| 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 | 53.6 | Low | 46.4 | Very low | 163 Ų | 163 | 121.7 Ų | 121.7 | 80% | 0.803 | 59% | 0.591 | S | S | * | * | 0 | 128.7 | 0 | -74.9 | -179.2 | 175.4 | 0 | 0 | 110.4 | Q5 R6 | M1-Q5 HydrophobicContact CB-CB 4.39Å; M1-R6 HydrophobicContact CB-CG 4.16Å; M1-R6 PolarHBondContact O-NE 3Å; M1-R6 PolarHBondContact O-NH2 3.29Å | |||
| 2 | S | 60.5 | Low | 47.2 | Very low | 66 Ų | 66 | 124.3 Ų | 124.3 | 46% | 0.462 | 60% | 0.597 | S | S | . | * | trans | -65.5 | 156.8 | 176.8 | 72.4 | 0 | 0 | 0 | 0 | 111.2 | R4 Q5 R6 | S2-R4 PolarHBondContact O-N 3.36Å; S2-Q5 PolarHBondContact O-N 2.79Å; S2-Q5 PolarHBondContact OG-N 2.73Å; S2-R6 PolarHBondContact O-N 2.78Å | ||
| 3 | S | 51.9 | Low | 48.1 | Very low | 104 Ų | 104 | 121.6 Ų | 121.6 | 73% | 0.727 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -54.4 | -34.1 | 178.1 | 50.3 | 0 | 0 | 0 | 0 | 112.7 | R6 G7 | S3-R6 PolarHBondContact O-N 2.77Å; S3-G7 PolarHBondContact O-N 3.28Å |
| 4 | R | 42.8 | Very low | 48.7 | Very low | 206 Ų | 206 | 117.3 Ų | 117.3 | 78% | 0.777 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.4 | -35.9 | 176.5 | -144.9 | 174.2 | -173.4 | -176.9 | 1.9 | 113.2 | S2 N8 | S2-R4 PolarHBondContact O-N 3.36Å; R4-N8 PolarHBondContact O-N 3.36Å; R4-N8 VanDerWaalsContact O-N 3.15Å |
| 5 | Q | 37.9 | Very low | 49.2 | Very low | 113 Ų | 113 | 116.6 Ų | 116.6 | 53% | 0.528 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.1 | -37.8 | 173.3 | -76.5 | 178.2 | -24.3 | 0 | 0 | 112.1 | M1 S2 F9 | M1-Q5 HydrophobicContact CB-CB 4.39Å; S2-Q5 PolarHBondContact O-N 2.79Å; S2-Q5 PolarHBondContact OG-N 2.73Å; Q5-F9 WeakPolarHBondContact O-CB 2.95Å; Q5-F9 PolarHBondContact O-N 3.41Å |
| 6 | R | 42.4 | Very low | 49.8 | Very low | 149 Ų | 149 | 116.5 Ų | 116.5 | 56% | 0.562 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.5 | -40.9 | 174.2 | -83.4 | -175.7 | -98.2 | -176.8 | -6.5 | 112.3 | M1 S2 S3 F9 N10 | M1-R6 HydrophobicContact CB-CG 4.16Å; M1-R6 PolarHBondContact O-NE 3Å; M1-R6 PolarHBondContact O-NH2 3.29Å; S2-R6 PolarHBondContact O-N 2.78Å; S3-R6 PolarHBondContact O-N 2.77Å; R6-F9 PolarHBondContact O-N 3.08Å; R6-N10 PolarHBondContact O-N 3.04Å |
| 7 | G | 35 | Very low | 50.8 | Low | 28 Ų | 28 | 112.9 Ų | 112.9 | 29% | 0.289 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -58 | -53.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S3 F9 N10 Y11 | S3-G7 PolarHBondContact O-N 3.28Å; G7-F9 VanDerWaalsContact C-N 3.27Å; G7-F9 PolarHBondContact O-N 3.36Å; G7-N10 PolarHBondContact O-N 2.81Å; G7-Y11 WeakPolarHBondContact O-CD2 3.39Å; G7-Y11 PolarHBondContact O-N 2.83Å |
| 8 | N | 41.9 | Very low | 51.8 | Low | 109 Ų | 109 | 109.6 Ų | 109.6 | 58% | 0.583 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62 | -31.6 | 179 | -81.9 | -0.6 | 0 | 0 | 0 | 113.9 | R4 K12 | R4-N8 PolarHBondContact O-N 3.36Å; R4-N8 VanDerWaalsContact O-N 3.15Å; N8-K12 WeakPolarHBondContact O-CG 3.47Å; N8-K12 PolarHBondContact O-N 2.9Å |
| 9 | F | 49.1 | Very low | 52.8 | Low | 118 Ų | 118 | 105.3 Ų | 105.3 | 52% | 0.518 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.1 | -45.2 | 176.4 | -174 | -103.7 | 0 | 0 | 0 | 111.9 | Q5 R6 G7 Y11 K12 L13 | Q5-F9 WeakPolarHBondContact O-CB 2.95Å; Q5-F9 PolarHBondContact O-N 3.41Å; R6-F9 PolarHBondContact O-N 3.08Å; G7-F9 VanDerWaalsContact C-N 3.27Å; G7-F9 PolarHBondContact O-N 3.36Å; F9-Y11 PolarHBondContact O-N 2.82Å; F9-K12 PolarHBondContact O-N 2.73Å; F9-L13 HydrophobicContact CD1-CD1 3.57Å; F9-L13 HydrophobicContact CE1-CD1 3.25Å; F9-L13 HydrophobicContact CE1-CG 4.37Å; F9-L13 HydrophobicContact CG-CD1 4.36Å; F9-L13 HydrophobicContact CZ-CD1 3.79Å; F9-L13 PolarHBondContact O-N 3.09Å |
| 10 | N | 44.6 | Very low | 53.9 | Low | 102 Ų | 102 | 101.9 Ų | 101.9 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -38 | 178.1 | -70.6 | -10.6 | 0 | 0 | 0 | 112.2 | R6 G7 L13 A14 | R6-N10 PolarHBondContact O-N 3.04Å; G7-N10 PolarHBondContact O-N 2.81Å; N10-L13 PolarHBondContact O-N 2.59Å; N10-A14 WeakPolarHBondContact O-CB 3.48Å; N10-A14 PolarHBondContact O-N 3.15Å |
| 11 | Y | 51 | Low | 55.1 | Low | 181 Ų | 181 | 100.9 Ų | 100.9 | 71% | 0.71 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.3 | -42.6 | 173.5 | -83.5 | -71.4 | 0 | 0 | 0 | 112.5 | G7 F9 L13 A14 F15 | G7-Y11 WeakPolarHBondContact O-CD2 3.39Å; G7-Y11 PolarHBondContact O-N 2.83Å; F9-Y11 PolarHBondContact O-N 2.82Å; Y11-L13 VanDerWaalsContact C-N 3.34Å; Y11-L13 PolarHBondContact O-N 3.05Å; Y11-A14 PolarHBondContact O-N 3.23Å; Y11-F15 VanDerWaalsContact O-CB 3.27Å; Y11-F15 WeakPolarHBondContact O-CB 3.45Å; Y11-F15 PolarHBondContact O-N 2.74Å |
| 12 | K | 55.6 | Low | 56.5 | Low | 153 Ų | 153 | 95.5 Ų | 95.5 | 67% | 0.665 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.7 | -37 | 176.6 | -78.5 | -176.2 | 176.6 | -172.8 | 0 | 112.6 | N8 F9 K16 | N8-K12 WeakPolarHBondContact O-CG 3.47Å; N8-K12 PolarHBondContact O-N 2.9Å; F9-K12 PolarHBondContact O-N 2.73Å; K12-K16 WeakPolarHBondContact O-CB 3.34Å; K12-K16 WeakPolarHBondContact O-CG 3.5Å; K12-K16 PolarHBondContact O-N 3.06Å |
| 13 | L | 58.8 | Low | 57.7 | Low | 89 Ų | 89 | 92.5 Ų | 92.5 | 47% | 0.466 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.5 | -47.8 | 175.8 | -82.1 | 161.9 | 0 | 0 | 0 | 111.9 | F9 N10 Y11 F15 K16 S17 | F9-L13 HydrophobicContact CD1-CD1 3.57Å; F9-L13 HydrophobicContact CE1-CD1 3.25Å; F9-L13 HydrophobicContact CE1-CG 4.37Å; F9-L13 HydrophobicContact CG-CD1 4.36Å; F9-L13 HydrophobicContact CZ-CD1 3.79Å; F9-L13 PolarHBondContact O-N 3.09Å; N10-L13 PolarHBondContact O-N 2.59Å; Y11-L13 VanDerWaalsContact C-N 3.34Å; Y11-L13 PolarHBondContact O-N 3.05Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-F15 PolarHBondContact O-N 2.7Å; L13-K16 PolarHBondContact O-N 2.87Å; L13-S17 PolarHBondContact O-N 3.47Å |
| 14 | A | 56.5 | Low | 59.5 | Low | 61 Ų | 61 | 87.9 Ų | 87.9 | 50% | 0.504 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | N10 Y11 S17 A18 | N10-A14 WeakPolarHBondContact O-CB 3.48Å; N10-A14 PolarHBondContact O-N 3.15Å; Y11-A14 PolarHBondContact O-N 3.23Å; A14-S17 WeakPolarHBondContact O-CB 3.4Å; A14-S17 PolarHBondContact O-N 3.37Å; A14-A18 PolarHBondContact O-N 3.24Å |
| 15 | F | 56.3 | Low | 61.7 | Low | 107 Ų | 107 | 81 Ų | 81 | 47% | 0.469 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 176.2 | -174.8 | -102.8 | 0 | 0 | 0 | 112.5 | Y11 L13 S17 A18 I19 | Y11-F15 VanDerWaalsContact O-CB 3.27Å; Y11-F15 WeakPolarHBondContact O-CB 3.45Å; Y11-F15 PolarHBondContact O-N 2.74Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-F15 PolarHBondContact O-N 2.7Å; F15-S17 VanDerWaalsContact C-N 3.34Å; F15-A18 PolarHBondContact O-N 3.33Å; F15-I19 HydrophobicContact CD1-CD1 3.78Å; F15-I19 HydrophobicContact CE1-CD1 3.25Å; F15-I19 HydrophobicContact CE1-CG1 4.37Å; F15-I19 HydrophobicContact CE2-CD1 4.33Å; F15-I19 HydrophobicContact CZ-CD1 3.58Å; F15-I19 HydrophobicContact CZ-CG1 4.44Å; F15-I19 WeakPolarHBondContact O-CG1 3.47Å; F15-I19 PolarHBondContact O-N 2.74Å; F15-I19 VanDerWaalsContact O-N 3.12Å |
| 16 | K | 59.5 | Low | 64.3 | Low | 115 Ų | 115 | 75.8 Ų | 75.8 | 50% | 0.5 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 173.1 | -80.2 | -174.2 | 172.8 | -162.7 | 0 | 112.1 | K12 L13 I19 M20 | K12-K16 WeakPolarHBondContact O-CB 3.34Å; K12-K16 WeakPolarHBondContact O-CG 3.5Å; K12-K16 PolarHBondContact O-N 3.06Å; L13-K16 PolarHBondContact O-N 2.87Å; K16-I19 PolarHBondContact O-N 2.96Å; K16-M20 HydrophobicContact CB-CE 4.43Å; K16-M20 WeakPolarHBondContact O-CE 3.28Å; K16-M20 WeakPolarHBondContact O-CG 2.95Å; K16-M20 PolarHBondContact O-N 3.06Å |
| 17 | S | 67 | Low | 66.7 | Low | 55 Ų | 55 | 68.9 Ų | 68.9 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.9 | -51 | 176.3 | -163.8 | 0 | 0 | 0 | 0 | 111 | L13 A14 F15 I19 M20 D21 | L13-S17 PolarHBondContact O-N 3.47Å; A14-S17 WeakPolarHBondContact O-CB 3.4Å; A14-S17 PolarHBondContact O-N 3.37Å; F15-S17 VanDerWaalsContact C-N 3.34Å; S17-I19 VanDerWaalsContact C-N 3.35Å; S17-I19 PolarHBondContact O-N 2.79Å; S17-M20 PolarHBondContact O-N 2.79Å; S17-M20 VanDerWaalsContact O-N 3.07Å; S17-D21 VanDerWaalsContact O-CG 3.27Å; S17-D21 PolarHBondContact O-N 2.93Å |
| 18 | A | 67.2 | Low | 69.6 | Low | 53 Ų | 53 | 67.6 Ų | 67.6 | 44% | 0.438 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.4 | -39.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A14 F15 D21 V22 | A14-A18 PolarHBondContact O-N 3.24Å; F15-A18 PolarHBondContact O-N 3.33Å; A18-D21 PolarHBondContact O-N 2.82Å; A18-V22 WeakPolarHBondContact O-CG2 3.26Å; A18-V22 PolarHBondContact O-N 3.03Å; A18-V22 VanDerWaalsContact O-N 3.14Å |
| 19 | I | 71.9 | Confident | 72.1 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 14% | 0.144 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 174.8 | -71.2 | 175.1 | 0 | 0 | 0 | 111.3 | F15 K16 S17 L23 G90 | F15-I19 HydrophobicContact CD1-CD1 3.78Å; F15-I19 HydrophobicContact CE1-CD1 3.25Å; F15-I19 HydrophobicContact CE1-CG1 4.37Å; F15-I19 HydrophobicContact CE2-CD1 4.33Å; F15-I19 HydrophobicContact CZ-CD1 3.58Å; F15-I19 HydrophobicContact CZ-CG1 4.44Å; F15-I19 WeakPolarHBondContact O-CG1 3.47Å; F15-I19 PolarHBondContact O-N 2.74Å; F15-I19 VanDerWaalsContact O-N 3.12Å; K16-I19 PolarHBondContact O-N 2.96Å; S17-I19 VanDerWaalsContact C-N 3.35Å; S17-I19 PolarHBondContact O-N 2.79Å; I19-L23 WeakPolarHBondContact O-CB 3.35Å; I19-L23 PolarHBondContact O-N 2.63Å; I19-G90 VanDerWaalsContact CG2-CA 3.43Å |
| 20 | M | 75.5 | Confident | 74.3 | Confident | 38 Ų | 38 | 57.6 Ų | 57.6 | 19% | 0.187 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 178.1 | -73.2 | -175 | -66 | 0 | 0 | 111.9 | K16 S17 L23 A24 T383 | K16-M20 HydrophobicContact CB-CE 4.43Å; K16-M20 WeakPolarHBondContact O-CE 3.28Å; K16-M20 WeakPolarHBondContact O-CG 2.95Å; K16-M20 PolarHBondContact O-N 3.06Å; S17-M20 PolarHBondContact O-N 2.79Å; S17-M20 VanDerWaalsContact O-N 3.07Å; M20-L23 PolarHBondContact O-N 2.86Å; M20-A24 WeakPolarHBondContact O-CB 3.2Å; M20-A24 PolarHBondContact O-N 2.79Å; M20-T383 HydrophobicContact SD-CG2 4.12Å |
| 21 | D | 78.4 | Confident | 76.7 | Confident | 81 Ų | 81 | 52.8 Ų | 52.8 | 43% | 0.433 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 177.3 | -63.4 | -29.6 | 0 | 0 | 0 | 111.4 | S17 A18 L23 A24 E25 | S17-D21 VanDerWaalsContact O-CG 3.27Å; S17-D21 PolarHBondContact O-N 2.93Å; A18-D21 PolarHBondContact O-N 2.82Å; D21-L23 VanDerWaalsContact C-N 3.34Å; D21-L23 PolarHBondContact O-N 3.09Å; D21-A24 PolarHBondContact O-N 3.21Å; D21-E25 PolarHBondContact O-N 2.56Å |
| 22 | V | 83.1 | Confident | 78.9 | Confident | 49 Ų | 49 | 44.3 Ų | 44.3 | 30% | 0.297 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.5 | -41.2 | 175.6 | 167.4 | 0 | 0 | 0 | 0 | 111.8 | A18 E25 A26 | A18-V22 WeakPolarHBondContact O-CG2 3.26Å; A18-V22 PolarHBondContact O-N 3.03Å; A18-V22 VanDerWaalsContact O-N 3.14Å; V22-E25 PolarHBondContact O-N 3.26Å; V22-A26 WeakPolarHBondContact O-CB 3.29Å; V22-A26 PolarHBondContact O-N 3.01Å |
