O-N 3.11Å; F188-L192 VanDerWaalsContact O-N 3.13Å; Y189-L192 HydrophobicContact CD1-CD2 4.2Å; Y189-L192 PolarHBondContact O-N 3.46Å | ||
| 193 | R | 91.1 | Very high | 89.5 | Confident | 45 Ų | 45 | 60.3 Ų | 60.3 | 17% | 0.17 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 127.9 | 164.5 | -69.1 | -170.7 | -177.8 | 94.6 | 5.1 | 110.1 | I120 L121 T191 E211 E218 | I120-R193 HydrophobicContact CG1-CB 4.39Å; L121-R193 PolarHBondContact N-O 3.17Å; T191-R193 PolarHBondContact O-N 2.61Å; R193-E211 VanDerWaalsContact CD-OE2 3.22Å; R193-E211 WeakPolarHBondContact CD-OE2 3.32Å; R193-E211 WeakPolarHBondContact CG-OE2 3.07Å; R193-E211 IonicContact NE-OE2 2.78Å; R193-E218 IonicContact CZ-OE2 3.23Å; R193-E218 IonicContact NH1-OE2 2.85Å; R193-E218 PolarHBondContact NH1-OE2 3.17Å; R193-E218 IonicContact NH2-OE2 2.76Å; R193-E218 PolarHBondContact NH2-OE2 2.96Å |
| 194 | C | 92 | Very high | 89.8 | Confident | 19 Ų | 19 | 56.3 Ų | 56.3 | 13% | 0.128 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 134.1 | 178.7 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | L121 L123 M138 | L121-C194 HydrophobicContact CB-CB 4.3Å; L121-C194 HydrophobicContact CD2-CB 4.38Å; L121-C194 WeakPolarHBondContact O-CA 3.12Å; L123-C194 VanDerWaalsContact CD1-SG 3.58Å; M138-C194 HydrophobicContact CE-CB 4.06Å |
| 195 | C | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 140 | 174.2 | 58.5 | 0 | 0 | 0 | 0 | 111.5 | L121 V122 L123 F208 | L121-C195 PolarHBondContact O-N 2.89Å; V122-C195 WeakPolarHBondContact CA-O 3.38Å; L123-C195 PolarHBondContact N-O 3.24Å; C195-F208 VanDerWaalsContact SG-CD2 3.5Å |
| 196 | G | 94.4 | Very high | 90.5 | Very high | 14 Ų | 14 | 60 Ų | 60 | 14% | 0.144 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 132.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L123 G204 | L123-G196 WeakPolarHBondContact O-CA 3.46Å; G196-G204 WeakPolarHBondContact O-CA 3.45Å |
| 197 | I | 95.8 | Very high | 91 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 145 | -179.9 | -51.7 | 175.7 | 0 | 0 | 0 | 109.5 | V122 L123 N124 K125 T126 E203 M205 F208 | V122-I197 HydrophobicContact CG1-CB 4.17Å; V122-I197 HydrophobicContact CG1-CD1 3.56Å; V122-I197 HydrophobicContact CG1-CG1 3.96Å; V122-I197 HydrophobicContact CG2-CD1 4.17Å; L123-I197 PolarHBondContact O-N 3.46Å; N124-I197 CarbonylContact C-O 3.43Å; N124-I197 VanDerWaalsContact CA-O 3.24Å; N124-I197 WeakPolarHBondContact CA-O 3.22Å; N124-I197 PolarHBondContact OD1-O 3.4Å; K125-I197 PolarHBondContact N-O 3.05Å; T126-I197 PolarHBondContact N-O 3.31Å; T126-I197 VanDerWaalsContact OG1-C 3.24Å; T126-I197 PolarHBondContact OG1-O 2.89Å; I197-E203 VanDerWaalsContact CA-O 3.3Å; I197-E203 WeakPolarHBondContact CA-O 3.36Å; I197-E203 WeakPolarHBondContact CG2-O 3.39Å; I197-M205 HydrophobicContact CG2-CE 3.93Å; I197-F208 HydrophobicContact CD1-CB 3.35Å; I197-F208 HydrophobicContact CD1-CD1 3.68Å; I197-F208 HydrophobicContact CD1-CD2 3.6Å; I197-F208 HydrophobicContact CD1-CE1 4.29Å; I197-F208 HydrophobicContact CD1-CE2 4.22Å; I197-F208 HydrophobicContact CD1-CG 3.25Å; I197-F208 HydrophobicContact CG1-CB 4.07Å; I197-F208 HydrophobicContact CG1-CG 4.44Å |
| 198 | S | 95.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -105.9 | 112.9 | 158.6 | 175.4 | 0 | 0 | 0 | 0 | 109.6 | T126 D127 I200 T201 G202 E203 | T126-S198 WeakPolarHBondContact OG1-CB 3.27Å; T126-S198 PolarHBondContact OG1-N 2.92Å; T126-S198 VanDerWaalsContact OG1-N 3.17Å; D127-S198 WeakPolarHBondContact CB-OG 3.19Å; D127-S198 VanDerWaalsContact CG-OG 3.23Å; D127-S198 WeakPolarHBondContact OD1-CB 3.5Å; D127-S198 PolarHBondContact OD1-OG 3.37Å; S198-I200 PolarHBondContact O-N 3.16Å; S198-I200 PolarHBondContact OG-N 3.49Å; S198-T201 WeakPolarHBondContact CB-OG1 3.48Å; S198-T201 PolarHBondContact OG-N 3.02Å; S198-T201 PolarHBondContact OG-OG1 2.95Å; S198-G202 VanDerWaalsContact O-CA 3.31Å; S198-G202 WeakPolarHBondContact O-CA 3.17Å; S198-G202 PolarHBondContact O-N 3.38Å; S198-E203 PolarHBondContact N-O 2.75Å | ||
| 199 | S | 92 | Very high | 91.8 | Very high | 86 Ų | 86 | 56.7 Ų | 56.7 | 60% | 0.601 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -18.9 | 175.7 | -59.7 | 0 | 0 | 0 | 0 | 113 | N124 | N124-S199 VanDerWaalsContact CG-OG 3.29Å; N124-S199 PolarHBondContact ND2-OG 3.4Å; N124-S199 VanDerWaalsContact ND2-OG 3.14Å; N124-S199 PolarHBondContact OD1-N 2.64Å; N124-S199 PolarHBondContact OD1-OG 3.08Å |
| 200 | I | 92.7 | Very high | 92.2 | Very high | 143 Ų | 143 | 61.1 Ų | 61.1 | 73% | 0.733 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -42.3 | -177.7 | -140 | 169.9 | 0 | 0 | 0 | 112 | D127 S198 | D127-I200 HydrophobicContact CB-CG2 4.45Å; S198-I200 PolarHBondContact O-N 3.16Å; S198-I200 PolarHBondContact OG-N 3.49Å |
| 201 | T | 91.7 | Very high | 92.6 | Very high | 86 Ų | 86 | 58 Ų | 58 | 53% | 0.528 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -20.6 | -179.6 | 67.3 | 0 | 0 | 0 | 0 | 112.4 | D127 S198 E203 | D127-T201 HydrophobicContact CB-CG2 3.88Å; S198-T201 WeakPolarHBondContact CB-OG1 3.48Å; S198-T201 PolarHBondContact OG-N 3.02Å; S198-T201 PolarHBondContact OG-OG1 2.95Å; T201-E203 VanDerWaalsContact C-N 3.27Å; T201-E203 WeakPolarHBondContact OG1-CB 3.3Å; T201-E203 PolarHBondContact OG1-N 2.86Å |
| 202 | G | 91.4 | Very high | 93.1 | Very high | 40 Ų | 40 | 53.9 Ų | 53.9 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | trans | 80.5 | 6.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S198 M205 | S198-G202 VanDerWaalsContact O-CA 3.31Å; S198-G202 WeakPolarHBondContact O-CA 3.17Å; S198-G202 PolarHBondContact O-N 3.38Å; G202-M205 VanDerWaalsContact O-CB 3.28Å; G202-M205 WeakPolarHBondContact O-CB 3.39Å; G202-M205 PolarHBondContact O-N 2.79Å | ||
| 203 | E | 92.5 | Very high | 93.4 | Very high | 119 Ų | 119 | 56 Ų | 56 | 56% | 0.556 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 141.6 | 175.4 | -174.9 | 174.6 | -173.5 | 0 | 0 | 111.4 | I197 S198 T201 M205 | I197-E203 VanDerWaalsContact CA-O 3.3Å; I197-E203 WeakPolarHBondContact CA-O 3.36Å; I197-E203 WeakPolarHBondContact CG2-O 3.39Å; S198-E203 PolarHBondContact N-O 2.75Å; T201-E203 VanDerWaalsContact C-N 3.27Å; T201-E203 WeakPolarHBondContact OG1-CB 3.3Å; T201-E203 PolarHBondContact OG1-N 2.86Å; E203-M205 PolarHBondContact O-N 2.87Å |
| 204 | G | 92.3 | Very high | 93.5 | Very high | 21 Ų | 21 | 58.8 Ų | 58.8 | 22% | 0.216 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | -5.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | G196 T206 K207 F208 | G196-G204 WeakPolarHBondContact O-CA 3.45Å; G204-T206 VanDerWaalsContact C-N 3.31Å; G204-T206 PolarHBondContact O-N 3.16Å; G204-K207 PolarHBondContact O-N 2.79Å; G204-F208 PolarHBondContact O-N 3.03Å |