| 23 | L | 86.1 | Confident | 80.7 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.2 | -37 | 176.9 | -177.2 | 61.4 | 0 | 0 | 0 | 111.9 | I19 M20 D21 A26 N27 I87 F91 L94 | I19-L23 WeakPolarHBondContact O-CB 3.35Å; I19-L23 PolarHBondContact O-N 2.63Å; M20-L23 PolarHBondContact O-N 2.86Å; D21-L23 VanDerWaalsContact C-N 3.34Å; D21-L23 PolarHBondContact O-N 3.09Å; L23-A26 PolarHBondContact O-N 3.12Å; L23-N27 WeakPolarHBondContact O-CB 3.46Å; L23-N27 PolarHBondContact O-N 3.32Å; L23-I87 HydrophobicContact CD1-CD1 3.74Å; L23-I87 HydrophobicContact CD1-CG1 4.49Å; L23-F91 HydrophobicContact CD1-CD1 4.18Å; L23-F91 HydrophobicContact CD1-CD2 4.2Å; L23-F91 HydrophobicContact CD1-CE1 3.74Å; L23-F91 HydrophobicContact CD1-CE2 3.73Å; L23-F91 HydrophobicContact CD1-CG 4.42Å; L23-F91 HydrophobicContact CD1-CZ 3.51Å; L23-F91 HydrophobicContact CD2-CD1 3.95Å; L23-F91 HydrophobicContact CD2-CE1 4.24Å; L23-F91 HydrophobicContact CD2-CG 4.19Å; L23-F91 HydrophobicContact CG-CE1 4.44Å; L23-L94 HydrophobicContact CD2-CB 4.01Å; L23-L94 HydrophobicContact CD2-CD2 3.65Å; L23-L94 HydrophobicContact CD2-CG 4.47Å; L23-L94 HydrophobicContact CG-CD2 4.29Å |
| 24 | A | 88 | Confident | 82.4 | Confident | 7 Ų | 7 | 36.1 Ų | 36.1 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | M20 D21 G28 | M20-A24 WeakPolarHBondContact O-CB 3.2Å; M20-A24 PolarHBondContact O-N 2.79Å; D21-A24 PolarHBondContact O-N 3.21Å; A24-G28 PolarHBondContact O-N 2.83Å |
| 25 | E | 90.8 | Very high | 84.3 | Confident | 63 Ų | 63 | 33.3 Ų | 33.3 | 29% | 0.294 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.1 | -46.9 | 173.4 | 177.7 | 179 | 168.8 | 0 | 0 | 112.4 | D21 V22 G28 T29 K80 Y269 | D21-E25 PolarHBondContact O-N 2.56Å; V22-E25 PolarHBondContact O-N 3.26Å; E25-G28 PolarHBondContact O-N 3.16Å; E25-T29 VanDerWaalsContact O-CB 3.32Å; E25-T29 WeakPolarHBondContact O-CB 3.43Å; E25-T29 PolarHBondContact O-N 2.89Å; E25-T29 PolarHBondContact O-OG1 3.45Å; E25-K80 IonicContact OE1-NZ 3.34Å; E25-Y269 VanDerWaalsContact CA-CE1 3.4Å; E25-Y269 VanDerWaalsContact CA-CZ 3.42Å; E25-Y269 HydrophobicContact CB-CD1 3.98Å; E25-Y269 HydrophobicContact CB-CE1 3.49Å; E25-Y269 VanDerWaalsContact CB-CE1 3.49Å; E25-Y269 HydrophobicContact CG-CD1 3.61Å; E25-Y269 HydrophobicContact CG-CE1 3.66Å; E25-Y269 HydrophobicContact CG-CG 4.46Å; E25-Y269 PolarHBondContact N-OH 3.34Å |
| 26 | A | 91.8 | Very high | 86 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 2% | 0.017 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.1 | -49.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V22 L23 G28 T29 F30 F78 | V22-A26 WeakPolarHBondContact O-CB 3.29Å; V22-A26 PolarHBondContact O-N 3.01Å; L23-A26 PolarHBondContact O-N 3.12Å; A26-G28 PolarHBondContact O-N 2.95Å; A26-T29 PolarHBondContact O-N 3.46Å; A26-F30 WeakPolarHBondContact O-CB 3.22Å; A26-F30 PolarHBondContact O-N 2.9Å; A26-F78 HydrophobicContact CB-CD1 4.11Å; A26-F78 HydrophobicContact CB-CE1 4.49Å |
| 27 | N | 93.3 | Very high | 87.6 | Confident | 5 Ų | 5 | 27.1 Ų | 27.1 | 3% | 0.027 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 176.7 | 175.8 | 68.4 | 0 | 0 | 0 | 112.2 | L23 F30 A31 P50 M51 S54 I386 | L23-N27 WeakPolarHBondContact O-CB 3.46Å; L23-N27 PolarHBondContact O-N 3.32Å; N27-F30 PolarHBondContact O-N 2.87Å; N27-A31 VanDerWaalsContact O-CB 3.22Å; N27-A31 WeakPolarHBondContact O-CB 3.37Å; N27-A31 PolarHBondContact O-N 2.69Å; N27-P50 PolarHBondContact OD1-O 2.98Å; N27-M51 WeakPolarHBondContact OD1-CA 3.28Å; N27-M51 PolarHBondContact OD1-N 2.89Å; N27-M51 VanDerWaalsContact OD1-N 3.09Å; N27-S54 PolarHBondContact OD1-OG 2.99Å; N27-I386 PolarHBondContact ND2-O 3.01Å |
| 28 | G | 94.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68 | -40.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A24 E25 A26 A31 L32 | A24-G28 PolarHBondContact O-N 2.83Å; E25-G28 PolarHBondContact O-N 3.16Å; A26-G28 PolarHBondContact O-N 2.95Å; G28-A31 WeakPolarHBondContact O-CB 3.42Å; G28-A31 PolarHBondContact O-N 3.2Å; G28-L32 WeakPolarHBondContact O-CG 3.47Å; G28-L32 PolarHBondContact O-N 2.6Å |
| 29 | T | 95.2 | Very high | 89.8 | Confident | 17 Ų | 17 | 23.4 Ų | 23.4 | 10% | 0.104 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.9 | -47.1 | 173.2 | -58 | 0 | 0 | 0 | 0 | 110.8 | E25 A26 A31 L32 N33 S77 | E25-T29 VanDerWaalsContact O-CB 3.32Å; E25-T29 WeakPolarHBondContact O-CB 3.43Å; E25-T29 PolarHBondContact O-N 2.89Å; E25-T29 PolarHBondContact O-OG1 3.45Å; A26-T29 PolarHBondContact O-N 3.46Å; T29-A31 VanDerWaalsContact C-N 3.34Å; T29-A31 PolarHBondContact O-N 2.84Å; T29-L32 PolarHBondContact O-N 2.74Å; T29-N33 WeakPolarHBondContact O-CB 3.31Å; T29-N33 PolarHBondContact O-N 2.83Å; T29-N33 VanDerWaalsContact O-N 3.12Å; T29-N33 PolarHBondContact O-ND2 3.14Å; T29-S77 WeakPolarHBondContact CG2-OG 3.39Å |
| 30 | F | 95.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.4 | -45 | 175.1 | 172.5 | -111.4 | 0 | 0 | 0 | 111.7 | A26 N27 L32 N33 L34 P50 M53 S54 L57 I75 L76 | A26-F30 WeakPolarHBondContact O-CB 3.22Å; A26-F30 PolarHBondContact O-N 2.9Å; N27-F30 PolarHBondContact O-N 2.87Å; F30-L32 PolarHBondContact O-N 2.98Å; F30-N33 PolarHBondContact O-N 2.75Å; F30-L34 HydrophobicContact CE1-CD2 4.1Å; F30-L34 HydrophobicContact CZ-CD2 3.87Å; F30-L34 VanDerWaalsContact O-CB 3.28Å; F30-L34 WeakPolarHBondContact O-CB 3.38Å; F30-L34 PolarHBondContact O-N 2.81Å; F30-P50 HydrophobicContact CD1-CB 4.31Å; F30-M53 HydrophobicContact CE1-CB 4.07Å; F30-M53 HydrophobicContact CZ-CE 4.26Å; F30-S54 WeakPolarHBondContact CD1-OG 3.19Å; F30-L57 HydrophobicContact CZ-CD1 4.13Å; F30-I75 HydrophobicContact CD2-CG2 4.18Å; F30-I75 WeakPolarHBondContact CD2-O 3.49Å; F30-I75 HydrophobicContact CE2-CG2 4.01Å; F30-L76 HydrophobicContact CD2-CD2 4.24Å; F30-L76 HydrophobicContact CE2-CD2 4.19Å; F30-L76 HydrophobicContact CG-CD2 4.43Å; F30-L76 HydrophobicContact CZ-CD2 4.33Å |
| 31 | A | 96.1 | Very high | 91 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.3 | -49.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N27 G28 T29 L34 L35 F48 P50 I386 | N27-A31 VanDerWaalsContact O-CB 3.22Å; N27-A31 WeakPolarHBondContact O-CB 3.37Å; N27-A31 PolarHBondContact O-N 2.69Å; G28-A31 WeakPolarHBondContact O-CB 3.42Å; G28-A31 PolarHBondContact O-N 3.2Å; T29-A31 VanDerWaalsContact C-N 3.34Å; T29-A31 PolarHBondContact O-N 2.84Å; A31-L34 PolarHBondContact O-N 2.84Å; A31-L35 WeakPolarHBondContact O-CB 3.34Å; A31-L35 PolarHBondContact O-N 3.14Å; A31-F48 WeakPolarHBondContact O-CZ 3.47Å; A31-P50 HydrophobicContact CB-CB 3.36Å; A31-P50 HydrophobicContact CB-CG 3.51Å; A31-I386 HydrophobicContact CB-CD1 4.47Å |
| 32 | L | 95.8 | Very high | 91.1 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -72.1 | -36.3 | -176.2 | -63.3 | 176.8 | 0 | 0 | 0 | 112.1 | G28 T29 F30 L34 L35 K36 L267 T268 F272 F377 | G28-L32 WeakPolarHBondContact O-CG 3.47Å; G28-L32 PolarHBondContact O-N 2.6Å; T29-L32 PolarHBondContact O-N 2.74Å; F30-L32 PolarHBondContact O-N 2.98Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L35 PolarHBondContact O-N 3.41Å; L32-K36 VanDerWaalsContact O-CG 3.3Å; L32-K36 WeakPolarHBondContact O-CG 3.45Å; L32-K36 PolarHBondContact O-N 2.84Å; L32-K36 VanDerWaalsContact O-N 3.08Å; L32-L267 HydrophobicContact CD1-CG 4.13Å; L32-L267 HydrophobicContact CD2-CD2 3.52Å; L32-L267 HydrophobicContact CD2-CG 3.79Å; L32-T268 WeakPolarHBondContact CD1-O 3.48Å; L32-F272 HydrophobicContact CD1-CB 4.13Å; L32-F377 HydrophobicContact CD2-CE1 3.97Å; L32-F377 HydrophobicContact CD2-CZ 4.29Å |
| 33 | N | 94.4 | Very high | 91 | Very high | 69 Ų | 69 | 30.2 Ų | 30.2 | 37% | 0.369 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -64.8 | -39.6 | 172.6 | -72.9 | -20.7 | 0 | 0 | 0 | 111.9 | T29 F30 T37 | T29-N33 WeakPolarHBondContact O-CB 3.31Å; T29-N33 PolarHBondContact O-N 2.83Å; T29-N33 VanDerWaalsContact O-N 3.12Å; T29-N33 PolarHBondContact O-ND2 3.14Å; F30-N33 PolarHBondContact O-N 2.75Å; N33-T37 WeakPolarHBondContact O-CB 3.44Å; N33-T37 PolarHBondContact O-N 3.45Å; N33-T37 VanDerWaalsContact O-N 3.1Å; N33-T37 PolarHBondContact O-OG1 2.78Å |
| 34 | L | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.2 | -41.1 | 177.1 | -176.8 | 57.5 | 0 | 0 | 0 | 111.5 | F30 A31 L32 K36 T37 L38 F48 M53 M301 V304 L308 | F30-L34 HydrophobicContact CE1-CD2 4.1Å; F30-L34 HydrophobicContact CZ-CD2 3.87Å; F30-L34 VanDerWaalsContact O-CB 3.28Å; F30-L34 WeakPolarHBondContact O-CB 3.38Å; F30-L34 PolarHBondContact O-N 2.81Å; A31-L34 PolarHBondContact O-N 2.84Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.32Å; L34-T37 PolarHBondContact O-N 2.78Å; L34-L38 HydrophobicContact CD1-CD1 3.8Å; L34-L38 HydrophobicContact CD1-CD2 4.3Å; L34-L38 HydrophobicContact CD1-CG 3.75Å; L34-L38 HydrophobicContact CD2-CD1 4.34Å; L34-L38 HydrophobicContact CG-CD1 3.78Å; L34-L38 HydrophobicContact CG-CG 4.15Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 2.83Å; L34-F48 HydrophobicContact CB-CE2 3.94Å; L34-F48 HydrophobicContact CB-CZ 3.97Å; L34-F48 HydrophobicContact CD2-CD2 3.57Å; L34-F48 HydrophobicContact CD2-CE2 3.45Å; L34-F48 VanDerWaalsContact CD2-CE2 3.45Å; L34-F48 HydrophobicContact CD2-CG 4.32Å; L34-F48 HydrophobicContact CD2-CZ 4.12Å; L34-F48 HydrophobicContact CG-CD2 4.21Å; L34-F48 HydrophobicContact CG-CE1 4.46Å; L34-F48 HydrophobicContact CG-CE2 3.75Å; L34-F48 HydrophobicContact CG-CZ 3.89Å; L34-M53 HydrophobicContact CD2-CE 3.4Å; L34-M53 HydrophobicContact CD2-SD 3.63Å; L34-M301 HydrophobicContact CD1-CE 3.87Å; L34-M301 HydrophobicContact CD2-CE 4.41Å; L34-V304 HydrophobicContact CD1-CG1 3.57Å; L34-L308 HydrophobicContact CD1-CD1 4.43Å |
| 35 | L | 95.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.7 | -47.6 | 174.3 | -179.9 | 63.9 | 0 | 0 | 0 | 110.9 | A31 L32 T37 G39 V46 F48 L375 F377 | A31-L35 WeakPolarHBondContact O-CB 3.34Å; A31-L35 PolarHBondContact O-N 3.14Å; L32-L35 PolarHBondContact O-N 3.41Å; L35-T37 VanDerWaalsContact C-N 3.26Å; L35-T37 PolarHBondContact O-N 2.93Å; L35-G39 VanDerWaalsContact O-CA 3.31Å; L35-G39 WeakPolarHBondContact O-CA 3.31Å; L35-G39 PolarHBondContact O-N 2.8Å; L35-V46 HydrophobicContact CD1-CB 4.39Å; L35-V46 HydrophobicContact CD1-CG1 3.98Å; L35-F48 HydrophobicContact CB-CE1 4.13Å; L35-F48 HydrophobicContact CB-CZ 4Å; L35-F48 HydrophobicContact CD1-CE1 4.11Å; L35-L375 HydrophobicContact CD2-CD1 4.19Å; L35-L375 HydrophobicContact CD2-CD2 4.19Å; L35-F377 HydrophobicContact CD2-CE1 4.3Å; L35-F377 HydrophobicContact CD2-CZ 4.17Å |