| 205 | M | 92.6 | Very high | 93.6 | Very high | 80 Ų | 80 | 57.9 Ų | 57.9 | 39% | 0.394 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.1 | -33.9 | -177.1 | -170.3 | 61.5 | 60.4 | 0 | 0 | 113.2 | I197 G202 E203 F208 V209 | I197-M205 HydrophobicContact CG2-CE 3.93Å; G202-M205 VanDerWaalsContact O-CB 3.28Å; G202-M205 WeakPolarHBondContact O-CB 3.39Å; G202-M205 PolarHBondContact O-N 2.79Å; E203-M205 PolarHBondContact O-N 2.87Å; M205-F208 PolarHBondContact O-N 3.23Å; M205-F208 HydrophobicContact SD-CD1 3.7Å; M205-F208 HydrophobicContact SD-CE1 4.39Å; M205-V209 WeakPolarHBondContact O-CG2 3.37Å; M205-V209 PolarHBondContact O-N 3.06Å |
| 206 | T | 94.4 | Very high | 93.6 | Very high | 110 Ų | 110 | 62.5 Ų | 62.5 | 68% | 0.675 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.9 | -49.9 | 178 | 52.7 | 0 | 0 | 0 | 0 | 111.2 | G204 F208 V209 E210 | G204-T206 VanDerWaalsContact C-N 3.31Å; G204-T206 PolarHBondContact O-N 3.16Å; T206-F208 VanDerWaalsContact C-N 3.28Å; T206-F208 PolarHBondContact O-N 3.05Å; T206-V209 PolarHBondContact O-N 3.34Å; T206-E210 WeakPolarHBondContact O-CG 3.27Å; T206-E210 PolarHBondContact O-N 3.11Å; T206-E210 VanDerWaalsContact O-N 3.08Å |
| 207 | K | 93.2 | Very high | 93.5 | Very high | 84 Ų | 84 | 68.7 Ų | 68.7 | 37% | 0.365 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.9 | -41 | 176 | -173.9 | -178.9 | 178.3 | -172.3 | 0 | 110.9 | G204 V209 E210 E211 | G204-K207 PolarHBondContact O-N 2.79Å; K207-V209 VanDerWaalsContact C-N 3.35Å; K207-V209 PolarHBondContact O-N 2.88Å; K207-E210 WeakPolarHBondContact O-CB 3.44Å; K207-E210 PolarHBondContact O-N 3.19Å; K207-E211 HydrophobicContact CG-CG 4.47Å; K207-E211 VanDerWaalsContact O-CG 3.27Å; K207-E211 WeakPolarHBondContact O-CG 3.41Å; K207-E211 PolarHBondContact O-N 3.16Å |
| 208 | F | 95.4 | Very high | 93.2 | Very high | 26 Ų | 26 | 71.3 Ų | 71.3 | 11% | 0.114 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 176.8 | 175 | -122.4 | 0 | 0 | 0 | 113.6 | I87 I120 V122 C195 I197 G204 M205 T206 E210 E211 I212 | I87-F208 HydrophobicContact CD1-CE2 4.34Å; I87-F208 HydrophobicContact CD1-CZ 3.71Å; I87-F208 HydrophobicContact CG1-CE2 4.24Å; I87-F208 HydrophobicContact CG1-CZ 4.1Å; I87-F208 HydrophobicContact CG2-CE2 4.39Å; I87-F208 HydrophobicContact CG2-CZ 4.36Å; I120-F208 HydrophobicContact CG2-CD2 4.46Å; I120-F208 HydrophobicContact CG2-CE2 4.3Å; V122-F208 HydrophobicContact CG2-CD2 3.94Å; V122-F208 HydrophobicContact CG2-CE2 3.52Å; V122-F208 HydrophobicContact CG2-CZ 4.27Å; C195-F208 VanDerWaalsContact SG-CD2 3.5Å; I197-F208 HydrophobicContact CD1-CB 3.35Å; I197-F208 HydrophobicContact CD1-CD1 3.68Å; I197-F208 HydrophobicContact CD1-CD2 3.6Å; I197-F208 HydrophobicContact CD1-CE1 4.29Å; I197-F208 HydrophobicContact CD1-CE2 4.22Å; I197-F208 HydrophobicContact CD1-CG 3.25Å; I197-F208 HydrophobicContact CG1-CB 4.07Å; I197-F208 HydrophobicContact CG1-CG 4.44Å; G204-F208 PolarHBondContact O-N 3.03Å; M205-F208 PolarHBondContact O-N 3.23Å; M205-F208 HydrophobicContact SD-CD1 3.7Å; M205-F208 HydrophobicContact SD-CE1 4.39Å; T206-F208 VanDerWaalsContact C-N 3.28Å; T206-F208 PolarHBondContact O-N 3.05Å; F208-E210 VanDerWaalsContact C-N 3.33Å; F208-E211 PolarHBondContact O-N 3.12Å; F208-I212 HydrophobicContact CD1-CD1 3.81Å; F208-I212 HydrophobicContact CD2-CD1 4.2Å; F208-I212 HydrophobicContact CD2-CG1 4.41Å; F208-I212 HydrophobicContact CE1-CD1 3.43Å; F208-I212 VanDerWaalsContact CE1-CD1 3.43Å; F208-I212 HydrophobicContact CE2-CD1 3.86Å; F208-I212 HydrophobicContact CE2-CG1 4.11Å; F208-I212 HydrophobicContact CG-CD1 4.22Å; F208-I212 HydrophobicContact CZ-CD1 3.48Å; F208-I212 VanDerWaalsContact CZ-CD1 3.48Å; F208-I212 HydrophobicContact CZ-CG1 4.2Å; F208-I212 WeakPolarHBondContact O-CG1 3.41Å; F208-I212 PolarHBondContact O-N 3.39Å |
| 209 | V | 94.4 | Very high | 93 | Very high | 57 Ų | 57 | 71.7 Ų | 71.7 | 35% | 0.345 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.7 | -38.6 | 176 | 173.4 | 0 | 0 | 0 | 0 | 111 | M205 T206 K207 I212 D213 | M205-V209 WeakPolarHBondContact O-CG2 3.37Å; M205-V209 PolarHBondContact O-N 3.06Å; T206-V209 PolarHBondContact O-N 3.34Å; K207-V209 VanDerWaalsContact C-N 3.35Å; K207-V209 PolarHBondContact O-N 2.88Å; V209-I212 WeakPolarHBondContact O-CB 3.49Å; V209-I212 PolarHBondContact O-N 2.86Å; V209-D213 PolarHBondContact O-N 2.99Å |
| 210 | E | 95.1 | Very high | 92.9 | Very high | 120 Ų | 120 | 72.4 Ų | 72.4 | 56% | 0.561 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.4 | -47.5 | 173.7 | -67.8 | 167 | -177.9 | 0 | 0 | 111.4 | T206 K207 F208 I212 D213 E214 | T206-E210 WeakPolarHBondContact O-CG 3.27Å; T206-E210 PolarHBondContact O-N 3.11Å; T206-E210 VanDerWaalsContact O-N 3.08Å; K207-E210 WeakPolarHBondContact O-CB 3.44Å; K207-E210 PolarHBondContact O-N 3.19Å; F208-E210 VanDerWaalsContact C-N 3.33Å; E210-I212 VanDerWaalsContact C-N 3.28Å; E210-I212 PolarHBondContact O-N 3.49Å; E210-D213 PolarHBondContact O-N 3.03Å; E210-D213 VanDerWaalsContact O-N 3.12Å; E210-E214 PolarHBondContact O-N 3.41Å |
| 211 | E | 94.3 | Very high | 92.7 | Very high | 32 Ų | 32 | 73.7 Ų | 73.7 | 15% | 0.15 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.2 | -32.6 | 176.9 | -62.7 | -76.2 | 167.2 | 0 | 0 | 112.5 | I120 R193 K207 F208 A215 | I120-E211 HydrophobicContact CD1-CB 4.35Å; R193-E211 VanDerWaalsContact CD-OE2 3.22Å; R193-E211 WeakPolarHBondContact CD-OE2 3.32Å; R193-E211 WeakPolarHBondContact CG-OE2 3.07Å; R193-E211 IonicContact NE-OE2 2.78Å; K207-E211 HydrophobicContact CG-CG 4.47Å; K207-E211 VanDerWaalsContact O-CG 3.27Å; K207-E211 WeakPolarHBondContact O-CG 3.41Å; K207-E211 PolarHBondContact O-N 3.16Å; F208-E211 PolarHBondContact O-N 3.12Å; E211-A215 VanDerWaalsContact O-CB 3.22Å; E211-A215 WeakPolarHBondContact O-CB 3.05Å; E211-A215 PolarHBondContact O-N 2.91Å |
| 212 | I | 94.7 | Very high | 92.4 | Very high | 21 Ų | 21 | 74.2 Ų | 74.2 | 11% | 0.108 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 172.7 | -78 | 165 | 0 | 0 | 0 | 111 | Y53 L85 I120 F208 V209 E210 A215 K216 | Y53-I212 HydrophobicContact CE1-CG2 4Å; L85-I212 HydrophobicContact CD2-CB 4.39Å; L85-I212 HydrophobicContact CD2-CG1 4.29Å; L85-I212 HydrophobicContact CD2-CG2 3.98Å; I120-I212 HydrophobicContact CD1-CG1 3.93Å; F208-I212 HydrophobicContact CD1-CD1 3.81Å; F208-I212 HydrophobicContact CD2-CD1 4.2Å; F208-I212 HydrophobicContact CD2-CG1 4.41Å; F208-I212 HydrophobicContact CE1-CD1 3.43Å; F208-I212 VanDerWaalsContact CE1-CD1 3.43Å; F208-I212 HydrophobicContact CE2-CD1 3.86Å; F208-I212 HydrophobicContact CE2-CG1 4.11Å; F208-I212 HydrophobicContact CG-CD1 4.22Å; F208-I212 HydrophobicContact CZ-CD1 3.48Å; F208-I212 VanDerWaalsContact CZ-CD1 3.48Å; F208-I212 HydrophobicContact CZ-CG1 4.2Å; F208-I212 WeakPolarHBondContact O-CG1 3.41Å; F208-I212 PolarHBondContact O-N 3.39Å; V209-I212 WeakPolarHBondContact O-CB 3.49Å; V209-I212 PolarHBondContact O-N 2.86Å; E210-I212 VanDerWaalsContact C-N 3.28Å; E210-I212 PolarHBondContact O-N 3.49Å; I212-A215 PolarHBondContact O-N 3.42Å; I212-K216 WeakPolarHBondContact O-CB 3.38Å; I212-K216 PolarHBondContact O-N 3.04Å |