| 36 | K | 92.8 | Very high | 91.8 | Very high | 63 Ų | 63 | 34.1 Ų | 34.1 | 27% | 0.274 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.6 | -35.6 | 174.9 | -70.5 | 166.2 | -178.8 | 175.1 | 0 | 112.8 | L32 L34 E264 K265 L267 | L32-K36 VanDerWaalsContact O-CG 3.3Å; L32-K36 WeakPolarHBondContact O-CG 3.45Å; L32-K36 PolarHBondContact O-N 2.84Å; L32-K36 VanDerWaalsContact O-N 3.08Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.32Å; K36-E264 WeakPolarHBondContact CE-O 3.41Å; K36-K265 PolarHBondContact NZ-O 3.47Å; K36-L267 WeakPolarHBondContact CE-O 3.03Å; K36-L267 PolarHBondContact NZ-O 3.05Å |
| 37 | T | 92.6 | Very high | 92 | Very high | 29 Ų | 29 | 34 Ų | 34 | 18% | 0.178 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -77.8 | -44.4 | -176.3 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | N33 L34 L35 K40 V304 L308 | N33-T37 WeakPolarHBondContact O-CB 3.44Å; N33-T37 PolarHBondContact O-N 3.45Å; N33-T37 VanDerWaalsContact O-N 3.1Å; N33-T37 PolarHBondContact O-OG1 2.78Å; L34-T37 PolarHBondContact O-N 2.78Å; L35-T37 VanDerWaalsContact C-N 3.26Å; L35-T37 PolarHBondContact O-N 2.93Å; T37-K40 WeakPolarHBondContact O-CG 3.48Å; T37-V304 HydrophobicContact CG2-CG1 3.89Å; T37-L308 WeakPolarHBondContact OG1-CD2 3.2Å |
| 38 | L | 92.6 | Very high | 92.1 | Very high | 30 Ų | 30 | 33.8 Ų | 33.8 | 16% | 0.157 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -73.6 | -30.4 | 175.9 | -63.3 | 177.5 | 0 | 0 | 0 | 111.6 | L34 K40 V46 F48 Y299 V304 | L34-L38 HydrophobicContact CD1-CD1 3.8Å; L34-L38 HydrophobicContact CD1-CD2 4.3Å; L34-L38 HydrophobicContact CD1-CG 3.75Å; L34-L38 HydrophobicContact CD2-CD1 4.34Å; L34-L38 HydrophobicContact CG-CD1 3.78Å; L34-L38 HydrophobicContact CG-CG 4.15Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 2.83Å; L38-K40 VanDerWaalsContact C-N 3.3Å; L38-K40 PolarHBondContact O-N 3.06Å; L38-V46 HydrophobicContact CB-CG1 3.93Å; L38-V46 HydrophobicContact CB-CG2 4.38Å; L38-V46 HydrophobicContact CD1-CG1 4.31Å; L38-F48 HydrophobicContact CD1-CD1 3.73Å; L38-F48 HydrophobicContact CD1-CE1 4.04Å; L38-F48 HydrophobicContact CD1-CG 4.18Å; L38-Y299 HydrophobicContact CD1-CD1 4.27Å; L38-Y299 HydrophobicContact CD1-CD2 4.36Å; L38-Y299 HydrophobicContact CD1-CE1 4.04Å; L38-Y299 HydrophobicContact CD1-CE2 4.1Å; L38-Y299 HydrophobicContact CD1-CG 4.42Å; L38-Y299 HydrophobicContact CD2-CD1 3.7Å; L38-Y299 HydrophobicContact CD2-CE1 3.92Å; L38-Y299 HydrophobicContact CD2-CG 4.29Å; L38-Y299 HydrophobicContact CG-CE1 4.39Å; L38-V304 HydrophobicContact CD2-CG1 4.12Å; L38-V304 HydrophobicContact CD2-CG2 3.83Å |
| 39 | G | 87.9 | Confident | 92.2 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | 4.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L35 D41 N42 | L35-G39 VanDerWaalsContact O-CA 3.31Å; L35-G39 WeakPolarHBondContact O-CA 3.31Å; L35-G39 PolarHBondContact O-N 2.8Å; G39-D41 PolarHBondContact O-N 2.8Å; G39-N42 PolarHBondContact O-OD1 3.23Å |
| 40 | K | 87.2 | Confident | 92.2 | Very high | 157 Ų | 157 | 33.1 Ų | 33.1 | 68% | 0.683 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -30.7 | 179.3 | -76.4 | -178.2 | -179.9 | 179 | 0 | 113.6 | T37 L38 | T37-K40 WeakPolarHBondContact O-CG 3.48Å; L38-K40 VanDerWaalsContact C-N 3.3Å; L38-K40 PolarHBondContact O-N 3.06Å |
| 41 | D | 85.3 | Confident | 92.1 | Very high | 63 Ų | 63 | 33.1 Ų | 33.1 | 34% | 0.337 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -98.9 | 94 | 172.6 | -177.4 | -4.2 | 0 | 0 | 0 | 110.5 | G39 S43 K44 R391 | G39-D41 PolarHBondContact O-N 2.8Å; D41-S43 PolarHBondContact O-N 2.66Å; D41-S43 WeakPolarHBondContact OD1-CB 3.29Å; D41-S43 PolarHBondContact OD1-N 2.75Å; D41-S43 VanDerWaalsContact OD1-N 3.14Å; D41-S43 PolarHBondContact OD1-OG 3.05Å; D41-K44 HydrophobicContact CB-CD 4.46Å; D41-K44 PolarHBondContact O-N 3.35Å; D41-K44 VanDerWaalsContact OD2-CD 3.29Å; D41-K44 WeakPolarHBondContact OD2-CD 3.5Å; D41-K44 WeakPolarHBondContact OD2-CE 3.34Å; D41-K44 IonicContact OD2-NZ 2.7Å; D41-K44 PolarHBondContact OD2-NZ 3.36Å; D41-R391 PolarHBondContact O-NH2 3.05Å |
| 42 | N | 79.8 | Confident | 91.9 | Very high | 43 Ų | 43 | 33.1 Ų | 33.1 | 23% | 0.23 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -11.9 | -178 | -65.2 | 20.5 | 0 | 0 | 0 | 115.5 | G39 K44 R261 R391 | G39-N42 PolarHBondContact O-OD1 3.23Å; N42-K44 VanDerWaalsContact C-N 3.32Å; N42-R261 WeakPolarHBondContact ND2-CD 3.26Å; N42-R261 WeakPolarHBondContact ND2-CG 3.49Å; N42-R261 PolarHBondContact ND2-NE 3.46Å; N42-R261 PolarHBondContact ND2-NH1 3.22Å; N42-R261 WeakPolarHBondContact OD1-CD 3.32Å; N42-R261 WeakPolarHBondContact OD1-CG 3.32Å; N42-R391 PolarHBondContact O-NH1 3.29Å |
| 43 | S | 81.7 | Confident | 91.8 | Very high | 76 Ų | 76 | 33.2 Ų | 33.2 | 53% | 0.531 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -18.4 | -179.4 | 68.6 | 0 | 0 | 0 | 0 | 112.7 | D41 | D41-S43 PolarHBondContact O-N 2.66Å; D41-S43 WeakPolarHBondContact OD1-CB 3.29Å; D41-S43 PolarHBondContact OD1-N 2.75Å; D41-S43 VanDerWaalsContact OD1-N 3.14Å; D41-S43 PolarHBondContact OD1-OG 3.05Å |
| 44 | K | 90.2 | Very high | 91.8 | Very high | 126 Ų | 126 | 30 Ų | 30 | 55% | 0.548 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -99.1 | 156.9 | -173.1 | -66.9 | 179.8 | -179.6 | 149.9 | 0 | 112.2 | D41 N42 R391 | D41-K44 HydrophobicContact CB-CD 4.46Å; D41-K44 PolarHBondContact O-N 3.35Å; D41-K44 VanDerWaalsContact OD2-CD 3.29Å; D41-K44 WeakPolarHBondContact OD2-CD 3.5Å; D41-K44 WeakPolarHBondContact OD2-CE 3.34Å; D41-K44 IonicContact OD2-NZ 2.7Å; D41-K44 PolarHBondContact OD2-NZ 3.36Å; N42-K44 VanDerWaalsContact C-N 3.32Å; K44-R391 PolarHBondContact O-NH1 2.79Å; K44-R391 PolarHBondContact O-NH2 3.09Å |
| 45 | N | 95.4 | Very high | 91.6 | Very high | 27 Ų | 27 | 30 Ų | 30 | 14% | 0.144 | 15% | 0.152 | C | C | . | . | trans | -72.3 | 158.5 | 165.9 | -62 | -36.4 | 0 | 0 | 0 | 110 | L295 R391 S393 S394 | N45-L295 HydrophobicContact CB-CD1 4.32Å; N45-L295 HydrophobicContact CB-CD2 3.66Å; N45-L295 WeakPolarHBondContact ND2-CD2 3.09Å; N45-R391 WeakPolarHBondContact CA-O 3.46Å; N45-S393 PolarHBondContact OD1-N 2.88Å; N45-S394 PolarHBondContact ND2-O 2.96Å; N45-S394 PolarHBondContact OD1-N 3.25Å; N45-S394 PolarHBondContact OD1-O 3.07Å | ||
| 46 | V | 96.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 136 | 168.6 | 176.5 | 0 | 0 | 0 | 0 | 106.8 | L35 L38 F48 G390 R391 | L35-V46 HydrophobicContact CD1-CB 4.39Å; L35-V46 HydrophobicContact CD1-CG1 3.98Å; L38-V46 HydrophobicContact CB-CG1 3.93Å; L38-V46 HydrophobicContact CB-CG2 4.38Å; L38-V46 HydrophobicContact CD1-CG1 4.31Å; V46-F48 HydrophobicContact CG1-CD1 3.7Å; V46-F48 HydrophobicContact CG1-CE1 3.77Å; V46-G390 CarbonylContact O-C 3.17Å; V46-G390 WeakPolarHBondContact O-CA 3.47Å; V46-R391 HydrophobicContact CB-CB 4.13Å; V46-R391 PolarHBondContact N-O 3.04Å; V46-R391 PolarHBondContact O-N 3.17Å |
| 47 | F | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 124.7 | 173.6 | -176 | -114.7 | 0 | 0 | 0 | 109.9 | L295 E297 Y299 S338 V340 F376 F388 C389 | F47-L295 HydrophobicContact CB-CB 4.03Å; F47-L295 HydrophobicContact CB-CD1 3.98Å; F47-L295 HydrophobicContact CD1-CB 4.42Å; F47-L295 HydrophobicContact CG-CB 4.28Å; F47-L295 HydrophobicContact CG-CD1 4.45Å; F47-E297 HydrophobicContact CB-CB 4.29Å; F47-E297 HydrophobicContact CB-CG 3.84Å; F47-E297 WeakPolarHBondContact O-CB 3.39Å; F47-Y299 PolarHBondContact N-OH 2.94Å; F47-Y299 VanDerWaalsContact O-CE2 3.29Å; F47-Y299 WeakPolarHBondContact O-CE2 3.3Å; F47-S338 WeakPolarHBondContact CD1-OG 3.46Å; F47-S338 WeakPolarHBondContact CE1-OG 2.94Å; F47-S338 PolarHBondContact O-OG 3.21Å; F47-V340 HydrophobicContact CD1-CB 4.24Å; F47-V340 HydrophobicContact CD1-CG1 3.7Å; F47-V340 HydrophobicContact CD2-CG1 3.87Å; F47-V340 HydrophobicContact CE1-CB 3.51Å; F47-V340 HydrophobicContact CE1-CG1 3.46Å; F47-V340 VanDerWaalsContact CE1-CG1 3.46Å; F47-V340 HydrophobicContact CE2-CB 4.02Å; F47-V340 HydrophobicContact CE2-CG1 3.61Å; F47-V340 HydrophobicContact CG-CG1 3.92Å; F47-V340 HydrophobicContact CZ-CB 3.38Å; F47-V340 HydrophobicContact CZ-CG1 3.41Å; F47-V340 VanDerWaalsContact CZ-CG1 3.41Å; F47-V340 HydrophobicContact CZ-CG2 4.2Å; F47-F376 AromaticContact CD2-CE2 3.88Å; F47-F376 HydrophobicContact CD2-CE2 3.88Å; F47-F376 AromaticContact CD2-CZ 3.57Å; F47-F376 HydrophobicContact CD2-CZ 3.57Å; F47-F376 AromaticContact CE2-CE2 3.74Å; F47-F376 HydrophobicContact CE2-CE2 3.74Å; F47-F376 AromaticContact CE2-CZ 3.92Å; F47-F376 HydrophobicContact CE2-CZ 3.92Å; F47-F388 AromaticContact CE1-CD1 3.98Å; F47-F388 HydrophobicContact CE1-CD1 3.98Å; F47-F388 HydrophobicContact CE1-CE1 4.34Å; F47-F388 HydrophobicContact CE2-CB 3.74Å; F47-F388 AromaticContact CE2-CD1 3.85Å; F47-F388 HydrophobicContact CE2-CD1 3.85Å; F47-F388 HydrophobicContact CE2-CG 4.11Å; F47-F388 HydrophobicContact CZ-CB 4.01Å; F47-F388 AromaticContact CZ-CD1 3.24Å; F47-F388 HydrophobicContact CZ-CD1 3.24Å; F47-F388 AromaticContact CZ-CE1 3.91Å; F47-F388 HydrophobicContact CZ-CE1 3.91Å; F47-F388 AromaticContact CZ-CG 3.84Å; F47-F388 HydrophobicContact CZ-CG 3.84Å; F47-C389 WeakPolarHBondContact CA-O 3.43Å; F47-C389 WeakPolarHBondContact CD2-O 3.24Å |
| 48 | F | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 162.5 | 179 | 63.1 | -82.4 | 0 | 0 | 0 | 111.3 | A31 L34 L35 L38 V46 P50 M53 Y299 H336 S338 F388 C389 | A31-F48 WeakPolarHBondContact O-CZ 3.47Å; L34-F48 HydrophobicContact CB-CE2 3.94Å; L34-F48 HydrophobicContact CB-CZ 3.97Å; L34-F48 HydrophobicContact CD2-CD2 3.57Å; L34-F48 HydrophobicContact CD2-CE2 3.45Å; L34-F48 VanDerWaalsContact CD2-CE2 3.45Å; L34-F48 HydrophobicContact CD2-CG 4.32Å; L34-F48 HydrophobicContact CD2-CZ 4.12Å; L34-F48 HydrophobicContact CG-CD2 4.21Å; L34-F48 HydrophobicContact CG-CE1 4.46Å; L34-F48 HydrophobicContact CG-CE2 3.75Å; L34-F48 HydrophobicContact CG-CZ 3.89Å; L35-F48 HydrophobicContact CB-CE1 4.13Å; L35-F48 HydrophobicContact CB-CZ 4Å; L35-F48 HydrophobicContact CD1-CE1 4.11Å; L38-F48 HydrophobicContact CD1-CD1 3.73Å; L38-F48 HydrophobicContact CD1-CE1 4.04Å; L38-F48 HydrophobicContact CD1-CG 4.18Å; V46-F48 HydrophobicContact CG1-CD1 3.7Å; V46-F48 HydrophobicContact CG1-CE1 3.77Å; F48-P50 HydrophobicContact CD2-CB 4.37Å; F48-P50 HydrophobicContact CE2-CB 4Å; F48-P50 HydrophobicContact CE2-CG 4.31Å; F48-P50 WeakPolarHBondContact O-CD 3.5Å; F48-M53 HydrophobicContact CB-SD 4.26Å; F48-M53 HydrophobicContact CD2-SD 4.02Å; F48-Y299 HydrophobicContact CB-CE2 4.15Å; F48-H336 WeakPolarHBondContact CA-NE2 3.44Å; F48-H336 VanDerWaalsContact CB-NE2 3.34Å; F48-H336 WeakPolarHBondContact CB-NE2 3.18Å; F48-S338 WeakPolarHBondContact CA-OG 3.12Å; F48-F388 WeakPolarHBondContact O-CA 3.12Å; F48-C389 HydrophobicContact CD1-CB 4.39Å; F48-C389 HydrophobicContact CE1-CB 3.79Å; F48-C389 HydrophobicContact CE2-CB 4.15Å; F48-C389 HydrophobicContact CZ-CB 3.65Å; F48-C389 PolarHBondContact N-O 2.93Å; F48-C389 PolarHBondContact O-N 3.28Å |
| 49 | S | 96.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.014 | 12% | 0.123 | C | C | . | . | trans | -103.8 | 99.6 | 171.6 | -179.4 | 0 | 0 | 0 | 0 | 111 | M51 S52 M53 H336 L387 | S49-M51 PolarHBondContact O-N 2.83Å; S49-S52 PolarHBondContact O-N 2.9Å; S49-S52 VanDerWaalsContact OG-CB 3.31Å; S49-S52 WeakPolarHBondContact OG-CB 3.35Å; S49-S52 PolarHBondContact OG-N 2.99Å; S49-S52 VanDerWaalsContact OG-N 3.14Å; S49-M53 WeakPolarHBondContact O-CB 2.91Å; S49-M53 VanDerWaalsContact O-CG 3.3Å; S49-M53 WeakPolarHBondContact O-CG 3.32Å; S49-M53 PolarHBondContact O-N 3.3Å; S49-H336 PolarHBondContact N-NE2 2.87Å; S49-L387 VanDerWaalsContact CA-O 3.29Å; S49-L387 WeakPolarHBondContact CA-O 3.49Å; S49-L387 VanDerWaalsContact CB-O 3.31Å; S49-L387 WeakPolarHBondContact CB-O 3.42Å; S49-L387 PolarHBondContact OG-O 3.47Å | ||
| 50 | P | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.5 | -35.9 | 176.4 | 24.5 | -35 | 0 | 0 | 0 | 112.2 | N27 F30 A31 F48 M53 S54 I386 L387 | N27-P50 PolarHBondContact OD1-O 2.98Å; F30-P50 HydrophobicContact CD1-CB 4.31Å; A31-P50 HydrophobicContact CB-CB 3.36Å; A31-P50 HydrophobicContact CB-CG 3.51Å; F48-P50 HydrophobicContact CD2-CB 4.37Å; F48-P50 HydrophobicContact CE2-CB 4Å; F48-P50 HydrophobicContact CE2-CG 4.31Å; F48-P50 WeakPolarHBondContact O-CD 3.5Å; P50-M53 PolarHBondContact O-N 2.88Å; P50-S54 WeakPolarHBondContact O-CB 3.48Å; P50-S54 PolarHBondContact O-N 3.47Å; P50-S54 PolarHBondContact O-OG 3.43Å; P50-I386 HydrophobicContact CG-CB 4.45Å; P50-I386 HydrophobicContact CG-CG2 4.03Å; P50-L387 WeakPolarHBondContact CD-O 3.49Å |
| 51 | M | 92.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.5 | -51.9 | 176.9 | 162.6 | 42.7 | -174.3 | 0 | 0 | 111.1 | N27 S49 M53 S54 C55 F91 L94 L95 M109 L387 | N27-M51 WeakPolarHBondContact OD1-CA 3.28Å; N27-M51 PolarHBondContact OD1-N 2.89Å; N27-M51 VanDerWaalsContact OD1-N 3.09Å; S49-M51 PolarHBondContact O-N 2.83Å; M51-M53 VanDerWaalsContact C-N 3.32Å; M51-M53 PolarHBondContact O-N 2.93Å; M51-S54 PolarHBondContact O-N 2.82Å; M51-C55 WeakPolarHBondContact CE-SG 3.32Å; M51-C55 PolarHBondContact O-N 2.96Å; M51-C55 PolarHBondContact O-SG 3.27Å; M51-C55 PolarHBondContact SD-SG 3.24Å; M51-F91 HydrophobicContact SD-CE1 4.37Å; M51-L94 HydrophobicContact CE-CD2 3.51Å; M51-L94 HydrophobicContact CE-CG 3.71Å; M51-L94 HydrophobicContact CG-CD2 4.49Å; M51-L94 HydrophobicContact SD-CD2 3.38Å; M51-L94 WeakPolarHBondContact SD-CD2 3.47Å; M51-L94 HydrophobicContact SD-CG 4.23Å; M51-L95 HydrophobicContact CE-CD2 3.53Å; M51-L95 HydrophobicContact CE-CG 4.07Å; M51-M109 HydrophobicContact CE-SD 4.48Å; M51-L387 HydrophobicContact CB-CD2 4.26Å; M51-L387 HydrophobicContact CG-CD2 4.08Å |
| 52 | S | 92.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.2 | -43.8 | -179.7 | -162.9 | 0 | 0 | 0 | 0 | 111.2 | S49 C55 A56 N111 N184 | S49-S52 PolarHBondContact O-N 2.9Å; S49-S52 VanDerWaalsContact OG-CB 3.31Å; S49-S52 WeakPolarHBondContact OG-CB 3.35Å; S49-S52 PolarHBondContact OG-N 2.99Å; S49-S52 VanDerWaalsContact OG-N 3.14Å; S52-C55 WeakPolarHBondContact O-CB 2.95Å; S52-C55 PolarHBondContact O-N 2.99Å; S52-A56 WeakPolarHBondContact O-CB 3.49Å; S52-A56 PolarHBondContact O-N 3.35Å; S52-N111 PolarHBondContact OG-ND2 3.25Å; S52-N111 PolarHBondContact OG-OD1 3Å; S52-N184 VanDerWaalsContact C-ND2 3.27Å; S52-N184 PolarHBondContact O-ND2 3.02Å; S52-N184 PolarHBondContact OG-ND2 2.94Å |
| 53 | M | 93.9 | Very high | 93.5 | Very high | 6 Ų | 6 | 15.9 Ų | 15.9 | 3% | 0.03 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.4 | -42.7 | 176.9 | -70.1 | 177 | 66.5 | 0 | 0 | 112.7 | F30 L34 F48 S49 P50 M51 C55 A56 L57 N184 M301 H336 | F30-M53 HydrophobicContact CE1-CB 4.07Å; F30-M53 HydrophobicContact CZ-CE 4.26Å; L34-M53 HydrophobicContact CD2-CE 3.4Å; L34-M53 HydrophobicContact CD2-SD 3.63Å; F48-M53 HydrophobicContact CB-SD 4.26Å; F48-M53 HydrophobicContact CD2-SD 4.02Å; S49-M53 WeakPolarHBondContact O-CB 2.91Å; S49-M53 VanDerWaalsContact O-CG 3.3Å; S49-M53 WeakPolarHBondContact O-CG 3.32Å; S49-M53 PolarHBondContact O-N 3.3Å; P50-M53 PolarHBondContact O-N 2.88Å; M51-M53 VanDerWaalsContact C-N 3.32Å; M51-M53 PolarHBondContact O-N 2.93Å; M53-C55 VanDerWaalsContact C-N 3.32Å; M53-C55 PolarHBondContact O-N 3.44Å; M53-A56 PolarHBondContact O-N 3.43Å; M53-L57 WeakPolarHBondContact O-CB 2.86Å; M53-L57 WeakPolarHBondContact O-CG 3.47Å; M53-L57 PolarHBondContact O-N 3.23Å; M53-N184 WeakPolarHBondContact CG-OD1 3.34Å; M53-N184 PolarHBondContact N-OD1 2.97Å; M53-M301 HydrophobicContact CE-CE 3.27Å; M53-M301 HydrophobicContact CE-CG 3.99Å; M53-M301 HydrophobicContact CE-SD 3.56Å; M53-M301 VanDerWaalsContact CE-SD 3.56Å; M53-H336 HydrophobicContact CE-CB 4.35Å; M53-H336 HydrophobicContact CG-CB 4.21Å; M53-H336 HydrophobicContact SD-CB 4.07Å; M53-H336 PolarHBondContact SD-CD2 3.25Å; M53-H336 VanDerWaalsContact SD-CG 3.59Å |
| 54 | S | 93.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.007 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 176.7 | -63 | 0 | 0 | 0 | 0 | 110.9 | N27 F30 P50 M51 A58 | N27-S54 PolarHBondContact OD1-OG 2.99Å; F30-S54 WeakPolarHBondContact CD1-OG 3.19Å; P50-S54 WeakPolarHBondContact O-CB 3.48Å; P50-S54 PolarHBondContact O-N 3.47Å; P50-S54 PolarHBondContact O-OG 3.43Å; M51-S54 PolarHBondContact O-N 2.82Å; S54-A58 WeakPolarHBondContact O-CB 3.47Å; S54-A58 PolarHBondContact O-N 3.06Å |
| 55 | C | 91.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.007 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60 | -49.7 | 172.5 | -73.8 | 0 | 0 | 0 | 0 | 112 | M51 S52 M53 L57 A58 M59 F91 Y133 | M51-C55 WeakPolarHBondContact CE-SG 3.32Å; M51-C55 PolarHBondContact O-N 2.96Å; M51-C55 PolarHBondContact O-SG 3.27Å; M51-C55 PolarHBondContact SD-SG 3.24Å; S52-C55 WeakPolarHBondContact O-CB 2.95Å; S52-C55 PolarHBondContact O-N 2.99Å; M53-C55 VanDerWaalsContact C-N 3.32Å; M53-C55 PolarHBondContact O-N 3.44Å; C55-L57 PolarHBondContact O-N 3.39Å; C55-A58 PolarHBondContact O-N 3.43Å; C55-M59 PolarHBondContact O-N 2.94Å; C55-F91 HydrophobicContact CB-CD1 4.38Å; C55-F91 HydrophobicContact CB-CE1 4.45Å; C55-F91 WeakPolarHBondContact SG-CD1 3.16Å; C55-Y133 HydrophobicContact CB-CD1 4.26Å; C55-Y133 HydrophobicContact CB-CE1 4.4Å; C55-Y133 WeakPolarHBondContact O-CE1 3.45Å |
| 56 | A | 93.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.008 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.2 | -45.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S52 M53 M59 V60 L182 N184 | S52-A56 WeakPolarHBondContact O-CB 3.49Å; S52-A56 PolarHBondContact O-N 3.35Å; M53-A56 PolarHBondContact O-N 3.43Å; A56-M59 HydrophobicContact CB-CE 4.47Å; A56-M59 WeakPolarHBondContact O-CB 3.48Å; A56-M59 PolarHBondContact O-N 2.87Å; A56-V60 PolarHBondContact O-N 2.74Å; A56-L182 HydrophobicContact CB-CD1 3.94Å; A56-L182 HydrophobicContact CB-CD2 3.94Å; A56-L182 HydrophobicContact CB-CG 4.19Å; A56-L182 WeakPolarHBondContact O-CD2 3.43Å; A56-N184 HydrophobicContact CB-CB 3.98Å |
| 57 | L | 95.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -73.3 | -29 | 176.8 | -69 | 169 | 0 | 0 | 0 | 112.4 | F30 M53 C55 M59 V60 Y61 M72 L76 L182 L305 V334 | F30-L57 HydrophobicContact CZ-CD1 4.13Å; M53-L57 WeakPolarHBondContact O-CB 2.86Å; M53-L57 WeakPolarHBondContact O-CG 3.47Å; M53-L57 PolarHBondContact O-N 3.23Å; C55-L57 PolarHBondContact O-N 3.39Å; L57-M59 VanDerWaalsContact C-N 3.33Å; L57-V60 WeakPolarHBondContact O-CB 3.36Å; L57-V60 PolarHBondContact O-N 2.92Å; L57-Y61 WeakPolarHBondContact O-CB 3.24Å; L57-Y61 PolarHBondContact O-N 2.74Å; L57-M72 VanDerWaalsContact O-CE 3.27Å; L57-M72 WeakPolarHBondContact O-CE 3.44Å; L57-L76 HydrophobicContact CB-CD1 3.88Å; L57-L76 HydrophobicContact CB-CD2 3.91Å; L57-L76 HydrophobicContact CB-CG 4.47Å; L57-L76 HydrophobicContact CD1-CD2 3.87Å; L57-L182 HydrophobicContact CD2-CD2 3.85Å; L57-L182 HydrophobicContact CG-CD2 4.29Å; L57-L305 HydrophobicContact CD1-CD1 4.31Å; L57-L305 HydrophobicContact CD1-CD2 3.95Å; L57-L305 HydrophobicContact CD2-CD1 3.9Å; L57-V334 HydrophobicContact CD2-CG1 4.46Å |
| 58 | A | 93.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.7 | -29.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S54 C55 V60 Y61 M62 F78 H88 F91 Y133 | S54-A58 WeakPolarHBondContact O-CB 3.47Å; S54-A58 PolarHBondContact O-N 3.06Å; C55-A58 PolarHBondContact O-N 3.43Å; A58-V60 VanDerWaalsContact C-N 3.33Å; A58-Y61 PolarHBondContact O-N 2.99Å; A58-M62 PolarHBondContact O-N 2.77Å; A58-F78 HydrophobicContact CB-CE2 3.97Å; A58-F78 HydrophobicContact CB-CZ 3.9Å; A58-H88 PolarHBondContact O-CE1 2.85Å; A58-F91 HydrophobicContact CB-CD2 3.76Å; A58-F91 HydrophobicContact CB-CE2 3.32Å; A58-F91 HydrophobicContact CB-CZ 3.9Å; A58-Y133 HydrophobicContact CB-CE1 4.04Å; A58-Y133 WeakPolarHBondContact CB-OH 3.36Å; A58-Y133 PolarHBondContact O-OH 3.11Å |
| 59 | M | 93 | Very high | 94.6 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.5 | -44.2 | 167.3 | -71.1 | -169.2 | -72.7 | 0 | 0 | 111.4 | C55 A56 L57 M62 N111 L113 Y133 A135 L182 | C55-M59 PolarHBondContact O-N 2.94Å; A56-M59 HydrophobicContact CB-CE 4.47Å; A56-M59 WeakPolarHBondContact O-CB 3.48Å; A56-M59 PolarHBondContact O-N 2.87Å; L57-M59 VanDerWaalsContact C-N 3.33Å; M59-M62 WeakPolarHBondContact O-CB 3.38Å; M59-M62 PolarHBondContact O-N 2.89Å; M59-N111 HydrophobicContact CE-CB 3.86Å; M59-L113 HydrophobicContact CB-CD1 4.29Å; M59-Y133 HydrophobicContact CB-CD2 4.42Å; M59-Y133 HydrophobicContact CB-CE2 4.46Å; M59-Y133 HydrophobicContact CG-CD1 3.8Å; M59-Y133 HydrophobicContact CG-CD2 3.32Å; M59-Y133 HydrophobicContact CG-CE1 4.18Å; M59-Y133 HydrophobicContact CG-CE2 3.72Å; M59-Y133 HydrophobicContact CG-CG 3.35Å; M59-Y133 HydrophobicContact SD-CD2 4.25Å; M59-Y133 HydrophobicContact SD-CG 3.95Å; M59-A135 HydrophobicContact CE-CB 4.16Å; M59-A135 HydrophobicContact SD-CB 3.5Å; M59-A135 VanDerWaalsContact SD-CB 3.5Å; M59-L182 HydrophobicContact CE-CD1 4.36Å |
| 60 | V | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.9 | -43.8 | 176.2 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | A56 L57 A58 M62 G63 A64 M72 L113 L182 F321 M324 L331 | A56-V60 PolarHBondContact O-N 2.74Å; L57-V60 WeakPolarHBondContact O-CB 3.36Å; L57-V60 PolarHBondContact O-N 2.92Å; A58-V60 VanDerWaalsContact C-N 3.33Å; V60-M62 PolarHBondContact O-N 3.1Å; V60-G63 PolarHBondContact O-N 3.39Å; V60-G63 VanDerWaalsContact O-N 3.09Å; V60-A64 PolarHBondContact O-N 3.04Å; V60-M72 HydrophobicContact CB-CE 3.75Å; V60-M72 HydrophobicContact CG1-CE 3.52Å; V60-M72 HydrophobicContact CG1-SD 3.95Å; V60-L113 HydrophobicContact CG2-CD1 4.41Å; V60-L113 HydrophobicContact CG2-CD2 3.79Å; V60-L182 HydrophobicContact CG2-CD1 4.42Å; V60-L182 HydrophobicContact CG2-CD2 3.89Å; V60-F321 HydrophobicContact CG1-CD1 4.48Å; V60-F321 HydrophobicContact CG1-CE1 3.53Å; V60-F321 HydrophobicContact CG1-CZ 3.83Å; V60-M324 VanDerWaalsContact CA-CE 3.44Å; V60-M324 HydrophobicContact CB-CE 4.12Å; V60-M324 HydrophobicContact CG1-CE 3.84Å; V60-M324 WeakPolarHBondContact O-CE 3.47Å; V60-L331 HydrophobicContact CG1-CD1 3.86Å; V60-L331 HydrophobicContact CG1-CD2 4.33Å; V60-L331 HydrophobicContact CG1-CG 4.22Å; V60-L331 HydrophobicContact CG2-CD2 4.16Å |