| 213 | D | 93.8 | Very high | 92.1 | Very high | 69 Ų | 69 | 73 Ų | 73 | 37% | 0.369 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.2 | -40.4 | -179.2 | -74.4 | -24.9 | 0 | 0 | 0 | 110.7 | V209 E210 K216 E217 | V209-D213 PolarHBondContact O-N 2.99Å; E210-D213 PolarHBondContact O-N 3.03Å; E210-D213 VanDerWaalsContact O-N 3.12Å; D213-K216 WeakPolarHBondContact O-CB 3.47Å; D213-K216 PolarHBondContact O-N 2.84Å; D213-E217 PolarHBondContact O-N 3.16Å; D213-E217 VanDerWaalsContact O-N 3.11Å |
| 214 | E | 93.5 | Very high | 91.7 | Very high | 103 Ų | 103 | 69.5 Ų | 69.5 | 48% | 0.481 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 172.4 | -69 | -172.7 | -171.4 | 0 | 0 | 112.8 | E210 K216 E217 E218 | E210-E214 PolarHBondContact O-N 3.41Å; E214-K216 PolarHBondContact O-N 3.41Å; E214-E217 WeakPolarHBondContact O-CB 3.36Å; E214-E217 PolarHBondContact O-N 2.93Å; E214-E217 VanDerWaalsContact O-N 3.14Å; E214-E218 PolarHBondContact O-N 2.91Å |
| 215 | A | 93 | Very high | 91.4 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.8 | -30.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L85 P118 I120 E211 I212 E218 Y219 | L85-A215 HydrophobicContact CD2-CB 4.17Å; P118-A215 HydrophobicContact CB-CB 4.03Å; P118-A215 WeakPolarHBondContact CG-O 3.31Å; I120-A215 HydrophobicContact CD1-CB 3.83Å; I120-A215 HydrophobicContact CG1-CB 4.17Å; E211-A215 VanDerWaalsContact O-CB 3.22Å; E211-A215 WeakPolarHBondContact O-CB 3.05Å; E211-A215 PolarHBondContact O-N 2.91Å; I212-A215 PolarHBondContact O-N 3.42Å; A215-E218 WeakPolarHBondContact O-CB 3.46Å; A215-E218 PolarHBondContact O-N 2.99Å; A215-Y219 PolarHBondContact O-N 3.49Å |
| 216 | K | 92.6 | Very high | 91 | Very high | 97 Ų | 97 | 70.7 Ų | 70.7 | 42% | 0.422 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 172.2 | 177.5 | -175.8 | 175 | -173.9 | 0 | 111.4 | P83 I212 D213 E214 E218 Y219 F220 | P83-K216 HydrophobicContact CB-CG 4.23Å; I212-K216 WeakPolarHBondContact O-CB 3.38Å; I212-K216 PolarHBondContact O-N 3.04Å; D213-K216 WeakPolarHBondContact O-CB 3.47Å; D213-K216 PolarHBondContact O-N 2.84Å; E214-K216 PolarHBondContact O-N 3.41Å; K216-E218 VanDerWaalsContact C-N 3.32Å; K216-Y219 WeakPolarHBondContact O-CB 3.46Å; K216-Y219 PolarHBondContact O-N 3.48Å; K216-F220 HydrophobicContact CD-CE2 4.48Å; K216-F220 HydrophobicContact CG-CD2 4.21Å; K216-F220 HydrophobicContact CG-CE2 3.81Å; K216-F220 WeakPolarHBondContact O-CD2 3.25Å; K216-F220 PolarHBondContact O-N 3.35Å |
| 217 | E | 92.5 | Very high | 90.3 | Very high | 144 Ų | 144 | 67 Ų | 67 | 67% | 0.673 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.8 | -40.8 | 173.5 | -68.1 | -172.7 | 173.6 | 0 | 0 | 111.7 | D213 E214 Y219 F220 K221 | D213-E217 PolarHBondContact O-N 3.16Å; D213-E217 VanDerWaalsContact O-N 3.11Å; E214-E217 WeakPolarHBondContact O-CB 3.36Å; E214-E217 PolarHBondContact O-N 2.93Å; E214-E217 VanDerWaalsContact O-N 3.14Å; E217-Y219 VanDerWaalsContact C-N 3.34Å; E217-Y219 PolarHBondContact O-N 2.87Å; E217-F220 PolarHBondContact O-N 3.28Å; E217-K221 WeakPolarHBondContact O-CB 3.27Å; E217-K221 PolarHBondContact O-N 3.04Å |
| 218 | E | 90.4 | Very high | 89.8 | Confident | 59 Ų | 59 | 69 Ų | 69 | 28% | 0.276 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59 | -44.6 | 173.8 | -174.2 | -178.5 | 140.5 | 0 | 0 | 112.2 | R193 E214 A215 K216 F220 K221 I222 | R193-E218 IonicContact CZ-OE2 3.23Å; R193-E218 IonicContact NH1-OE2 2.85Å; R193-E218 PolarHBondContact NH1-OE2 3.17Å; R193-E218 IonicContact NH2-OE2 2.76Å; R193-E218 PolarHBondContact NH2-OE2 2.96Å; E214-E218 PolarHBondContact O-N 2.91Å; A215-E218 WeakPolarHBondContact O-CB 3.46Å; A215-E218 PolarHBondContact O-N 2.99Å; K216-E218 VanDerWaalsContact C-N 3.32Å; E218-F220 VanDerWaalsContact C-N 3.28Å; E218-F220 PolarHBondContact O-N 3.44Å; E218-K221 PolarHBondContact O-N 3.38Å; E218-K221 VanDerWaalsContact O-N 3.1Å; E218-I222 HydrophobicContact CG-CB 4.37Å; E218-I222 HydrophobicContact CG-CD1 3.81Å; E218-I222 HydrophobicContact CG-CG1 4.17Å; E218-I222 PolarHBondContact O-N 3.35Å |
| 219 | Y | 90.4 | Very high | 89.3 | Confident | 9 Ų | 9 | 69.9 Ų | 69.9 | 4% | 0.035 | 35% | 0.347 | C | S | . | . | I | π-helix | trans | -52.5 | -48 | 176.1 | 172.2 | -90 | 0 | 0 | 0 | 111.6 | G79 F82 P83 L117 P118 A215 K216 E217 K221 N223 L224 | G79-Y219 WeakPolarHBondContact O-CE2 2.96Å; G79-Y219 PolarHBondContact O-OH 3.16Å; F82-Y219 PolarHBondContact O-OH 2.86Å; F82-Y219 VanDerWaalsContact O-OH 3.12Å; P83-Y219 VanDerWaalsContact CA-CE1 3.44Å; P83-Y219 HydrophobicContact CB-CD1 3.72Å; P83-Y219 HydrophobicContact CB-CE1 3.93Å; P83-Y219 HydrophobicContact CB-CG 4.26Å; P83-Y219 HydrophobicContact CG-CD1 4.2Å; P83-Y219 HydrophobicContact CG-CE1 4.08Å; L117-Y219 HydrophobicContact CD2-CE2 4.47Å; P118-Y219 HydrophobicContact CG-CD2 4.45Å; A215-Y219 PolarHBondContact O-N 3.49Å; K216-Y219 WeakPolarHBondContact O-CB 3.46Å; K216-Y219 PolarHBondContact O-N 3.48Å; E217-Y219 VanDerWaalsContact C-N 3.34Å; E217-Y219 PolarHBondContact O-N 2.87Å; Y219-K221 VanDerWaalsContact C-N 3.34Å; Y219-K221 PolarHBondContact O-N 3.23Å; Y219-N223 HydrophobicContact CD2-CB 4.03Å; Y219-N223 HydrophobicContact CE2-CB 4.5Å; Y219-N223 PolarHBondContact O-N 3.12Å; Y219-L224 HydrophobicContact CE1-CB 4.27Å; Y219-L224 HydrophobicContact CE1-CD1 4.26Å; Y219-L224 WeakPolarHBondContact O-CB 3.45Å; Y219-L224 PolarHBondContact O-N 3.18Å |
| 220 | F | 89.4 | Confident | 88.7 | Confident | 100 Ų | 100 | 71.9 Ų | 71.9 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | I | π-helix | trans | -69.2 | -33 | -179.1 | -74.5 | -68.5 | 0 | 0 | 0 | 112.9 | P83 K216 E217 E218 L224 P225 | P83-F220 HydrophobicContact CB-CE2 4.22Å; P83-F220 HydrophobicContact CB-CZ 4.16Å; P83-F220 HydrophobicContact CG-CE1 4.02Å; P83-F220 HydrophobicContact CG-CE2 3.82Å; P83-F220 HydrophobicContact CG-CZ 3.31Å; K216-F220 HydrophobicContact CD-CE2 4.48Å; K216-F220 HydrophobicContact CG-CD2 4.21Å; K216-F220 HydrophobicContact CG-CE2 3.81Å; K216-F220 WeakPolarHBondContact O-CD2 3.25Å; K216-F220 PolarHBondContact O-N 3.35Å; E217-F220 PolarHBondContact O-N 3.28Å; E218-F220 VanDerWaalsContact C-N 3.28Å; E218-F220 PolarHBondContact O-N 3.44Å; F220-L224 HydrophobicContact CD1-CD1 3.97Å; F220-L224 HydrophobicContact CE1-CD1 4.41Å; F220-P225 WeakPolarHBondContact O-CD 3.48Å |
| 221 | K | 89.2 | Confident | 88 | Confident | 171 Ų | 171 | 69.2 Ų | 69.2 | 74% | 0.743 | 34% | 0.339 | S | S | * | . | I | π-helix | trans | -84.3 | -38.1 | -175 | -172.8 | -178.8 | 178.2 | -174.9 | 0 | 113.4 | E217 E218 Y219 P225 | E217-K221 WeakPolarHBondContact O-CB 3.27Å; E217-K221 PolarHBondContact O-N 3.04Å; E218-K221 PolarHBondContact O-N 3.38Å; E218-K221 VanDerWaalsContact O-N 3.1Å; Y219-K221 VanDerWaalsContact C-N 3.34Å; Y219-K221 PolarHBondContact O-N 3.23Å; K221-P225 WeakPolarHBondContact O-CG 3.08Å |
| 222 | I | 86.4 | Confident | 87.4 | Confident | 97 Ų | 97 | 73.3 Ų | 73.3 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | I | π-helix | trans | -112.9 | -55.8 | -169.8 | -55.4 | -173.7 | 0 | 0 | 0 | 110.9 | E218 S226 | E218-I222 HydrophobicContact CG-CB 4.37Å; E218-I222 HydrophobicContact CG-CD1 3.81Å; E218-I222 HydrophobicContact CG-CG1 4.17Å; E218-I222 PolarHBondContact O-N 3.35Å; I222-S226 WeakPolarHBondContact O-CB 3.14Å; I222-S226 PolarHBondContact O-N 3.2Å; I222-S226 PolarHBondContact O-OG 3.13Å |
| 223 | N | 84.7 | Confident | 86.8 | Confident | 13 Ų | 13 | 79.3 Ų | 79.3 | 7% | 0.07 | 38% | 0.383 | C | S | . | . | I | π-helix | trans | -73.6 | -43.5 | -170.5 | -56.6 | 69.6 | 0 | 0 | 0 | 112.3 | Q116 L117 Y219 S226 L227 | Q116-N223 PolarHBondContact O-ND2 3.03Å; L117-N223 WeakPolarHBondContact CA-ND2 3.42Å; Y219-N223 HydrophobicContact CD2-CB 4.03Å; Y219-N223 HydrophobicContact CE2-CB 4.5Å; Y219-N223 PolarHBondContact O-N 3.12Å; N223-S226 WeakPolarHBondContact CA-OG 3.47Å; N223-S226 PolarHBondContact O-N 3.42Å; N223-S226 PolarHBondContact O-OG 3.33Å; N223-L227 WeakPolarHBondContact O-CB 3.45Å; N223-L227 WeakPolarHBondContact O-CG 3.38Å; N223-L227 PolarHBondContact O-N 3.13Å |
| 224 | L | 83.9 | Confident | 86.1 | Confident | 47 Ų | 47 | 80.3 Ų | 80.3 | 25% | 0.246 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62 | -46.4 | -179.4 | 176.4 | 156.9 | 0 | 0 | 0 | 112.1 | Y219 F220 S226 L227 Y228 | Y219-L224 HydrophobicContact CE1-CB 4.27Å; Y219-L224 HydrophobicContact CE1-CD1 4.26Å; Y219-L224 WeakPolarHBondContact O-CB 3.45Å; Y219-L224 PolarHBondContact O-N 3.18Å; F220-L224 HydrophobicContact CD1-CD1 3.97Å; F220-L224 HydrophobicContact CE1-CD1 4.41Å; L224-S226 PolarHBondContact O-N 3.25Å; L224-L227 PolarHBondContact O-N 3.27Å; L224-Y228 HydrophobicContact CD1-CE2 4.39Å; L224-Y228 HydrophobicContact CD2-CD2 3.66Å; L224-Y228 HydrophobicContact CD2-CE2 3.42Å; L224-Y228 VanDerWaalsContact CD2-CE2 3.42Å; L224-Y228 HydrophobicContact CG-CD2 4.09Å; L224-Y228 HydrophobicContact CG-CE2 3.67Å; L224-Y228 WeakPolarHBondContact O-CD2 3.28Å; L224-Y228 PolarHBondContact O-N 2.88Å; L224-Y228 VanDerWaalsContact O-N 3.12Å |
| 225 | P | 85.8 | Confident | 85.4 | Confident | 62 Ų | 62 | 83 Ų | 83 | 40% | 0.403 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 172.9 | -26.9 | 37.2 | 0 | 0 | 0 | 113.9 | F220 K221 L227 Y228 A229 | F220-P225 WeakPolarHBondContact O-CD 3.48Å; K221-P225 WeakPolarHBondContact O-CG 3.08Å; P225-L227 VanDerWaalsContact C-N 3.32Å; P225-L227 PolarHBondContact O-N 3.36Å; P225-Y228 PolarHBondContact O-N 3.47Å; P225-A229 WeakPolarHBondContact O-CB 3.29Å; P225-A229 PolarHBondContact O-N 3.41Å |
| 226 | S | 83.2 | Confident | 84.6 | Confident | 63 Ų | 63 | 89.8 Ų | 89.8 | 44% | 0.441 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.2 | -34.2 | 179.5 | 71.5 | 0 | 0 | 0 | 0 | 112.1 | I222 N223 L224 K230 | I222-S226 WeakPolarHBondContact O-CB 3.14Å; I222-S226 PolarHBondContact O-N 3.2Å; I222-S226 PolarHBondContact O-OG 3.13Å; N223-S226 WeakPolarHBondContact CA-OG 3.47Å; N223-S226 PolarHBondContact O-N 3.42Å; N223-S226 PolarHBondContact O-OG 3.33Å; L224-S226 PolarHBondContact O-N 3.25Å; S226-K230 WeakPolarHBondContact O-CB 3.28Å; S226-K230 PolarHBondContact O-N 3.12Å |
| 227 | L | 80.1 | Confident | 83.4 | Confident | 34 Ų | 34 | 90 Ų | 90 | 18% | 0.178 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 171.9 | -71.5 | 171.2 | 0 | 0 | 0 | 111.8 | G79 N223 L224 P225 A229 K230 Q231 | G79-L227 VanDerWaalsContact O-CD1 3.31Å; G79-L227 WeakPolarHBondContact O-CD1 3.36Å; N223-L227 WeakPolarHBondContact O-CB 3.45Å; N223-L227 WeakPolarHBondContact O-CG 3.38Å; N223-L227 PolarHBondContact O-N 3.13Å; L224-L227 PolarHBondContact O-N 3.27Å; P225-L227 VanDerWaalsContact C-N 3.32Å; P225-L227 PolarHBondContact O-N 3.36Å; L227-A229 PolarHBondContact O-N 3.27Å; L227-K230 WeakPolarHBondContact O-CB 3.08Å; L227-K230 PolarHBondContact O-N 3.36Å; L227-Q231 WeakPolarHBondContact O-CG 3.44Å; L227-Q231 PolarHBondContact O-N 3.41Å |
| 228 | Y | 83.8 | Confident | 81.7 | Confident | 125 Ų | 125 | 87 Ų | 87 | 49% | 0.49 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 176.4 | -75.1 | -58.4 | 0 | 0 | 0 | 112.2 | L224 P225 K230 Q231 E232 | L224-Y228 HydrophobicContact CD1-CE2 4.39Å; L224-Y228 HydrophobicContact CD2-CD2 3.66Å; L224-Y228 HydrophobicContact CD2-CE2 3.42Å; L224-Y228 VanDerWaalsContact CD2-CE2 3.42Å; L224-Y228 HydrophobicContact CG-CD2 4.09Å; L224-Y228 HydrophobicContact CG-CE2 3.67Å; L224-Y228 WeakPolarHBondContact O-CD2 3.28Å; L224-Y228 PolarHBondContact O-N 2.88Å; L224-Y228 VanDerWaalsContact O-N 3.12Å; P225-Y228 PolarHBondContact O-N 3.47Å; Y228-K230 VanDerWaalsContact C-N 3.3Å; Y228-K230 PolarHBondContact O-N 3.45Å; Y228-Q231 WeakPolarHBondContact O-CB 3.34Å; Y228-Q231 PolarHBondContact O-N 3.35Å; Y228-Q231 VanDerWaalsContact O-N 3.13Å; Y228-E232 WeakPolarHBondContact O-CG 3.27Å; Y228-E232 PolarHBondContact O-N 3.49Å |
| 229 | A | 84.3 | Confident | 79.9 | Confident | 44 Ų | 44 | 87.5 Ų | 87.5 | 36% | 0.364 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P225 L227 E232 K233 | P225-A229 WeakPolarHBondContact O-CB 3.29Å; P225-A229 PolarHBondContact O-N 3.41Å; L227-A229 PolarHBondContact O-N 3.27Å; A229-E232 PolarHBondContact O-N 3.23Å; A229-K233 WeakPolarHBondContact O-CG 3.48Å; A229-K233 PolarHBondContact O-N 3.17Å |
| 230 | K | 82.6 | Confident | 78 | Confident | 100 Ų | 100 | 92.3 Ų | 92.3 | 44% | 0.435 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 174.5 | -169.1 | 177.4 | -176.9 | -179.4 | 0 | 111.6 | S226 L227 Y228 N234 | S226-K230 WeakPolarHBondContact O-CB 3.28Å; S226-K230 PolarHBondContact O-N 3.12Å; L227-K230 WeakPolarHBondContact O-CB 3.08Å; L227-K230 PolarHBondContact O-N 3.36Å; Y228-K230 VanDerWaalsContact C-N 3.3Å; Y228-K230 PolarHBondContact O-N 3.45Å; K230-N234 WeakPolarHBondContact O-CB 3.39Å; K230-N234 PolarHBondContact O-N 3.46Å; K230-N234 PolarHBondContact O-ND2 3.37Å |
| 231 | Q | 79.1 | Confident | 76 | Confident | 64 Ų | 64 | 95.2 Ų | 95.2 | 30% | 0.299 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 175.5 | -69.3 | 176.9 | 15.8 | 0 | 0 | 112.3 | L227 Y228 N234 K235 | L227-Q231 WeakPolarHBondContact O-CG 3.44Å; L227-Q231 PolarHBondContact O-N 3.41Å; Y228-Q231 WeakPolarHBondContact O-CB 3.34Å; Y228-Q231 PolarHBondContact O-N 3.35Å; Y228-Q231 VanDerWaalsContact O-N 3.13Å; Q231-N234 PolarHBondContact O-N 3.46Å; Q231-K235 WeakPolarHBondContact O-CG 3.49Å; Q231-K235 PolarHBondContact O-N 3.46Å |