| 61 | Y | 95.5 | Very high | 94.7 | Very high | 59 Ų | 59 | 20.5 Ų | 20.5 | 23% | 0.231 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.7 | -35.9 | 179.3 | 172.8 | -111.7 | 0 | 0 | 0 | 112.8 | L57 A58 G63 A64 A69 M72 A73 F78 I87 H88 | L57-Y61 WeakPolarHBondContact O-CB 3.24Å; L57-Y61 PolarHBondContact O-N 2.74Å; A58-Y61 PolarHBondContact O-N 2.99Å; Y61-G63 PolarHBondContact O-N 2.7Å; Y61-A64 WeakPolarHBondContact O-CB 3.18Å; Y61-A64 PolarHBondContact O-N 2.84Å; Y61-A69 HydrophobicContact CD2-CB 4.37Å; Y61-A69 HydrophobicContact CE2-CB 3.92Å; Y61-A69 VanDerWaalsContact CE2-O 3.29Å; Y61-A69 WeakPolarHBondContact CE2-O 3.48Å; Y61-M72 HydrophobicContact CD2-CB 3.86Å; Y61-A73 HydrophobicContact CE2-CB 3.75Å; Y61-F78 AromaticContact CD1-CD2 3.99Å; Y61-F78 HydrophobicContact CD1-CD2 3.99Å; Y61-F78 HydrophobicContact CD1-CE2 4.09Å; Y61-F78 HydrophobicContact CE1-CD2 4.08Å; Y61-F78 HydrophobicContact CG-CD2 4.46Å; Y61-F78 HydrophobicContact CG-CE2 4.46Å; Y61-I87 HydrophobicContact CE1-CG2 4.26Å; Y61-H88 AromaticContact CD1-CE1 3.93Å |
| 62 | M | 92.9 | Very high | 94.8 | Very high | 27 Ų | 27 | 20.4 Ų | 20.4 | 13% | 0.133 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55.2 | -38.6 | 177.3 | -172 | -175.4 | -75.6 | 0 | 0 | 113 | A58 M59 V60 K65 H88 F125 S128 F132 Y133 | A58-M62 PolarHBondContact O-N 2.77Å; M59-M62 WeakPolarHBondContact O-CB 3.38Å; M59-M62 PolarHBondContact O-N 2.89Å; V60-M62 PolarHBondContact O-N 3.1Å; M62-K65 PolarHBondContact O-NZ 3.05Å; M62-H88 VanDerWaalsContact CB-CE1 3.5Å; M62-H88 WeakPolarHBondContact CB-CE1 3.26Å; M62-H88 HydrophobicContact CE-CB 3.86Å; M62-H88 VanDerWaalsContact CE-CG 3.46Å; M62-H88 WeakPolarHBondContact CE-ND1 3.32Å; M62-F125 HydrophobicContact CB-CE2 4.35Å; M62-S128 WeakPolarHBondContact SD-CB 3.29Å; M62-F132 HydrophobicContact CE-CB 4.15Å; M62-F132 HydrophobicContact CE-CD2 3.38Å; M62-F132 HydrophobicContact CE-CE2 4.08Å; M62-F132 HydrophobicContact CE-CG 4.1Å; M62-F132 HydrophobicContact SD-CD2 4.41Å; M62-Y133 HydrophobicContact CE-CD2 4.21Å; M62-Y133 HydrophobicContact CE-CE2 3.53Å |
| 63 | G | 94.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -88.8 | -9.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V60 Y61 F321 G323 | V60-G63 PolarHBondContact O-N 3.39Å; V60-G63 VanDerWaalsContact O-N 3.09Å; Y61-G63 PolarHBondContact O-N 2.7Å; G63-F321 CarbonylContact O-C 3.53Å; G63-F321 WeakPolarHBondContact O-CA 3.48Å; G63-G323 WeakPolarHBondContact O-CA 3.41Å; G63-G323 PolarHBondContact O-N 3.5Å |
| 64 | A | 96.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 3% | 0.025 | 15% | 0.151 | C | C | . | . | trans | -77.7 | 150.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V60 Y61 T68 A69 M72 D320 F321 | V60-A64 PolarHBondContact O-N 3.04Å; Y61-A64 WeakPolarHBondContact O-CB 3.18Å; Y61-A64 PolarHBondContact O-N 2.84Å; A64-T68 HydrophobicContact CB-CG2 4Å; A64-A69 HydrophobicContact CB-CB 3.93Å; A64-M72 HydrophobicContact CB-SD 3.97Å; A64-D320 CarbonylContact C-O 3.56Å; A64-D320 VanDerWaalsContact CA-O 3.3Å; A64-D320 WeakPolarHBondContact CA-O 3.38Å; A64-F321 HydrophobicContact CB-CD1 4.03Å; A64-F321 HydrophobicContact CB-CE1 3.93Å | ||
| 65 | K | 95.8 | Very high | 94.8 | Very high | 92 Ų | 92 | 27.5 Ų | 27.5 | 40% | 0.4 | 16% | 0.155 | S | C | . | . | trans | -135.9 | 178.3 | 171.5 | -55.2 | -66.3 | 163.2 | -130 | 0 | 110.5 | M62 T68 A69 D320 S322 | M62-K65 PolarHBondContact O-NZ 3.05Å; K65-T68 WeakPolarHBondContact O-CB 3.3Å; K65-T68 PolarHBondContact O-N 3.19Å; K65-A69 PolarHBondContact O-N 3.03Å; K65-D320 HydrophobicContact CB-CB 4.48Å; K65-D320 WeakPolarHBondContact CB-OD2 3.3Å; K65-D320 PolarHBondContact N-O 2.83Å; K65-S322 WeakPolarHBondContact CG-OG 3.25Å | ||
| 66 | G | 95.7 | Very high | 94.8 | Very high | 53 Ų | 53 | 27.4 Ų | 27.4 | 55% | 0.546 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | 51.6 | -138.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T68 A69 A70 | G66-T68 VanDerWaalsContact C-N 3.3Å; G66-T68 PolarHBondContact O-N 2.72Å; G66-A69 PolarHBondContact O-N 3.03Å; G66-A70 PolarHBondContact O-N 3.36Å |
| 67 | N | 96.8 | Very high | 94.7 | Very high | 92 Ų | 92 | 27.9 Ų | 27.9 | 49% | 0.492 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -67.5 | -30.8 | -179.1 | -165 | 50.8 | 0 | 0 | 0 | 112.8 | A70 Q71 D312 | N67-A70 PolarHBondContact O-N 3.37Å; N67-Q71 PolarHBondContact ND2-NE2 2.9Å; N67-Q71 VanDerWaalsContact ND2-NE2 3.17Å; N67-Q71 WeakPolarHBondContact O-CG 3.31Å; N67-Q71 PolarHBondContact O-N 2.83Å; N67-D312 PolarHBondContact ND2-OD2 2.66Å |
| 68 | T | 97.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.6 | -49.5 | 175.5 | -61.7 | 0 | 0 | 0 | 0 | 110.2 | A64 K65 G66 A70 Q71 M72 A313 A319 D320 F321 | A64-T68 HydrophobicContact CB-CG2 4Å; K65-T68 WeakPolarHBondContact O-CB 3.3Å; K65-T68 PolarHBondContact O-N 3.19Å; G66-T68 VanDerWaalsContact C-N 3.3Å; G66-T68 PolarHBondContact O-N 2.72Å; T68-A70 VanDerWaalsContact C-N 3.35Å; T68-A70 PolarHBondContact O-N 3.04Å; T68-Q71 PolarHBondContact O-N 3.08Å; T68-M72 HydrophobicContact CG2-SD 4.42Å; T68-M72 VanDerWaalsContact O-CG 3.28Å; T68-M72 WeakPolarHBondContact O-CG 3.48Å; T68-M72 PolarHBondContact O-N 3.43Å; T68-M72 VanDerWaalsContact O-N 3.12Å; T68-A313 HydrophobicContact CG2-CB 3.99Å; T68-A319 WeakPolarHBondContact OG1-CA 3.38Å; T68-D320 PolarHBondContact OG1-N 3.29Å; T68-F321 HydrophobicContact CG2-CD1 4.46Å; T68-F321 HydrophobicContact CG2-CE1 3.81Å; T68-F321 HydrophobicContact CG2-CZ 3.89Å |
| 69 | A | 96.1 | Very high | 93.4 | Very high | 15 Ų | 15 | 33.1 Ų | 33.1 | 12% | 0.124 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y61 A64 K65 G66 M72 A73 | Y61-A69 HydrophobicContact CD2-CB 4.37Å; Y61-A69 HydrophobicContact CE2-CB 3.92Å; Y61-A69 VanDerWaalsContact CE2-O 3.29Å; Y61-A69 WeakPolarHBondContact CE2-O 3.48Å; A64-A69 HydrophobicContact CB-CB 3.93Å; K65-A69 PolarHBondContact O-N 3.03Å; G66-A69 PolarHBondContact O-N 3.03Å; A69-M72 PolarHBondContact O-N 3.49Å; A69-A73 WeakPolarHBondContact O-CB 3.3Å; A69-A73 PolarHBondContact O-N 3.47Å |
| 70 | A | 95.4 | Very high | 92 | Very high | 48 Ų | 48 | 38.2 Ų | 38.2 | 40% | 0.397 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.7 | -46.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | G66 N67 T68 M72 A73 Q74 | G66-A70 PolarHBondContact O-N 3.36Å; N67-A70 PolarHBondContact O-N 3.37Å; T68-A70 VanDerWaalsContact C-N 3.35Å; T68-A70 PolarHBondContact O-N 3.04Å; A70-M72 PolarHBondContact O-N 3.33Å; A70-A73 PolarHBondContact O-N 3.27Å; A70-Q74 WeakPolarHBondContact O-CB 3.38Å; A70-Q74 PolarHBondContact O-N 2.99Å |
| 71 | Q | 96.9 | Very high | 90.2 | Very high | 26 Ų | 26 | 39.6 Ų | 39.6 | 12% | 0.121 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 176.1 | -73 | 175.4 | -4.4 | 0 | 0 | 111.5 | N67 T68 Q74 I75 G309 T311 D312 | N67-Q71 PolarHBondContact ND2-NE2 2.9Å; N67-Q71 VanDerWaalsContact ND2-NE2 3.17Å; N67-Q71 WeakPolarHBondContact O-CG 3.31Å; N67-Q71 PolarHBondContact O-N 2.83Å; T68-Q71 PolarHBondContact O-N 3.08Å; Q71-Q74 PolarHBondContact O-N 3.42Å; Q71-I75 PolarHBondContact O-N 3.33Å; Q71-I75 VanDerWaalsContact O-N 3.16Å; Q71-G309 WeakPolarHBondContact CG-O 3.5Å; Q71-T311 PolarHBondContact NE2-OG1 2.83Å; Q71-T311 VanDerWaalsContact OE1-N 3.11Å; Q71-D312 PolarHBondContact NE2-OD1 2.86Å; Q71-D312 PolarHBondContact OE1-OD1 3.39Å |
| 72 | M | 95.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63 | -46.3 | 178.5 | -69.7 | -172.8 | 78.9 | 0 | 0 | 112.6 | L57 V60 Y61 A64 T68 A69 A70 Q74 I75 L76 M310 F321 | L57-M72 VanDerWaalsContact O-CE 3.27Å; L57-M72 WeakPolarHBondContact O-CE 3.44Å; V60-M72 HydrophobicContact CB-CE 3.75Å; V60-M72 HydrophobicContact CG1-CE 3.52Å; V60-M72 HydrophobicContact CG1-SD 3.95Å; Y61-M72 HydrophobicContact CD2-CB 3.86Å; A64-M72 HydrophobicContact CB-SD 3.97Å; T68-M72 HydrophobicContact CG2-SD 4.42Å; T68-M72 VanDerWaalsContact O-CG 3.28Å; T68-M72 WeakPolarHBondContact O-CG 3.48Å; T68-M72 PolarHBondContact O-N 3.43Å; T68-M72 VanDerWaalsContact O-N 3.12Å; A69-M72 PolarHBondContact O-N 3.49Å; A70-M72 PolarHBondContact O-N 3.33Å; M72-Q74 VanDerWaalsContact C-N 3.26Å; M72-Q74 PolarHBondContact O-N 2.93Å; M72-I75 PolarHBondContact O-N 3.1Å; M72-L76 WeakPolarHBondContact O-CB 3.13Å; M72-L76 WeakPolarHBondContact O-CG 3.42Å; M72-L76 PolarHBondContact O-N 2.96Å; M72-M310 HydrophobicContact CB-CE 4.28Å; M72-M310 HydrophobicContact CE-CE 4.29Å; M72-M310 HydrophobicContact CE-SD 4.31Å; M72-M310 HydrophobicContact CG-CE 3.81Å; M72-M310 HydrophobicContact CG-CG 4.1Å; M72-M310 HydrophobicContact CG-SD 3.92Å; M72-F321 HydrophobicContact SD-CE1 4.4Å |
| 73 | A | 93.6 | Very high | 85.5 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.8 | -31.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y61 A69 A70 S77 F78 N79 | Y61-A73 HydrophobicContact CE2-CB 3.75Å; A69-A73 WeakPolarHBondContact O-CB 3.3Å; A69-A73 PolarHBondContact O-N 3.47Å; A70-A73 PolarHBondContact O-N 3.27Å; A73-S77 CarbonylContact O-C 3.54Å; A73-S77 PolarHBondContact O-N 3.47Å; A73-F78 HydrophobicContact CB-CB 4.25Å; A73-F78 PolarHBondContact O-N 2.72Å; A73-N79 WeakPolarHBondContact CB-OD1 3.37Å; A73-N79 PolarHBondContact O-N 3.01Å |
| 74 | Q | 93.1 | Very high | 82.9 | Confident | 137 Ų | 137 | 45.5 Ų | 45.5 | 64% | 0.64 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.7 | -48.2 | 174.4 | -178.7 | 173 | -8.6 | 0 | 0 | 111.9 | A70 Q71 M72 S77 N79 | A70-Q74 WeakPolarHBondContact O-CB 3.38Å; A70-Q74 PolarHBondContact O-N 2.99Å; Q71-Q74 PolarHBondContact O-N 3.42Å; M72-Q74 VanDerWaalsContact C-N 3.26Å; M72-Q74 PolarHBondContact O-N 2.93Å; Q74-S77 PolarHBondContact O-N 3.29Å; Q74-S77 VanDerWaalsContact O-N 3.14Å; Q74-N79 WeakPolarHBondContact CA-ND2 3.24Å; Q74-N79 PolarHBondContact N-ND2 2.88Å |
| 75 | I | 93 | Very high | 80.9 | Confident | 16 Ų | 16 | 46.7 Ų | 46.7 | 8% | 0.082 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.5 | -41.7 | -176.8 | -74.2 | 158.6 | 0 | 0 | 0 | 112 | F30 Q71 M72 S77 L305 L308 G309 M310 | F30-I75 HydrophobicContact CD2-CG2 4.18Å; F30-I75 WeakPolarHBondContact CD2-O 3.49Å; F30-I75 HydrophobicContact CE2-CG2 4.01Å; Q71-I75 PolarHBondContact O-N 3.33Å; Q71-I75 VanDerWaalsContact O-N 3.16Å; M72-I75 PolarHBondContact O-N 3.1Å; I75-S77 PolarHBondContact O-N 2.93Å; I75-L305 HydrophobicContact CG2-CD2 4.47Å; I75-L308 HydrophobicContact CD1-CB 4.04Å; I75-L308 WeakPolarHBondContact CD1-O 3.44Å; I75-L308 HydrophobicContact CG1-CB 4.1Å; I75-L308 VanDerWaalsContact CG1-O 3.3Å; I75-L308 WeakPolarHBondContact CG1-O 3.45Å; I75-L308 HydrophobicContact CG2-CB 4.28Å; I75-L308 HydrophobicContact CG2-CD1 4.38Å; I75-G309 VanDerWaalsContact CD1-C 3.48Å; I75-M310 HydrophobicContact CD1-CB 3.42Å; I75-M310 VanDerWaalsContact CD1-CB 3.42Å; I75-M310 HydrophobicContact CD1-CE 4.31Å; I75-M310 HydrophobicContact CG2-CE 4.4Å |