| 232 | E | 81.5 | Confident | 73.7 | Confident | 117 Ų | 117 | 91 Ų | 91 | 55% | 0.547 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 176.9 | -71.9 | -172.5 | 162.4 | 0 | 0 | 112.1 | Y228 A229 N234 K235 Q236 | Y228-E232 WeakPolarHBondContact O-CG 3.27Å; Y228-E232 PolarHBondContact O-N 3.49Å; A229-E232 PolarHBondContact O-N 3.23Å; E232-N234 VanDerWaalsContact C-N 3.29Å; E232-N234 PolarHBondContact O-N 2.9Å; E232-K235 WeakPolarHBondContact O-CB 3.44Å; E232-K235 PolarHBondContact O-N 3.31Å; E232-Q236 WeakPolarHBondContact O-CG 3.13Å; E232-Q236 PolarHBondContact O-N 3.04Å |
| 233 | K | 82.5 | Confident | 71.1 | Confident | 147 Ų | 147 | 90.2 Ų | 90.2 | 64% | 0.639 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -58 | -42.4 | 173 | -73.6 | -179.8 | 179.7 | -175.4 | 0 | 111.8 | A229 K235 Q236 N237 | A229-K233 WeakPolarHBondContact O-CG 3.48Å; A229-K233 PolarHBondContact O-N 3.17Å; K233-K235 VanDerWaalsContact C-N 3.28Å; K233-K235 PolarHBondContact O-N 2.91Å; K233-Q236 PolarHBondContact O-N 3.47Å; K233-N237 PolarHBondContact O-N 3.41Å |
| 234 | N | 80.1 | Confident | 68.8 | Low | 91 Ų | 91 | 97.4 Ų | 97.4 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.6 | -27.9 | 176.6 | -71.3 | -13.7 | 0 | 0 | 0 | 113.2 | K230 Q231 E232 | K230-N234 WeakPolarHBondContact O-CB 3.39Å; K230-N234 PolarHBondContact O-N 3.46Å; K230-N234 PolarHBondContact O-ND2 3.37Å; Q231-N234 PolarHBondContact O-N 3.46Å; E232-N234 VanDerWaalsContact C-N 3.29Å; E232-N234 PolarHBondContact O-N 2.9Å |
| 235 | K | 78.3 | Confident | 66.3 | Low | 158 Ų | 158 | 99 Ų | 99 | 69% | 0.687 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -78.2 | -32.5 | 173.8 | -72.5 | 173.1 | -176.3 | 177.2 | 0 | 112.4 | Q231 E232 K233 | Q231-K235 WeakPolarHBondContact O-CG 3.49Å; Q231-K235 PolarHBondContact O-N 3.46Å; E232-K235 WeakPolarHBondContact O-CB 3.44Å; E232-K235 PolarHBondContact O-N 3.31Å; K233-K235 VanDerWaalsContact C-N 3.28Å; K233-K235 PolarHBondContact O-N 2.91Å |
| 236 | Q | 75.9 | Confident | 63.8 | Low | 144 Ų | 144 | 105.1 Ų | 105.1 | 67% | 0.673 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -76.8 | -29.2 | 178.5 | -70.7 | 175.5 | 9.9 | 0 | 0 | 112.6 | E232 K233 P238 | E232-Q236 WeakPolarHBondContact O-CG 3.13Å; E232-Q236 PolarHBondContact O-N 3.04Å; K233-Q236 PolarHBondContact O-N 3.47Å; Q236-P238 WeakPolarHBondContact O-CD 3.33Å |
| 237 | N | 68.1 | Low | 61.1 | Low | 100 Ų | 100 | 107.6 Ų | 107.6 | 54% | 0.535 | 56% | 0.559 | S | S | . | * | trans | -111.8 | 68.3 | 175.2 | -67.4 | -8.1 | 0 | 0 | 0 | 112.5 | K233 S239 | K233-N237 PolarHBondContact O-N 3.41Å; N237-S239 PolarHBondContact O-N 3.23Å | ||
| 238 | P | 56 | Low | 58.6 | Low | 82 Ų | 82 | 111 Ų | 111 | 53% | 0.532 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.2 | -17.8 | 173.2 | 28.8 | -31.2 | 0 | 0 | 0 | 112.8 | Q236 D240 K241 | Q236-P238 WeakPolarHBondContact O-CD 3.33Å; P238-D240 VanDerWaalsContact C-N 3.26Å; P238-D240 PolarHBondContact O-N 3.37Å; P238-K241 PolarHBondContact O-N 3.35Å |
| 239 | S | 51.8 | Low | 56 | Low | 69 Ų | 69 | 114.1 Ų | 114.1 | 48% | 0.483 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64 | -23.1 | -174.3 | 47.5 | 0 | 0 | 0 | 0 | 114.7 | N237 K241 S243 | N237-S239 PolarHBondContact O-N 3.23Å; S239-K241 VanDerWaalsContact C-N 3.29Å; S239-K241 PolarHBondContact O-N 2.64Å; S239-S243 PolarHBondContact O-N 3.26Å; S239-S243 PolarHBondContact O-OG 2.83Å |
| 240 | D | 51.6 | Low | 53.4 | Low | 110 Ų | 110 | 121.2 Ų | 121.2 | 59% | 0.588 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -79.6 | -10.9 | -179.7 | -68 | -19.9 | 0 | 0 | 0 | 113.5 | P238 | P238-D240 VanDerWaalsContact C-N 3.26Å; P238-D240 PolarHBondContact O-N 3.37Å |
| 241 | K | 48.1 | Very low | 50.8 | Low | 161 Ų | 161 | 119.3 Ų | 119.3 | 70% | 0.7 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -96.2 | -25.1 | 176.8 | -69.3 | -173.7 | -180 | 178.8 | 0 | 113.6 | P238 S239 | P238-K241 PolarHBondContact O-N 3.35Å; S239-K241 VanDerWaalsContact C-N 3.29Å; S239-K241 PolarHBondContact O-N 2.64Å |
| 242 | S | 39.2 | Very low | 48.7 | Very low | 84 Ų | 84 | 122.9 Ų | 122.9 | 59% | 0.587 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -97.2 | -19.5 | -177.8 | 57 | 0 | 0 | 0 | 0 | 114.6 | S245 | S242-S245 PolarHBondContact O-OG 2.84Å |
| 243 | S | 32.8 | Very low | 46.4 | Very low | 79 Ų | 79 | 124.6 Ų | 124.6 | 55% | 0.552 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -13.3 | -178.1 | 54.7 | 0 | 0 | 0 | 0 | 114.3 | S239 S245 | S239-S243 PolarHBondContact O-N 3.26Å; S239-S243 PolarHBondContact O-OG 2.83Å; S243-S245 VanDerWaalsContact C-N 3.31Å; S243-S245 PolarHBondContact O-N 3.4Å |
| 244 | K | 36.2 | Very low | 44.1 | Very low | 164 Ų | 164 | 125.7 Ų | 125.7 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 2.3 | 174.1 | -80.6 | -177.6 | 177.2 | 176.8 | 0 | 114.8 | ||
| 245 | S | 31.6 | Very low | 42.4 | Very low | 81 Ų | 81 | 126.5 Ų | 126.5 | 57% | 0.566 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -115.2 | 54.4 | 175.1 | 63.1 | 0 | 0 | 0 | 0 | 111.9 | S242 S243 | S242-S245 PolarHBondContact O-OG 2.84Å; S243-S245 VanDerWaalsContact C-N 3.31Å; S243-S245 PolarHBondContact O-N 3.4Å |
| 246 | H | 32.4 | Very low | 40.1 | Very low | 191 Ų | 191 | 125 Ų | 125 | 88% | 0.884 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 172.9 | 75.2 | 149.2 | -90.5 | -29.8 | 0 | 0 | 0 | 110.2 | ||
| 247 | S | 26.6 | Very low | 38.4 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | trans | -144.2 | 126.3 | 146.3 | 64 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 248 | S | 27.9 | Very low | 36.8 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 74% | 0.741 | 71% | 0.707 | S | S | * | * | trans | -67.1 | 144.5 | -176.8 | 46.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 249 | K | 28.5 | Very low | 35.6 | Very low | 189 Ų | 189 | 123.9 Ų | 123.9 | 82% | 0.822 | 71% | 0.708 | S | S | * | * | trans | 52.5 | 98.9 | 144.8 | -64.5 | -178.8 | 176.8 | -177.9 | 0 | 117.9 | ||||
| 250 | H | 30 | Very low | 35 | Very low | 193 Ų | 193 | 128.1 Ų | 128.1 | 89% | 0.894 | 73% | 0.726 | S | S | * | * | 157.2 | 133.3 | 122.8 | -99.9 | -77.8 | 0 | 0 | 0 | 111.1 | |||||
| 251 | G | 28.9 | Very low | 34.2 | Very low | 61 Ų | 61 | 129.8 Ų | 129.8 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | trans | 83.6 | 133.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | M253 | G251-M253 PolarHBondContact O-N 2.97Å; G251-M253 VanDerWaalsContact O-N 3.15Å | ||
| 252 | P | 35.6 | Very low | 33.9 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 90% | 0.896 | 74% | 0.741 | S | S | * | * | trans | -71.6 | 109.4 | 176.6 | 29.3 | -29.9 | 0 | 0 | 0 | 109.4 | L254 | P252-L254 PolarHBondContact O-N 3.22Å; P252-L254 VanDerWaalsContact O-N 3.16Å | ||
| 253 | M | 32.7 | Very low | 33.6 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | -71.7 | 103.5 | 177.7 | -171.5 | -177.6 | -175.5 | 0 | 0 | 109.3 | G251 L255 | G251-M253 PolarHBondContact O-N 2.97Å; G251-M253 VanDerWaalsContact O-N 3.15Å; M253-L255 PolarHBondContact O-N 2.82Å | ||
| 254 | L | 34.5 | Very low | 34.3 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 89% | 0.885 | 75% | 0.754 | S | S | * | * | trans | -66.2 | 116.2 | 161.9 | -154.8 | 99.4 | 0 | 0 | 0 | 106.6 | P252 D256 | P252-L254 PolarHBondContact O-N 3.22Å; P252-L254 VanDerWaalsContact O-N 3.16Å; L254-D256 PolarHBondContact O-N 3.34Å; L254-D256 VanDerWaalsContact O-N 3.16Å | ||
| 255 | L | 43.1 | Very low | 34.4 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 57% | 0.571 | 76% | 0.76 | S | S | * | * | trans | -74.2 | 104.7 | -173.9 | -168.1 | 74.1 | 0 | 0 | 0 | 109.1 | M253 L257 | M253-L255 PolarHBondContact O-N 2.82Å; L255-L257 PolarHBondContact O-N 3.12Å | ||
| 256 | D | 31 | Very low | 34.5 | Very low | 126 Ų | 126 | 136 Ų | 136 | 67% | 0.674 | 77% | 0.767 | S | S | * | * | trans | -58.5 | 126.1 | 174.4 | -170.3 | -0.9 | 0 | 0 | 0 | 110.2 | L254 A258 | L254-D256 PolarHBondContact O-N 3.34Å; L254-D256 VanDerWaalsContact O-N 3.16Å; D256-A258 PolarHBondContact OD1-N 3.38Å | ||
| 257 | L | 39.3 | Very low | 34.7 | Very low | 158 Ų | 158 | 133 Ų | 133 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | trans | -111.5 | 27.4 | -171.1 | -138.4 | 95.7 | 0 | 0 | 0 | 112.1 | L255 | L255-L257 PolarHBondContact O-N 3.12Š| ||
| 258 | A | 34.3 | Very low | 35.4 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -170.6 | 99.9 | 161 | 0 | 0 | 0 | 0 | 0 | 113.5 | D256 | D256-A258 PolarHBondContact OD1-N 3.38Š|
| 259 | G | 31 | Very low | 35.8 | Very low | 55 Ų | 55 | 135.3 Ų | 135.3 | 57% | 0.567 | 76% | 0.758 | S | S | * | * | trans | 115.4 | 136.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D261 | G259-D261 VanDerWaalsContact C-N 3.27Å; G259-D261 PolarHBondContact O-N 3.12Å | ||
| 260 | N | 39.9 | Very low | 36.2 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -89.3 | 33.4 | -176.4 | -85.5 | 12 | 0 | 0 | 0 | 113 | ||
| 261 | D | 34.3 | Very low | 36.3 | Very low | 146 Ų | 146 | 129.5 Ų | 129.5 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | trans | -108.5 | 93.2 | -177.4 | -71.4 | -29.2 | 0 | 0 | 0 | 110.2 | G259 E263 | G259-D261 VanDerWaalsContact C-N 3.27Å; G259-D261 PolarHBondContact O-N 3.12Å; D261-E263 PolarHBondContact O-N 3.27Å | ||
| 262 | D | 41.8 | Very low | 36.5 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | -71.7 | 29.3 | -173.9 | -62.7 | -25.4 | 0 | 0 | 0 | 115 | A264 | D262-A264 VanDerWaalsContact C-N 3.28Å; D262-A264 PolarHBondContact O-N 3.19Å | ||
| 263 | E | 34.3 | Very low | 36.4 | Very low | 140 Ų | 140 | 134 Ų | 134 | 65% | 0.654 | 76% | 0.755 | S | S | * | * | trans | -85.8 | 63.7 | -175.7 | -66.8 | -72.8 | 153.3 | 0 | 0 | 111.9 | D261 E265 | D261-E263 PolarHBondContact O-N 3.27Å; E263-E265 PolarHBondContact O-N 3.14Å; E263-E265 VanDerWaalsContact O-N 3.08Å | ||
| 264 | A | 47.2 | Very low | 36.5 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -65.6 | -4.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D262 | D262-A264 VanDerWaalsContact C-N 3.28Å; D262-A264 PolarHBondContact O-N 3.19Å |
| 265 | E | 37 | Very low | 36.3 | Very low | 181 Ų | 181 | 128.5 Ų | 128.5 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -80 | -14.1 | -179.9 | -68.3 | -167.1 | 167.1 | 0 | 0 | 113.8 | E263 | E263-E265 PolarHBondContact O-N 3.14Å; E263-E265 VanDerWaalsContact O-N 3.08Å |
| 266 | N | 34.1 | Very low | 35.6 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -114.6 | 18.2 | -173.1 | -71.2 | -52.8 | 0 | 0 | 0 | 115.4 | P268 | N266-P268 WeakPolarHBondContact O-CD 3.36Š|
| 267 | D | 37.8 | Very low | 35.3 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | trans | -76.3 | 118.7 | -179.6 | -151.3 | -7.9 | 0 | 0 | 0 | 111.4 | L269 | D267-L269 PolarHBondContact O-N 2.93Å; D267-L269 VanDerWaalsContact O-N 3.08Å | ||
| 268 | P | 40.5 | Very low | 34.8 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -80.6 | 22.1 | -169.7 | 29.7 | -32.4 | 0 | 0 | 0 | 115.8 | N266 | N266-P268 WeakPolarHBondContact O-CD 3.36Š|
| 269 | L | 35.3 | Very low | 34.5 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -132.5 | 72.3 | 177.2 | -75.7 | 161.6 | 0 | 0 | 0 | 112.5 | D267 | D267-L269 PolarHBondContact O-N 2.93Å; D267-L269 VanDerWaalsContact O-N 3.08Å | ||
| 270 | P | 38.1 | Very low | 34.6 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -80.7 | 147 | 162.7 | 35.5 | -29.7 | 0 | 0 | 0 | 109 | ||||
| 271 | D | 30.9 | Very low | 33.9 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | 80 | 75.9 | 175.5 | -76.2 | -13.9 | 0 | 0 | 0 | 118.1 | ||||
| 272 | V | 32.9 | Very low | 33.6 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 87% | 0.873 | 77% | 0.772 | S | S | * | * | trans | -136.5 | 73.1 | 139.2 | -167 | 0 | 0 | 0 | 0 | 109.7 | G274 | V272-G274 VanDerWaalsContact C-N 3.25Å; V272-G274 PolarHBondContact O-N 2.99Å | ||
| 273 | D | 34 | Very low | 33.1 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -70.5 | 82.6 | 165.3 | -84.3 | -18.8 | 0 | 0 | 0 | 109.7 | I275 | D273-I275 PolarHBondContact O-N 3.1Å; D273-I275 VanDerWaalsContact O-N 3.11Å | ||
| 274 | G | 34.3 | Very low | 32.8 | Very low | 64 Ų | 64 | 140 Ų | 140 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | trans | -74.7 | 90.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | V272 E276 | V272-G274 VanDerWaalsContact C-N 3.25Å; V272-G274 PolarHBondContact O-N 2.99Å; G274-E276 PolarHBondContact O-N 3Å | ||
| 275 | I | 30.9 | Very low | 32 | Very low | 144 Ų | 144 | 143.2 Ų | 143.2 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | -62.3 | 102.3 | 171.7 | -63.5 | 167.7 | 0 | 0 | 0 | 109.1 | D273 I277 | D273-I275 PolarHBondContact O-N 3.1Å; D273-I275 VanDerWaalsContact O-N 3.11Å; I275-I277 HydrophobicContact CG2-CG1 3.99Å; I275-I277 PolarHBondContact O-N 2.64Å; I275-I277 VanDerWaalsContact O-N 3.15Å | ||
| 276 | E | 29.3 | Very low | 31.6 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -70.4 | 101.9 | 163.5 | -80.1 | -170.8 | 162 | 0 | 0 | 109.3 | G274 R278 | G274-E276 PolarHBondContact O-N 3Å; E276-R278 PolarHBondContact O-N 2.88Å; E276-R278 VanDerWaalsContact O-N 3.13Å | ||