| 76 | L | 91.9 | Very high | 80.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -0.1 | 175.7 | -62.2 | 171.2 | 0 | 0 | 0 | 112.4 | F30 L57 M72 F78 | F30-L76 HydrophobicContact CD2-CD2 4.24Å; F30-L76 HydrophobicContact CE2-CD2 4.19Å; F30-L76 HydrophobicContact CG-CD2 4.43Å; F30-L76 HydrophobicContact CZ-CD2 4.33Å; L57-L76 HydrophobicContact CB-CD1 3.88Å; L57-L76 HydrophobicContact CB-CD2 3.91Å; L57-L76 HydrophobicContact CB-CG 4.47Å; L57-L76 HydrophobicContact CD1-CD2 3.87Å; M72-L76 WeakPolarHBondContact O-CB 3.13Å; M72-L76 WeakPolarHBondContact O-CG 3.42Å; M72-L76 PolarHBondContact O-N 2.96Å; L76-F78 HydrophobicContact CB-CD1 3.86Å; L76-F78 HydrophobicContact CB-CD2 3.87Å; L76-F78 HydrophobicContact CB-CE1 3.66Å; L76-F78 HydrophobicContact CB-CE2 3.67Å; L76-F78 HydrophobicContact CB-CG 3.95Å; L76-F78 HydrophobicContact CB-CZ 3.54Å; L76-F78 HydrophobicContact CD1-CD2 4.07Å; L76-F78 HydrophobicContact CD1-CE2 3.34Å; L76-F78 HydrophobicContact CD1-CZ 3.64Å; L76-F78 HydrophobicContact CG-CE2 4.12Å; L76-F78 HydrophobicContact CG-CZ 4.09Å; L76-F78 VanDerWaalsContact O-CD1 3.29Å; L76-F78 WeakPolarHBondContact O-CD1 3.5Å; L76-F78 PolarHBondContact O-N 3.26Å; L76-F78 VanDerWaalsContact O-N 3.14Å |
| 77 | S | 90.3 | Very high | 79.7 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 7% | 0.07 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 22.9 | -178.4 | -57.7 | 0 | 0 | 0 | 0 | 114 | T29 A73 Q74 I75 N79 K80 | T29-S77 WeakPolarHBondContact CG2-OG 3.39Å; A73-S77 CarbonylContact O-C 3.54Å; A73-S77 PolarHBondContact O-N 3.47Å; Q74-S77 PolarHBondContact O-N 3.29Å; Q74-S77 VanDerWaalsContact O-N 3.14Å; I75-S77 PolarHBondContact O-N 2.93Å; S77-N79 PolarHBondContact O-N 3.2Å; S77-K80 PolarHBondContact O-N 3.43Å |
| 78 | F | 86.8 | Confident | 79.4 | Confident | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -68.3 | -22.9 | 175.5 | -61.6 | -17.7 | 0 | 0 | 0 | 112 | A26 A58 Y61 A73 L76 K80 S81 I87 F91 | A26-F78 HydrophobicContact CB-CD1 4.11Å; A26-F78 HydrophobicContact CB-CE1 4.49Å; A58-F78 HydrophobicContact CB-CE2 3.97Å; A58-F78 HydrophobicContact CB-CZ 3.9Å; Y61-F78 AromaticContact CD1-CD2 3.99Å; Y61-F78 HydrophobicContact CD1-CD2 3.99Å; Y61-F78 HydrophobicContact CD1-CE2 4.09Å; Y61-F78 HydrophobicContact CE1-CD2 4.08Å; Y61-F78 HydrophobicContact CG-CD2 4.46Å; Y61-F78 HydrophobicContact CG-CE2 4.46Å; A73-F78 HydrophobicContact CB-CB 4.25Å; A73-F78 PolarHBondContact O-N 2.72Å; L76-F78 HydrophobicContact CB-CD1 3.86Å; L76-F78 HydrophobicContact CB-CD2 3.87Å; L76-F78 HydrophobicContact CB-CE1 3.66Å; L76-F78 HydrophobicContact CB-CE2 3.67Å; L76-F78 HydrophobicContact CB-CG 3.95Å; L76-F78 HydrophobicContact CB-CZ 3.54Å; L76-F78 HydrophobicContact CD1-CD2 4.07Å; L76-F78 HydrophobicContact CD1-CE2 3.34Å; L76-F78 HydrophobicContact CD1-CZ 3.64Å; L76-F78 HydrophobicContact CG-CE2 4.12Å; L76-F78 HydrophobicContact CG-CZ 4.09Å; L76-F78 VanDerWaalsContact O-CD1 3.29Å; L76-F78 WeakPolarHBondContact O-CD1 3.5Å; L76-F78 PolarHBondContact O-N 3.26Å; L76-F78 VanDerWaalsContact O-N 3.14Å; F78-K80 PolarHBondContact O-N 2.66Å; F78-K80 VanDerWaalsContact O-N 3.16Å; F78-S81 WeakPolarHBondContact O-CB 3.42Å; F78-S81 PolarHBondContact O-N 2.79Å; F78-S81 PolarHBondContact O-OG 2.77Å; F78-I87 HydrophobicContact CD1-CD1 3.83Å; F78-I87 HydrophobicContact CD1-CG1 3.95Å; F78-I87 HydrophobicContact CD2-CG1 4.21Å; F78-I87 HydrophobicContact CE1-CD1 4.06Å; F78-I87 HydrophobicContact CE1-CG1 3.99Å; F78-I87 HydrophobicContact CE2-CG1 4.23Å; F78-I87 HydrophobicContact CG-CD1 4.3Å; F78-I87 HydrophobicContact CG-CG1 4.08Å; F78-I87 HydrophobicContact CZ-CG1 4.15Å; F78-F91 AromaticContact CE1-CE2 3.93Å; F78-F91 HydrophobicContact CE1-CE2 3.93Å; F78-F91 AromaticContact CE1-CZ 3.99Å; F78-F91 HydrophobicContact CE1-CZ 3.99Å; F78-F91 HydrophobicContact CE2-CE2 4.36Å; F78-F91 AromaticContact CZ-CE2 3.52Å; F78-F91 HydrophobicContact CZ-CE2 3.52Å; F78-F91 AromaticContact CZ-CZ 3.75Å; F78-F91 HydrophobicContact CZ-CZ 3.75Å |
| 79 | N | 74.8 | Confident | 78.9 | Confident | 104 Ų | 104 | 43.9 Ų | 43.9 | 56% | 0.556 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -62.7 | -23.5 | 176.4 | -64.7 | -16.8 | 0 | 0 | 0 | 113.3 | A73 Q74 S77 S81 | A73-N79 WeakPolarHBondContact CB-OD1 3.37Å; A73-N79 PolarHBondContact O-N 3.01Å; Q74-N79 WeakPolarHBondContact CA-ND2 3.24Å; Q74-N79 PolarHBondContact N-ND2 2.88Å; S77-N79 PolarHBondContact O-N 3.2Å; N79-S81 PolarHBondContact O-N 2.84Å |
| 80 | K | 63.8 | Low | 78.5 | Confident | 109 Ų | 109 | 43.2 Ų | 43.2 | 47% | 0.474 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -75.4 | -11.4 | 174.5 | -67.4 | -174 | 171 | -170.2 | 0 | 112.8 | E25 S77 F78 G82 E270 | E25-K80 IonicContact OE1-NZ 3.34Å; S77-K80 PolarHBondContact O-N 3.43Å; F78-K80 PolarHBondContact O-N 2.66Å; F78-K80 VanDerWaalsContact O-N 3.16Å; K80-G82 PolarHBondContact O-N 2.92Å; K80-E270 IonicContact NZ-OE1 2.83Å |
| 81 | S | 57.3 | Low | 78.2 | Confident | 30 Ų | 30 | 41 Ų | 41 | 21% | 0.21 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -75.6 | 8.6 | -173.2 | 80 | 0 | 0 | 0 | 0 | 115.4 | F78 N79 G83 | F78-S81 WeakPolarHBondContact O-CB 3.42Å; F78-S81 PolarHBondContact O-N 2.79Å; F78-S81 PolarHBondContact O-OG 2.77Å; N79-S81 PolarHBondContact O-N 2.84Å; S81-G83 VanDerWaalsContact C-N 3.34Å; S81-G83 PolarHBondContact O-N 3.09Å; S81-G83 VanDerWaalsContact O-N 3.12Å |
| 82 | G | 45.2 | Very low | 77.9 | Confident | 67 Ų | 67 | 42.7 Ų | 42.7 | 69% | 0.691 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 44.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 115 | K80 G84 | K80-G82 PolarHBondContact O-N 2.92Å; G82-G84 PolarHBondContact O-N 3.36Å |
| 83 | G | 44.9 | Very low | 77.5 | Confident | 86 Ų | 86 | 44 Ų | 44 | 89% | 0.887 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 6.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | S81 | S81-G83 VanDerWaalsContact C-N 3.34Å; S81-G83 PolarHBondContact O-N 3.09Å; S81-G83 VanDerWaalsContact O-N 3.12Å |
| 84 | G | 40 | Very low | 77.2 | Confident | 56 Ų | 56 | 44.6 Ų | 44.6 | 58% | 0.577 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -101.1 | -14 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | G82 | G82-G84 PolarHBondContact O-N 3.36Š|
| 85 | G | 54.8 | Low | 77 | Confident | 28 Ų | 28 | 38.3 Ų | 38.3 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -148.8 | 145.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I87 | G85-I87 PolarHBondContact O-N 2.84Š|
| 86 | D | 80 | Confident | 76.7 | Confident | 55 Ų | 55 | 41.3 Ų | 41.3 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | trans | -65.9 | 109 | 172.7 | 177.6 | -2.8 | 0 | 0 | 0 | 109.1 | H88 Q89 G90 | D86-H88 PolarHBondContact O-N 2.82Å; D86-H88 VanDerWaalsContact O-N 3.08Å; D86-H88 VanDerWaalsContact OD1-CB 3.31Å; D86-H88 WeakPolarHBondContact OD1-CB 3.37Å; D86-H88 IonicContact OD1-CD2 2.84Å; D86-H88 PolarHBondContact OD1-CD2 2.84Å; D86-H88 VanDerWaalsContact OD1-CD2 3.24Å; D86-H88 IonicContact OD1-CG 3.76Å; D86-H88 PolarHBondContact OD1-N 2.86Å; D86-H88 VanDerWaalsContact OD1-N 3.1Å; D86-Q89 HydrophobicContact CB-CB 4.22Å; D86-Q89 HydrophobicContact CB-CG 3.89Å; D86-Q89 WeakPolarHBondContact O-CA 3.42Å; D86-Q89 WeakPolarHBondContact O-CB 3.39Å; D86-Q89 PolarHBondContact O-N 2.84Å; D86-Q89 WeakPolarHBondContact OD2-CG 3.27Å; D86-Q89 PolarHBondContact OD2-NE2 3.04Å; D86-G90 PolarHBondContact O-N 2.61Å | ||
| 87 | I | 85.8 | Confident | 76.5 | Confident | 19 Ų | 19 | 43.6 Ų | 43.6 | 10% | 0.097 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -52.8 | -32.3 | -178.5 | -167.9 | 70.2 | 0 | 0 | 0 | 111.8 | L23 Y61 F78 G85 G90 F91 | L23-I87 HydrophobicContact CD1-CD1 3.74Å; L23-I87 HydrophobicContact CD1-CG1 4.49Å; Y61-I87 HydrophobicContact CE1-CG2 4.26Å; F78-I87 HydrophobicContact CD1-CD1 3.83Å; F78-I87 HydrophobicContact CD1-CG1 3.95Å; F78-I87 HydrophobicContact CD2-CG1 4.21Å; F78-I87 HydrophobicContact CE1-CD1 4.06Å; F78-I87 HydrophobicContact CE1-CG1 3.99Å; F78-I87 HydrophobicContact CE2-CG1 4.23Å; F78-I87 HydrophobicContact CG-CD1 4.3Å; F78-I87 HydrophobicContact CG-CG1 4.08Å; F78-I87 HydrophobicContact CZ-CG1 4.15Å; G85-I87 PolarHBondContact O-N 2.84Å; I87-G90 WeakPolarHBondContact O-CA 3.23Å; I87-G90 PolarHBondContact O-N 2.94Å; I87-G90 VanDerWaalsContact O-N 3.14Å; I87-F91 HydrophobicContact CD1-CE2 4.46Å; I87-F91 HydrophobicContact CG1-CD2 4.12Å; I87-F91 HydrophobicContact CG1-CE2 3.84Å; I87-F91 VanDerWaalsContact O-CD2 3.31Å; I87-F91 WeakPolarHBondContact O-CD2 3.36Å; I87-F91 PolarHBondContact O-N 3.31Å |
| 88 | H | 89.9 | Confident | 76.2 | Confident | 22 Ų | 22 | 43.1 Ų | 43.1 | 10% | 0.102 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.8 | -33.6 | 178.9 | -51.9 | -63.5 | 0 | 0 | 0 | 111.7 | A58 Y61 M62 D86 G90 F91 Q92 F132 Y133 | A58-H88 PolarHBondContact O-CE1 2.85Å; Y61-H88 AromaticContact CD1-CE1 3.93Å; M62-H88 VanDerWaalsContact CB-CE1 3.5Å; M62-H88 WeakPolarHBondContact CB-CE1 3.26Å; M62-H88 HydrophobicContact CE-CB 3.86Å; M62-H88 VanDerWaalsContact CE-CG 3.46Å; M62-H88 WeakPolarHBondContact CE-ND1 3.32Å; D86-H88 PolarHBondContact O-N 2.82Å; D86-H88 VanDerWaalsContact O-N 3.08Å; D86-H88 VanDerWaalsContact OD1-CB 3.31Å; D86-H88 WeakPolarHBondContact OD1-CB 3.37Å; D86-H88 IonicContact OD1-CD2 2.84Å; D86-H88 PolarHBondContact OD1-CD2 2.84Å; D86-H88 VanDerWaalsContact OD1-CD2 3.24Å; D86-H88 IonicContact OD1-CG 3.76Å; D86-H88 PolarHBondContact OD1-N 2.86Å; D86-H88 VanDerWaalsContact OD1-N 3.1Å; H88-G90 VanDerWaalsContact C-N 3.33Å; H88-F91 PolarHBondContact O-N 3.33Å; H88-Q92 WeakPolarHBondContact O-CB 3.38Å; H88-Q92 PolarHBondContact O-N 2.94Å; H88-F132 HydrophobicContact CB-CB 4.05Å; H88-F132 HydrophobicContact CB-CD1 3.89Å; H88-F132 HydrophobicContact CB-CD2 3.98Å; H88-F132 HydrophobicContact CB-CE1 4.27Å; H88-F132 HydrophobicContact CB-CE2 4.33Å; H88-F132 HydrophobicContact CB-CG 3.71Å; H88-F132 HydrophobicContact CB-CZ 4.46Å; H88-Y133 AromaticContact ND1-CE2 3.88Å; H88-Y133 AromaticContact ND1-CZ 3.75Å; H88-Y133 PolarHBondContact ND1-OH 3.45Å |
| 89 | Q | 88 | Confident | 75.9 | Confident | 84 Ų | 84 | 45.7 Ų | 45.7 | 39% | 0.393 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.3 | -32.7 | 170.2 | -67.6 | 173 | 24.5 | 0 | 0 | 112.1 | D86 Q92 S93 F132 | D86-Q89 HydrophobicContact CB-CB 4.22Å; D86-Q89 HydrophobicContact CB-CG 3.89Å; D86-Q89 WeakPolarHBondContact O-CA 3.42Å; D86-Q89 WeakPolarHBondContact O-CB 3.39Å; D86-Q89 PolarHBondContact O-N 2.84Å; D86-Q89 WeakPolarHBondContact OD2-CG 3.27Å; D86-Q89 PolarHBondContact OD2-NE2 3.04Å; Q89-Q92 PolarHBondContact O-N 3.5Å; Q89-S93 WeakPolarHBondContact O-CB 3.26Å; Q89-S93 PolarHBondContact O-N 3.44Å; Q89-S93 PolarHBondContact O-OG 2.83Å; Q89-F132 HydrophobicContact CG-CD1 4.38Å; Q89-F132 HydrophobicContact CG-CE1 3.72Å |