| 277 | I | 25 | Very low | 31.5 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | -73.8 | 102.2 | 170.2 | -56.5 | 174.6 | 0 | 0 | 0 | 107.6 | I275 | I275-I277 HydrophobicContact CG2-CG1 3.99Å; I275-I277 PolarHBondContact O-N 2.64Å; I275-I277 VanDerWaalsContact O-N 3.15Å | ||
| 278 | R | 28.4 | Very low | 31 | Very low | 217 Ų | 217 | 145.9 Ų | 145.9 | 82% | 0.819 | 80% | 0.798 | S | S | * | * | trans | -61.2 | 129.1 | 166.3 | -71.8 | -176.4 | 175.2 | -171 | -1.7 | 108.9 | E276 H280 | E276-R278 PolarHBondContact O-N 2.88Å; E276-R278 VanDerWaalsContact O-N 3.13Å; R278-H280 PolarHBondContact O-N 3.28Å | ||
| 279 | P | 28.2 | Very low | 30.4 | Very low | 124 Ų | 124 | 150.1 Ų | 150.1 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | trans | -63.8 | 137.9 | 179.4 | 25.7 | -30.8 | 0 | 0 | 0 | 109.7 | ||||
| 280 | H | 32.6 | Very low | 30 | Very low | 181 Ų | 181 | 149.1 Ų | 149.1 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | trans | -44.5 | 132.5 | -171.9 | -82.8 | -82.8 | 0 | 0 | 0 | 114.3 | R278 | R278-H280 PolarHBondContact O-N 3.28Š| ||
| 281 | S | 25.4 | Very low | 29.6 | Very low | 104 Ų | 104 | 150.9 Ų | 150.9 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -50.9 | 130.2 | 163.8 | 51.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 282 | D | 28.2 | Very low | 29.9 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -140.8 | 126.7 | 144.5 | -90 | -31.3 | 0 | 0 | 0 | 108.1 | ||||
| 283 | S | 31.1 | Very low | 29.9 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 97.5 | 104.6 | 168.7 | -36.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 284 | D | 28.6 | Very low | 30 | Very low | 155 Ų | 155 | 147.8 Ų | 147.8 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | -56.7 | 123.7 | 167 | -50.6 | -66.5 | 0 | 0 | 0 | 111.1 | ||||
| 285 | D | 30.6 | Very low | 30.1 | Very low | 157 Ų | 157 | 150.7 Ų | 150.7 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -145.9 | 114.1 | 147.6 | -93.7 | -36.9 | 0 | 0 | 0 | 106.9 | D287 | D285-D287 VanDerWaalsContact C-N 3.35Å; D285-D287 PolarHBondContact O-N 3.36Å | ||
| 286 | D | 28.6 | Very low | 30.5 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | trans | -66.1 | 84.4 | -179.9 | -69.2 | -56.2 | 0 | 0 | 0 | 110.7 | E288 | D286-E288 PolarHBondContact O-N 3.24Š| ||
| 287 | D | 30 | Very low | 31 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -84.9 | 96.5 | 161.6 | -80.9 | -30.1 | 0 | 0 | 0 | 108.8 | D285 F289 | D285-D287 VanDerWaalsContact C-N 3.35Å; D285-D287 PolarHBondContact O-N 3.36Å; D287-F289 PolarHBondContact O-N 3.41Å | ||
| 288 | E | 28 | Very low | 31.8 | Very low | 182 Ų | 182 | 139.3 Ų | 139.3 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | trans | -43.6 | 111.6 | 167.7 | -93.4 | -177.4 | 156.6 | 0 | 0 | 110.3 | D286 V290 | D286-E288 PolarHBondContact O-N 3.24Å; E288-V290 PolarHBondContact O-N 3.05Å | ||
| 289 | F | 27.5 | Very low | 32.3 | Very low | 202 Ų | 202 | 135 Ų | 135 | 89% | 0.886 | 73% | 0.726 | S | S | * | * | trans | -61.8 | 99.6 | 171.1 | -129.3 | -98.7 | 0 | 0 | 0 | 108.3 | D287 E291 | D287-F289 PolarHBondContact O-N 3.41Å; F289-E291 VanDerWaalsContact C-N 3.34Å; F289-E291 PolarHBondContact O-N 3.03Å | ||
| 290 | V | 27.2 | Very low | 32.7 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | trans | -68.9 | 97.4 | 172.8 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | E288 | E288-V290 PolarHBondContact O-N 3.05Š| ||
| 291 | E | 31 | Very low | 33.3 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 70% | 0.696 | 71% | 0.706 | S | S | * | * | trans | -51 | 137.2 | 174.9 | -122.7 | 179.7 | -179.1 | 0 | 0 | 111.2 | F289 K293 | F289-E291 VanDerWaalsContact C-N 3.34Å; F289-E291 PolarHBondContact O-N 3.03Å; E291-K293 PolarHBondContact O-N 2.93Å | ||
| 292 | S | 36 | Very low | 33.9 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 70% | 0.699 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -61.2 | 50.1 | -174.8 | 42.5 | 0 | 0 | 0 | 0 | 116.1 | D294 | S292-D294 VanDerWaalsContact C-N 3.28Å; S292-D294 PolarHBondContact O-N 2.79Å |
| 293 | K | 33.8 | Very low | 34.5 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 67% | 0.674 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -70.9 | -20.6 | 170.8 | -74.9 | 178.7 | 178.4 | 166.9 | 0 | 113.4 | E291 T296 S297 | E291-K293 PolarHBondContact O-N 2.93Å; K293-T296 PolarHBondContact O-OG1 3.23Å; K293-T296 VanDerWaalsContact O-OG1 3.13Å; K293-S297 PolarHBondContact O-N 3.01Å |
| 294 | D | 35.6 | Very low | 34.8 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 65% | 0.647 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -73.3 | -34.4 | -176.9 | -85.3 | -18 | 0 | 0 | 0 | 113.3 | S292 S297 I298 | S292-D294 VanDerWaalsContact C-N 3.28Å; S292-D294 PolarHBondContact O-N 2.79Å; D294-S297 PolarHBondContact O-N 2.97Å; D294-S297 PolarHBondContact O-OG 3.48Å; D294-I298 VanDerWaalsContact O-CG1 3.31Å; D294-I298 WeakPolarHBondContact O-CG1 3.15Å; D294-I298 PolarHBondContact O-N 3.22Å; D294-I298 VanDerWaalsContact O-N 3.09Å |
| 295 | L | 36.4 | Very low | 35.4 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 65% | 0.649 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -68.2 | -41.5 | -177.2 | -134.7 | 101.3 | 0 | 0 | 0 | 112.4 | S297 I298 Q299 | L295-S297 VanDerWaalsContact C-N 3.34Å; L295-I298 PolarHBondContact O-N 3.12Å; L295-Q299 PolarHBondContact O-N 3.27Å |
| 296 | T | 39.6 | Very low | 35.8 | Very low | 81 Ų | 81 | 126.8 Ų | 126.8 | 50% | 0.497 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -68.7 | -34.7 | 176 | 44.9 | 0 | 0 | 0 | 0 | 111.6 | K293 I298 Q299 N300 | K293-T296 PolarHBondContact O-OG1 3.23Å; K293-T296 VanDerWaalsContact O-OG1 3.13Å; T296-I298 PolarHBondContact O-N 3Å; T296-Q299 PolarHBondContact O-N 2.88Å; T296-N300 WeakPolarHBondContact O-CB 3.28Å; T296-N300 VanDerWaalsContact O-CG 3.31Å; T296-N300 PolarHBondContact O-N 3.32Å; T296-N300 PolarHBondContact O-ND2 3.28Å |
| 297 | S | 39.2 | Very low | 35.8 | Very low | 55 Ų | 55 | 123.3 Ų | 123.3 | 39% | 0.385 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -65 | -37.6 | 175.4 | 81.9 | 0 | 0 | 0 | 0 | 112.7 | K293 D294 L295 K301 | K293-S297 PolarHBondContact O-N 3.01Å; D294-S297 PolarHBondContact O-N 2.97Å; D294-S297 PolarHBondContact O-OG 3.48Å; L295-S297 VanDerWaalsContact C-N 3.34Å; S297-K301 WeakPolarHBondContact O-CB 3.44Å; S297-K301 PolarHBondContact O-N 3.26Å |
| 298 | I | 42.4 | Very low | 36 | Very low | 92 Ų | 92 | 122.1 Ų | 122.1 | 47% | 0.472 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -67.8 | -43.9 | 177.5 | -67.3 | 165.6 | 0 | 0 | 0 | 110.6 | D294 L295 T296 K301 F302 | D294-I298 VanDerWaalsContact O-CG1 3.31Å; D294-I298 WeakPolarHBondContact O-CG1 3.15Å; D294-I298 PolarHBondContact O-N 3.22Å; D294-I298 VanDerWaalsContact O-N 3.09Å; L295-I298 PolarHBondContact O-N 3.12Å; T296-I298 PolarHBondContact O-N 3Å; I298-K301 PolarHBondContact O-N 3.14Å; I298-F302 PolarHBondContact O-N 3.43Å; I298-F302 VanDerWaalsContact O-N 3.16Å |
| 299 | Q | 37.8 | Very low | 36.1 | Very low | 126 Ų | 126 | 120.1 Ų | 120.1 | 59% | 0.589 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -63.8 | -42.6 | 176 | -108 | 164.5 | -28.8 | 0 | 0 | 112.6 | L295 T296 K301 F302 Q303 | L295-Q299 PolarHBondContact O-N 3.27Å; T296-Q299 PolarHBondContact O-N 2.88Å; Q299-K301 PolarHBondContact O-N 2.8Å; Q299-F302 WeakPolarHBondContact O-CB 3.37Å; Q299-F302 PolarHBondContact O-N 3.3Å; Q299-Q303 PolarHBondContact O-N 3.26Å |
| 300 | N | 38 | Very low | 36.3 | Very low | 96 Ų | 96 | 116.2 Ų | 116.2 | 51% | 0.513 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.8 | -37.9 | 178 | -76.4 | -17.6 | 0 | 0 | 0 | 112.4 | T296 F302 Q303 Q304 | T296-N300 WeakPolarHBondContact O-CB 3.28Å; T296-N300 VanDerWaalsContact O-CG 3.31Å; T296-N300 PolarHBondContact O-N 3.32Å; T296-N300 PolarHBondContact O-ND2 3.28Å; N300-F302 VanDerWaalsContact C-N 3.28Å; N300-F302 PolarHBondContact O-N 3.22Å; N300-Q303 PolarHBondContact O-N 3.14Å; N300-Q304 PolarHBondContact O-N 3.49Å |
| 301 | K | 43.9 | Very low | 36.4 | Very low | 159 Ų | 159 | 116.3 Ų | 116.3 | 69% | 0.691 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.5 | -36.1 | 174.8 | -127.6 | 172.1 | -175.2 | 173.3 | 0 | 111.8 | S297 I298 Q299 S305 | S297-K301 WeakPolarHBondContact O-CB 3.44Å; S297-K301 PolarHBondContact O-N 3.26Å; I298-K301 PolarHBondContact O-N 3.14Å; Q299-K301 PolarHBondContact O-N 2.8Å; K301-S305 PolarHBondContact O-N 2.85Å; K301-S305 VanDerWaalsContact O-N 3.15Å; K301-S305 PolarHBondContact O-OG 2.95Å |
| 302 | F | 39.6 | Very low | 36.4 | Very low | 130 Ų | 130 | 114.3 Ų | 114.3 | 57% | 0.57 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.6 | -38 | 177.5 | -158.2 | -97.4 | 0 | 0 | 0 | 112.4 | I298 Q299 N300 S305 C306 | I298-F302 PolarHBondContact O-N 3.43Å; I298-F302 VanDerWaalsContact O-N 3.16Å; Q299-F302 WeakPolarHBondContact O-CB 3.37Å; Q299-F302 PolarHBondContact O-N 3.3Å; N300-F302 VanDerWaalsContact C-N 3.28Å; N300-F302 PolarHBondContact O-N 3.22Å; F302-S305 PolarHBondContact O-N 3.34Å; F302-S305 PolarHBondContact O-OG 3.33Å; F302-C306 PolarHBondContact O-N 2.79Å; F302-C306 PolarHBondContact O-SG 2.73Å; F302-C306 VanDerWaalsContact O-SG 3.37Å |
| 303 | Q | 40.1 | Very low | 36 | Very low | 117 Ų | 117 | 114.8 Ų | 114.8 | 55% | 0.547 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -66.6 | -40.3 | 173.7 | -100.9 | 171.9 | -37.5 | 0 | 0 | 112.3 | Q299 N300 S305 C306 S307 | Q299-Q303 PolarHBondContact O-N 3.26Å; N300-Q303 PolarHBondContact O-N 3.14Å; Q303-S305 PolarHBondContact O-N 3.01Å; Q303-C306 PolarHBondContact O-N 3.38Å; Q303-S307 PolarHBondContact O-N 3.26Å; Q303-S307 PolarHBondContact O-OG 2.94Å |
| 304 | Q | 36.6 | Very low | 35.8 | Very low | 153 Ų | 153 | 112.6 Ų | 112.6 | 72% | 0.715 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.1 | -34.4 | 176.1 | -83.3 | -178.7 | -18.1 | 0 | 0 | 113.4 | N300 C306 | N300-Q304 PolarHBondContact O-N 3.49Å; Q304-C306 VanDerWaalsContact C-N 3.35Å |
| 305 | S | 41.6 | Very low | 35.5 | Very low | 77 Ų | 77 | 113.1 Ų | 113.1 | 54% | 0.538 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -72.3 | -27.6 | 176.8 | 53.7 | 0 | 0 | 0 | 0 | 113.6 | K301 F302 Q303 | K301-S305 PolarHBondContact O-N 2.85Å; K301-S305 VanDerWaalsContact O-N 3.15Å; K301-S305 PolarHBondContact O-OG 2.95Å; F302-S305 PolarHBondContact O-N 3.34Å; F302-S305 PolarHBondContact O-OG 3.33Å; Q303-S305 PolarHBondContact O-N 3.01Å |
| 306 | C | 38.5 | Very low | 35.2 | Very low | 93 Ų | 93 | 114 Ų | 114 | 63% | 0.628 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -84.7 | -17.3 | 178.9 | -68.5 | 0 | 0 | 0 | 0 | 113.1 | F302 Q303 Q304 V308 | F302-C306 PolarHBondContact O-N 2.79Å; F302-C306 PolarHBondContact O-SG 2.73Å; F302-C306 VanDerWaalsContact O-SG 3.37Å; Q303-C306 PolarHBondContact O-N 3.38Å; Q304-C306 VanDerWaalsContact C-N 3.35Å; C306-V308 PolarHBondContact O-N 3.32Å |
| 307 | S | 29.6 | Very low | 34.6 | Very low | 89 Ų | 89 | 118 Ų | 118 | 62% | 0.622 | 67% | 0.668 | S | S | * | * | trans | -93.1 | 67.9 | 174.2 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | Q303 | Q303-S307 PolarHBondContact O-N 3.26Å; Q303-S307 PolarHBondContact O-OG 2.94Å | ||
| 308 | V | 33.8 | Very low | 34.4 | Very low | 127 Ų | 127 | 127.1 Ų | 127.1 | 77% | 0.77 | 71% | 0.713 | S | S | * | * | trans | -106.3 | 125.6 | 158.2 | -179 | 0 | 0 | 0 | 0 | 107.5 | C306 | C306-V308 PolarHBondContact O-N 3.32Š| ||
| 309 | D | 30.6 | Very low | 34 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | trans | -64 | 153.7 | -160.2 | -65.4 | -57.7 | 0 | 0 | 0 | 115.8 | ||||
| 310 | P | 31 | Very low | 33.8 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | trans | -68.1 | 137.8 | -178.7 | 27.7 | -33.4 | 0 | 0 | 0 | 111.8 | S312 | P310-S312 PolarHBondContact O-N 3.35Å; P310-S312 VanDerWaalsContact O-N 3.1Å | ||
| 311 | V | 30.4 | Very low | 33.6 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | trans | -45.5 | 115.8 | 173.2 | 177 | 0 | 0 | 0 | 0 | 110.1 | S313 | V311-S313 PolarHBondContact O-N 2.88Š| ||
| 312 | S | 29.4 | Very low | 32.9 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | -66.7 | 92.6 | 173.8 | 63 | 0 | 0 | 0 | 0 | 110 | P310 T314 | P310-S312 PolarHBondContact O-N 3.35Å; P310-S312 VanDerWaalsContact O-N 3.1Å; S312-T314 PolarHBondContact O-N 3.33Å | ||
| 313 | S | 28.1 | Very low | 32.5 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -78.7 | 94.5 | 158.1 | 51.8 | 0 | 0 | 0 | 0 | 108.1 | V311 | V311-S313 PolarHBondContact O-N 2.88Š| ||
| 314 | T | 29.8 | Very low | 32 | Very low | 110 Ų | 110 | 130 Ų | 130 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | trans | -155.5 | 114.7 | 163.8 | 4.4 | 0 | 0 | 0 | 0 | 111.6 | S312 | S312-T314 PolarHBondContact O-N 3.33Š| ||
| 315 | N | 29.1 | Very low | 31.7 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | 66 | 96.5 | 147.2 | -59.4 | -2 | 0 | 0 | 0 | 119.5 | ||||
| 316 | C | 30.8 | Very low | 30.9 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 97% | 0.966 | 80% | 0.795 | S | S | * | * | trans | -107.1 | 82.5 | 139.7 | -78.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 317 | E | 27.2 | Very low | 30.3 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 77% | 0.771 | 81% | 0.809 | S | S | * | * | trans | -107 | 110.2 | 157.5 | -82.2 | -175.3 | 147.1 | 0 | 0 | 107.6 | ||||
| 318 | N | 34 | Very low | 30.4 | Very low | 247 Ų | 247 | 139.8 Ų | 139.8 | 100% | 1.321 | 83% | 0.826 | S | S | * | * | trans | 177.8 | 0 | 139.1 | -94 | -15.4 | 0 | 0 | 0 | 109.3 |
Retrieved 318 of 318 residues in 168.8 ms
(Link to these results)