| 90 | G | 87.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.2 | -52.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I19 D86 I87 H88 Q92 S93 L94 | I19-G90 VanDerWaalsContact CG2-CA 3.43Å; D86-G90 PolarHBondContact O-N 2.61Å; I87-G90 WeakPolarHBondContact O-CA 3.23Å; I87-G90 PolarHBondContact O-N 2.94Å; I87-G90 VanDerWaalsContact O-N 3.14Å; H88-G90 VanDerWaalsContact C-N 3.33Å; G90-Q92 VanDerWaalsContact C-N 3.34Å; G90-Q92 PolarHBondContact O-N 3.49Å; G90-S93 PolarHBondContact O-N 3.43Å; G90-L94 WeakPolarHBondContact O-CB 3.35Å; G90-L94 PolarHBondContact O-N 3.06Å |
| 91 | F | 89.1 | Confident | 77.1 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 0% | 0.004 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 175.6 | -79.4 | -66.7 | 0 | 0 | 0 | 112.9 | L23 M51 C55 A58 F78 I87 H88 S93 L94 L95 Y133 | L23-F91 HydrophobicContact CD1-CD1 4.18Å; L23-F91 HydrophobicContact CD1-CD2 4.2Å; L23-F91 HydrophobicContact CD1-CE1 3.74Å; L23-F91 HydrophobicContact CD1-CE2 3.73Å; L23-F91 HydrophobicContact CD1-CG 4.42Å; L23-F91 HydrophobicContact CD1-CZ 3.51Å; L23-F91 HydrophobicContact CD2-CD1 3.95Å; L23-F91 HydrophobicContact CD2-CE1 4.24Å; L23-F91 HydrophobicContact CD2-CG 4.19Å; L23-F91 HydrophobicContact CG-CE1 4.44Å; M51-F91 HydrophobicContact SD-CE1 4.37Å; C55-F91 HydrophobicContact CB-CD1 4.38Å; C55-F91 HydrophobicContact CB-CE1 4.45Å; C55-F91 WeakPolarHBondContact SG-CD1 3.16Å; A58-F91 HydrophobicContact CB-CD2 3.76Å; A58-F91 HydrophobicContact CB-CE2 3.32Å; A58-F91 HydrophobicContact CB-CZ 3.9Å; F78-F91 AromaticContact CE1-CE2 3.93Å; F78-F91 HydrophobicContact CE1-CE2 3.93Å; F78-F91 AromaticContact CE1-CZ 3.99Å; F78-F91 HydrophobicContact CE1-CZ 3.99Å; F78-F91 HydrophobicContact CE2-CE2 4.36Å; F78-F91 AromaticContact CZ-CE2 3.52Å; F78-F91 HydrophobicContact CZ-CE2 3.52Å; F78-F91 AromaticContact CZ-CZ 3.75Å; F78-F91 HydrophobicContact CZ-CZ 3.75Å; I87-F91 HydrophobicContact CD1-CE2 4.46Å; I87-F91 HydrophobicContact CG1-CD2 4.12Å; I87-F91 HydrophobicContact CG1-CE2 3.84Å; I87-F91 VanDerWaalsContact O-CD2 3.31Å; I87-F91 WeakPolarHBondContact O-CD2 3.36Å; I87-F91 PolarHBondContact O-N 3.31Å; H88-F91 PolarHBondContact O-N 3.33Å; F91-S93 VanDerWaalsContact C-N 3.31Å; F91-S93 PolarHBondContact O-N 2.92Å; F91-L94 PolarHBondContact O-N 2.97Å; F91-L95 WeakPolarHBondContact O-CB 3.42Å; F91-L95 VanDerWaalsContact O-CG 3.28Å; F91-L95 WeakPolarHBondContact O-CG 3.47Å; F91-L95 PolarHBondContact O-N 3Å; F91-Y133 HydrophobicContact CB-CD1 4.22Å; F91-Y133 HydrophobicContact CB-CE1 3.54Å; F91-Y133 HydrophobicContact CD1-CE1 4.42Å; F91-Y133 AromaticContact CD2-CE1 3.96Å; F91-Y133 HydrophobicContact CD2-CE1 3.96Å; F91-Y133 AromaticContact CG-CE1 3.74Å; F91-Y133 HydrophobicContact CG-CE1 3.74Å |
| 92 | Q | 90.4 | Very high | 78.1 | Confident | 62 Ų | 62 | 49.6 Ų | 49.6 | 29% | 0.29 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 174.9 | -172.2 | -171.8 | 40.6 | 0 | 0 | 111.7 | H88 Q89 G90 T96 K131 F132 | H88-Q92 WeakPolarHBondContact O-CB 3.38Å; H88-Q92 PolarHBondContact O-N 2.94Å; Q89-Q92 PolarHBondContact O-N 3.5Å; G90-Q92 VanDerWaalsContact C-N 3.34Å; G90-Q92 PolarHBondContact O-N 3.49Å; Q92-T96 WeakPolarHBondContact O-CB 3.27Å; Q92-T96 PolarHBondContact O-N 3.1Å; Q92-T96 PolarHBondContact O-OG1 2.89Å; Q92-K131 PolarHBondContact NE2-O 3.13Å; Q92-F132 WeakPolarHBondContact CA-O 3.28Å; Q92-F132 HydrophobicContact CB-CD1 4.31Å; Q92-F132 WeakPolarHBondContact CB-O 3.41Å; Q92-F132 PolarHBondContact N-O 3.32Å |
| 93 | S | 88.2 | Confident | 79.8 | Confident | 29 Ų | 29 | 48.1 Ų | 48.1 | 20% | 0.203 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 179 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | Q89 G90 F91 T96 E97 | Q89-S93 WeakPolarHBondContact O-CB 3.26Å; Q89-S93 PolarHBondContact O-N 3.44Å; Q89-S93 PolarHBondContact O-OG 2.83Å; G90-S93 PolarHBondContact O-N 3.43Å; F91-S93 VanDerWaalsContact C-N 3.31Å; F91-S93 PolarHBondContact O-N 2.92Å; S93-T96 PolarHBondContact O-N 3.36Å; S93-E97 PolarHBondContact O-N 3.22Å |
| 94 | L | 86.9 | Confident | 81.7 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 7% | 0.068 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.8 | -50.2 | 177.7 | -180 | 61.4 | 0 | 0 | 0 | 111.5 | L23 M51 G90 F91 T96 E97 V98 T383 | L23-L94 HydrophobicContact CD2-CB 4.01Å; L23-L94 HydrophobicContact CD2-CD2 3.65Å; L23-L94 HydrophobicContact CD2-CG 4.47Å; L23-L94 HydrophobicContact CG-CD2 4.29Å; M51-L94 HydrophobicContact CE-CD2 3.51Å; M51-L94 HydrophobicContact CE-CG 3.71Å; M51-L94 HydrophobicContact CG-CD2 4.49Å; M51-L94 HydrophobicContact SD-CD2 3.38Å; M51-L94 WeakPolarHBondContact SD-CD2 3.47Å; M51-L94 HydrophobicContact SD-CG 4.23Å; G90-L94 WeakPolarHBondContact O-CB 3.35Å; G90-L94 PolarHBondContact O-N 3.06Å; F91-L94 PolarHBondContact O-N 2.97Å; L94-T96 VanDerWaalsContact C-N 3.28Å; L94-T96 PolarHBondContact O-N 2.81Å; L94-E97 PolarHBondContact O-N 3.1Å; L94-E97 VanDerWaalsContact O-N 3.08Å; L94-V98 HydrophobicContact CD1-CG1 3.89Å; L94-V98 HydrophobicContact CG-CG1 4.45Å; L94-V98 WeakPolarHBondContact O-CG2 3.43Å; L94-V98 PolarHBondContact O-N 3Å; L94-T383 HydrophobicContact CD1-CG2 4.12Å |
| 95 | L | 87.4 | Confident | 83.9 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.7 | -39.2 | 177.7 | -72.5 | 172.1 | 0 | 0 | 0 | 111.9 | M51 F91 E97 N99 M109 Y133 | M51-L95 HydrophobicContact CE-CD2 3.53Å; M51-L95 HydrophobicContact CE-CG 4.07Å; F91-L95 WeakPolarHBondContact O-CB 3.42Å; F91-L95 VanDerWaalsContact O-CG 3.28Å; F91-L95 WeakPolarHBondContact O-CG 3.47Å; F91-L95 PolarHBondContact O-N 3Å; L95-E97 VanDerWaalsContact C-N 3.32Å; L95-E97 PolarHBondContact O-N 3.47Å; L95-N99 VanDerWaalsContact O-CB 3.25Å; L95-N99 WeakPolarHBondContact O-CB 3.33Å; L95-N99 PolarHBondContact O-N 2.96Å; L95-M109 HydrophobicContact CD2-CE 3.35Å; L95-M109 HydrophobicContact CD2-SD 4.19Å; L95-Y133 HydrophobicContact CD1-CD1 4.06Å |
| 96 | T | 87.6 | Confident | 85.3 | Confident | 80 Ų | 80 | 48 Ų | 48 | 49% | 0.491 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65 | -36.5 | 175.8 | -57 | 0 | 0 | 0 | 0 | 112 | Q92 S93 L94 K100 | Q92-T96 WeakPolarHBondContact O-CB 3.27Å; Q92-T96 PolarHBondContact O-N 3.1Å; Q92-T96 PolarHBondContact O-OG1 2.89Å; S93-T96 PolarHBondContact O-N 3.36Å; L94-T96 VanDerWaalsContact C-N 3.28Å; L94-T96 PolarHBondContact O-N 2.81Å; T96-K100 PolarHBondContact O-N 3.15Å |
| 97 | E | 87.4 | Confident | 85.6 | Confident | 47 Ų | 47 | 45.8 Ų | 45.8 | 22% | 0.22 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.5 | -49.7 | 178.1 | -171 | 69.8 | -144.9 | 0 | 0 | 111.5 | S93 L94 L95 N99 K100 K382 | S93-E97 PolarHBondContact O-N 3.22Å; L94-E97 PolarHBondContact O-N 3.1Å; L94-E97 VanDerWaalsContact O-N 3.08Å; L95-E97 VanDerWaalsContact C-N 3.32Å; L95-E97 PolarHBondContact O-N 3.47Å; E97-N99 PolarHBondContact O-N 2.94Å; E97-K100 VanDerWaalsContact O-CB 3.3Å; E97-K100 WeakPolarHBondContact O-CB 3.31Å; E97-K100 PolarHBondContact O-N 2.73Å; E97-K382 HydrophobicContact CG-CD 4.23Å; E97-K382 VanDerWaalsContact OE1-CD 3.28Å; E97-K382 WeakPolarHBondContact OE1-CD 3.35Å; E97-K382 IonicContact OE1-NZ 3.64Å; E97-K382 PolarHBondContact OE1-NZ 3.2Å; E97-K382 IonicContact OE2-NZ 3.04Å; E97-K382 PolarHBondContact OE2-NZ 3.39Å |
| 98 | V | 83.8 | Confident | 85.5 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74.7 | -24.3 | -174.2 | -56.8 | 0 | 0 | 0 | 0 | 113.8 | L94 Y105 L107 M109 L387 | L94-V98 HydrophobicContact CD1-CG1 3.89Å; L94-V98 HydrophobicContact CG-CG1 4.45Å; L94-V98 WeakPolarHBondContact O-CG2 3.43Å; L94-V98 PolarHBondContact O-N 3Å; V98-Y105 PolarHBondContact O-OH 2.76Å; V98-L107 HydrophobicContact CB-CD2 4.34Å; V98-L107 HydrophobicContact CG2-CD2 4.24Å; V98-M109 HydrophobicContact CG2-CE 4.1Å; V98-L387 HydrophobicContact CG1-CD2 4.39Å |
| 99 | N | 81.3 | Confident | 85.2 | Confident | 62 Ų | 62 | 50.9 Ų | 50.9 | 33% | 0.332 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 17.3 | 175.9 | -65.1 | -29.1 | 0 | 0 | 0 | 112.8 | L95 E97 T101 M109 | L95-N99 VanDerWaalsContact O-CB 3.25Å; L95-N99 WeakPolarHBondContact O-CB 3.33Å; L95-N99 PolarHBondContact O-N 2.96Å; E97-N99 PolarHBondContact O-N 2.94Å; N99-T101 PolarHBondContact O-N 3.29Å; N99-M109 WeakPolarHBondContact ND2-CE 3.49Å |
| 100 | K | 83.7 | Confident | 85 | Confident | 124 Ų | 124 | 47 Ų | 47 | 54% | 0.539 | 26% | 0.255 | S | S | . | . | trans | -59.4 | 138.1 | -179.4 | -171.7 | -179.8 | 176.1 | -168.3 | 0 | 110.4 | T96 E97 T103 | T96-K100 PolarHBondContact O-N 3.15Å; E97-K100 VanDerWaalsContact O-CB 3.3Å; E97-K100 WeakPolarHBondContact O-CB 3.31Å; E97-K100 PolarHBondContact O-N 2.73Å; K100-T103 HydrophobicContact CB-CG2 4.49Å; K100-T103 VanDerWaalsContact O-CG2 3.29Å; K100-T103 WeakPolarHBondContact O-CG2 3.29Å | ||
| 101 | T | 78.9 | Confident | 85.1 | Confident | 135 Ų | 135 | 47.9 Ų | 47.9 | 83% | 0.828 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 137.3 | 175.1 | 55.9 | 0 | 0 | 0 | 0 | 110.9 | N99 | N99-T101 PolarHBondContact O-N 3.29Š|
| 102 | G | 78.1 | Confident | 85.3 | Confident | 66 Ų | 66 | 48.9 Ų | 48.9 | 68% | 0.68 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96 | 4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 103 | T | 81.4 | Confident | 85.5 | Confident | 36 Ų | 36 | 46 Ų | 46 | 22% | 0.221 | 25% | 0.25 | C | S | . | . | trans | -59 | 149.7 | 166.8 | 53.7 | 0 | 0 | 0 | 0 | 110.4 | K100 Y105 E246 | K100-T103 HydrophobicContact CB-CG2 4.49Å; K100-T103 VanDerWaalsContact O-CG2 3.29Å; K100-T103 WeakPolarHBondContact O-CG2 3.29Å; T103-Y105 HydrophobicContact CG2-CD1 4.46Å; T103-Y105 HydrophobicContact CG2-CE1 3.78Å; T103-Y105 PolarHBondContact O-N 2.79Å; T103-Y105 PolarHBondContact OG1-O 3Å; T103-E246 WeakPolarHBondContact CG2-OE2 3.49Å | ||
| 104 | Q | 85.7 | Confident | 85.9 | Confident | 121 Ų | 121 | 44.6 Ų | 44.6 | 57% | 0.565 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -87.5 | 7.6 | 177 | -60.8 | -63.4 | -55.8 | 0 | 0 | 112.6 | V243 | Q104-V243 HydrophobicContact CB-CB 4.02Å; Q104-V243 HydrophobicContact CB-CG1 3.69Å; Q104-V243 HydrophobicContact CG-CG1 3.87Å |
| 105 | Y | 86.2 | Confident | 86.4 | Confident | 14 Ų | 14 | 44 Ų | 44 | 6% | 0.055 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 159.7 | 173.2 | 67.6 | -94 | 0 | 0 | 0 | 110.6 | V98 T103 L107 F188 E246 L247 | V98-Y105 PolarHBondContact O-OH 2.76Å; T103-Y105 HydrophobicContact CG2-CD1 4.46Å; T103-Y105 HydrophobicContact CG2-CE1 3.78Å; T103-Y105 PolarHBondContact O-N 2.79Å; T103-Y105 PolarHBondContact OG1-O 3Å; Y105-L107 HydrophobicContact CD2-CB 4.09Å; Y105-L107 HydrophobicContact CE2-CB 3.87Å; Y105-F188 HydrophobicContact CD2-CE2 4.14Å; Y105-F188 HydrophobicContact CG-CE2 4.31Å; Y105-E246 HydrophobicContact CD1-CB 4.44Å; Y105-E246 HydrophobicContact CE1-CB 4.05Å; Y105-E246 WeakPolarHBondContact CE1-OE2 3.05Å; Y105-L247 HydrophobicContact CD1-CD1 3.55Å; Y105-L247 HydrophobicContact CD1-CG 3.76Å; Y105-L247 HydrophobicContact CD2-CD1 3.71Å; Y105-L247 HydrophobicContact CE1-CD1 3.89Å; Y105-L247 HydrophobicContact CE1-CD2 4.22Å; Y105-L247 HydrophobicContact CE1-CG 3.8Å; Y105-L247 HydrophobicContact CE2-CD1 4.07Å; Y105-L247 HydrophobicContact CG-CD1 3.45Å; Y105-L247 VanDerWaalsContact CG-CD1 3.45Å; Y105-L247 HydrophobicContact CG-CG 4.2Å |
| 106 | L | 84.6 | Confident | 86.9 | Confident | 31 Ų | 31 | 43.8 Ų | 43.8 | 16% | 0.162 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 111 | 177 | 172.8 | 67.5 | 0 | 0 | 0 | 109.1 | R108 Y187 F188 R189 | L106-R108 HydrophobicContact CD1-CG 3.93Å; L106-R108 VanDerWaalsContact CD1-NH1 3.34Å; L106-R108 HydrophobicContact CG-CG 4.27Å; L106-Y187 HydrophobicContact CD2-CE1 3.88Å; L106-F188 WeakPolarHBondContact O-CA 3.4Å; L106-R189 WeakPolarHBondContact CA-O 3.31Å; L106-R189 HydrophobicContact CB-CB 4.1Å; L106-R189 HydrophobicContact CD2-CB 4.22Å; L106-R189 HydrophobicContact CG-CB 4.47Å; L106-R189 PolarHBondContact N-O 2.84Å; L106-R189 PolarHBondContact O-N 3.06Å; L106-R189 VanDerWaalsContact O-O 3.11Å |
| 107 | L | 85.4 | Confident | 87.3 | Confident | 9 Ų | 9 | 45 Ų | 45 | 5% | 0.047 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124.1 | 169 | -175.9 | 64.3 | 0 | 0 | 0 | 108.7 | V98 Y105 M109 V186 F188 L387 F388 | V98-L107 HydrophobicContact CB-CD2 4.34Å; V98-L107 HydrophobicContact CG2-CD2 4.24Å; Y105-L107 HydrophobicContact CD2-CB 4.09Å; Y105-L107 HydrophobicContact CE2-CB 3.87Å; L107-M109 HydrophobicContact CD2-CE 4.17Å; L107-M109 HydrophobicContact CD2-SD 4.48Å; L107-M109 HydrophobicContact CG-CG 4.4Å; L107-V186 HydrophobicContact CD1-CG2 4.07Å; L107-F188 HydrophobicContact CD1-CB 4.27Å; L107-F188 HydrophobicContact CD1-CD2 4.36Å; L107-L387 HydrophobicContact CD2-CD1 4.5Å; L107-F388 HydrophobicContact CD1-CE2 3.81Å; L107-F388 HydrophobicContact CD1-CZ 3.77Å |
| 108 | R | 83.3 | Confident | 87.6 | Confident | 111 Ų | 111 | 45.9 Ų | 45.9 | 42% | 0.419 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 114.1 | 176.1 | -66.6 | -67.1 | -179.4 | -109 | 1.8 | 108.9 | L106 E162 V186 Y187 | L106-R108 HydrophobicContact CD1-CG 3.93Å; L106-R108 VanDerWaalsContact CD1-NH1 3.34Å; L106-R108 HydrophobicContact CG-CG 4.27Å; R108-E162 IonicContact NE-OE1 3.69Å; R108-V186 WeakPolarHBondContact O-CA 3.43Å; R108-Y187 HydrophobicContact CB-CD1 4.49Å; R108-Y187 HydrophobicContact CG-CD1 4.47Å; R108-Y187 PolarHBondContact N-O 2.91Å; R108-Y187 PolarHBondContact O-N 3.25Å |
| 109 | M | 83.8 | Confident | 88 | Confident | 38 Ų | 38 | 46 Ų | 46 | 19% | 0.187 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 118.4 | 174.5 | -68.7 | 179.4 | -71 | 0 | 0 | 109.1 | M51 L95 V98 N99 L107 V186 | M51-M109 HydrophobicContact CE-SD 4.48Å; L95-M109 HydrophobicContact CD2-CE 3.35Å; L95-M109 HydrophobicContact CD2-SD 4.19Å; V98-M109 HydrophobicContact CG2-CE 4.1Å; N99-M109 WeakPolarHBondContact ND2-CE 3.49Å; L107-M109 HydrophobicContact CD2-CE 4.17Å; L107-M109 HydrophobicContact CD2-SD 4.48Å; L107-M109 HydrophobicContact CG-CG 4.4Å; M109-V186 HydrophobicContact CG-CG2 4.02Å |
| 110 | A | 84 | Confident | 88.6 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 86.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | W156 K160 T161 A185 | A110-W156 HydrophobicContact CB-CH2 3.91Å; A110-W156 HydrophobicContact CB-CZ3 4.01Å; A110-K160 HydrophobicContact CB-CB 3.55Å; A110-K160 HydrophobicContact CB-CG 4.24Å; A110-T161 HydrophobicContact CB-CG2 4.34Å; A110-A185 HydrophobicContact CB-CB 4.15Å; A110-A185 PolarHBondContact N-O 3.07Å; A110-A185 PolarHBondContact O-N 2.93Å |
| 111 | N | 89.3 | Confident | 89.2 | Confident | 19 Ų | 19 | 43 Ų | 43 | 10% | 0.102 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 119.3 | -178.6 | -59.3 | -12.2 | 0 | 0 | 0 | 108.6 | S52 M59 A135 V183 N184 | S52-N111 PolarHBondContact OG-ND2 3.25Å; S52-N111 PolarHBondContact OG-OD1 3Å; M59-N111 HydrophobicContact CE-CB 3.86Å; N111-A135 WeakPolarHBondContact O-CB 3.07Å; N111-V183 WeakPolarHBondContact CA-O 3.47Å; N111-N184 PolarHBondContact OD1-ND2 3.46Å |
| 112 | R | 93.8 | Very high | 90 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 8% | 0.083 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 144.9 | 179.1 | 177.8 | 163.8 | -70.8 | -169.4 | 2 | 111.5 | F114 E136 E138 W156 V183 | R112-F114 HydrophobicContact CB-CD2 4.46Å; R112-F114 HydrophobicContact CB-CE2 3.85Å; R112-F114 HydrophobicContact CB-CZ 4.15Å; R112-F114 VanDerWaalsContact CD-CE1 3.43Å; R112-F114 HydrophobicContact CG-CD1 4.33Å; R112-F114 HydrophobicContact CG-CD2 4.02Å; R112-F114 HydrophobicContact CG-CE1 3.99Å; R112-F114 HydrophobicContact CG-CE2 3.61Å; R112-F114 HydrophobicContact CG-CG 4.38Å; R112-F114 HydrophobicContact CG-CZ 3.63Å; R112-E136 WeakPolarHBondContact CG-O 3.43Å; R112-E136 IonicContact CZ-OE2 3.57Å; R112-E136 IonicContact NH2-OE2 3.63Å; R112-E136 PolarHBondContact NH2-OE2 3.43Å; R112-E138 IonicContact CZ-OE2 3.95Å; R112-E138 IonicContact NH1-OE2 2.61Å; R112-E138 PolarHBondContact NH1-OE2 2.91Å; R112-W156 HydrophobicContact CB-CH2 3.32Å; R112-W156 HydrophobicContact CB-CZ2 3.74Å; R112-W156 HydrophobicContact CB-CZ3 3.79Å; R112-W156 HydrophobicContact CG-CH2 4.36Å; R112-W156 HydrophobicContact CG-CZ2 4.42Å; R112-W156 VanDerWaalsContact NH1-NE1 3.17Å; R112-V183 PolarHBondContact N-O 3.44Å; R112-V183 PolarHBondContact O-N 3.41Å |
| 113 | L | 95.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 130.1 | 166.2 | -76.7 | 167.3 | 0 | 0 | 0 | 109.1 | M59 V60 F125 M137 E138 L180 L182 | M59-L113 HydrophobicContact CB-CD1 4.29Å; V60-L113 HydrophobicContact CG2-CD1 4.41Å; V60-L113 HydrophobicContact CG2-CD2 3.79Å; L113-F125 HydrophobicContact CD1-CE1 4.04Å; L113-F125 HydrophobicContact CD1-CZ 3.85Å; L113-M137 HydrophobicContact CB-CB 4.48Å; L113-M137 HydrophobicContact CB-CG 4.11Å; L113-M137 WeakPolarHBondContact O-CA 2.91Å; L113-E138 PolarHBondContact O-N 3.39Å; L113-L180 HydrophobicContact CD2-CD1 4.07Å; L113-L180 HydrophobicContact CD2-CG 4.27Å; L113-L182 HydrophobicContact CD2-CB 3.93Å; L113-L182 HydrophobicContact CD2-CD1 3.65Å; L113-L182 HydrophobicContact CD2-CG 4.37Å; L113-L182 HydrophobicContact CG-CD1 4.01Å |
| 114 | F | 97 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 113.6 | 171.9 | -62.4 | -86.4 | 0 | 0 | 0 | 108.9 | R112 E138 L140 F142 I153 W156 L180 V181 V183 | R112-F114 HydrophobicContact CB-CD2 4.46Å; R112-F114 HydrophobicContact CB-CE2 3.85Å; R112-F114 HydrophobicContact CB-CZ 4.15Å; R112-F114 VanDerWaalsContact CD-CE1 3.43Å; R112-F114 HydrophobicContact CG-CD1 4.33Å; R112-F114 HydrophobicContact CG-CD2 4.02Å; R112-F114 HydrophobicContact CG-CE1 3.99Å; R112-F114 HydrophobicContact CG-CE2 3.61Å; R112-F114 HydrophobicContact CG-CG 4.38Å; R112-F114 HydrophobicContact CG-CZ 3.63Å; F114-E138 CarbonylContact C-O 3.56Å; F114-E138 VanDerWaalsContact CA-O 3.26Å; F114-E138 WeakPolarHBondContact CA-O 3.25Å; F114-E138 HydrophobicContact CD1-CB 3.88Å; F114-E138 HydrophobicContact CD1-CG 4.31Å; F114-E138 HydrophobicContact CE1-CB 4.08Å; F114-E138 HydrophobicContact CE1-CG 4.4Å; F114-E138 WeakPolarHBondContact CE1-OE2 3.2Å; F114-L140 HydrophobicContact CB-CD1 4.11Å; F114-L140 HydrophobicContact CD1-CD1 3.45Å; F114-L140 VanDerWaalsContact CD1-CD1 3.45Å; F114-L140 HydrophobicContact CD1-CG 3.98Å; F114-L140 HydrophobicContact CE1-CD1 4.12Å; F114-L140 HydrophobicContact CG-CD1 4.06Å; F114-F142 HydrophobicContact CB-CE2 4.4Å; F114-F142 HydrophobicContact CB-CZ 4.1Å; F114-I153 HydrophobicContact CB-CD1 4.25Å; F114-I153 HydrophobicContact CD1-CD1 4.38Å; F114-I153 HydrophobicContact CD1-CG1 3.91Å; F114-I153 HydrophobicContact CD2-CD1 4.08Å; F114-I153 HydrophobicContact CD2-CG1 3.94Å; F114-I153 HydrophobicContact CD2-CG2 4.45Å; F114-I153 HydrophobicContact CE1-CG1 3.84Å; F114-I153 HydrophobicContact CE2-CB 4.43Å; F114-I153 HydrophobicContact CE2-CD1 4.5Å; F114-I153 HydrophobicContact CE2-CG1 3.9Å; F114-I153 HydrophobicContact CE2-CG2 3.95Å; F114-I153 HydrophobicContact CG-CD1 3.99Å; F114-I153 HydrophobicContact CG-CG1 3.92Å; F114-I153 HydrophobicContact CZ-CB 4.36Å; F114-I153 HydrophobicContact CZ-CG1 3.82Å; F114-I153 HydrophobicContact CZ-CG2 4.26Å; F114-W156 HydrophobicContact CE2-CE3 4.28Å; F114-W156 HydrophobicContact CE2-CZ3 4.38Å; F114-W156 HydrophobicContact CZ-CD2 4.19Å; F114-W156 AromaticContact CZ-CE3 3.89Å; F114-W156 HydrophobicContact CZ-CE3 3.89Å; F114-W156 HydrophobicContact CZ-CZ3 4.36Å; F114-L180 WeakPolarHBondContact O-CA 3.47Å; F114-V181 HydrophobicContact CB-CB 4.34Å; F114-V181 PolarHBondContact N-O 3.35Å; F114-V181 PolarHBondContact O-N 3.31Å; F114-V183 HydrophobicContact CD2-CB 4.3Å; F114-V183 HydrophobicContact CD2-CG2 3.84Å; F114-V183 HydrophobicContact CE2-CB 3.94Å; F114-V183 HydrophobicContact CE2-CG2 3.73Å |
| 115 | G | 96.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 156.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K117 E138 E139 L140 R179 | G115-K117 PolarHBondContact O-N 3.37Å; G115-E138 PolarHBondContact N-O 2.62Å; G115-E139 CarbonylContact O-C 3.57Å; G115-E139 WeakPolarHBondContact O-CA 3.16Å; G115-L140 PolarHBondContact O-N 3.3Å; G115-R179 CarbonylContact C-O 3.6Å; G115-R179 WeakPolarHBondContact CA-O 3.26Å |
| 116 | E | 97.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 124.7 | 164.4 | -137.8 | -54 | 158.2 | 0 | 0 | 109.2 | S118 C119 F121 L140 F142 I143 R179 | E116-S118 PolarHBondContact O-N 3.27Å; E116-S118 WeakPolarHBondContact OE2-CB 3.47Å; E116-S118 PolarHBondContact OE2-N 3.05Å; E116-S118 PolarHBondContact OE2-OG 3.25Å; E116-C119 VanDerWaalsContact O-CB 3.28Å; E116-C119 WeakPolarHBondContact O-CB 3.36Å; E116-C119 PolarHBondContact O-N 3.47Å; E116-F121 WeakPolarHBondContact O-CE2 3.47Å; E116-L140 WeakPolarHBondContact CA-O 3.41Å; E116-F142 HydrophobicContact CB-CD2 4.41Å; E116-F142 HydrophobicContact CG-CB 4.18Å; E116-F142 HydrophobicContact CG-CD2 4.31Å; E116-F142 PolarHBondContact OE1-N 3.15Å; E116-F142 VanDerWaalsContact OE1-N 3.11Å; E116-I143 HydrophobicContact CG-CD1 4.15Å; E116-I143 HydrophobicContact CG-CG1 4.14Å; E116-I143 WeakPolarHBondContact OE1-CG1 3.35Å; E116-I143 PolarHBondContact OE1-N 3.03Å; E116-I143 VanDerWaalsContact OE1-N 3.08Å; E116-R179 PolarHBondContact N-O 2.95Å |
| 117 | K | 95.6 | Very high | 92.7 | Very high | 106 Ų | 106 | 41.9 Ų | 41.9 | 46% | 0.461 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -21 | 172.4 | 66.5 | 172.2 | -171.2 | -178.1 | 0 | 116.7 | G115 C119 E139 L140 D141 | G115-K117 PolarHBondContact O-N 3.37Å; K117-C119 VanDerWaalsContact C-N 3.34Å; K117-E139 HydrophobicContact CB-CB 4.05Å; K117-L140 PolarHBondContact N-O 3.48Å; K117-D141 HydrophobicContact CD-CB 3.91Å; K117-D141 WeakPolarHBondContact CE-OD2 3.3Å; K117-D141 IonicContact NZ-OD1 3.76Å; K117-D141 IonicContact NZ-OD2 2.83Å; K117-D141 PolarHBondContact NZ-OD2 3.08Å |
| 118 | S | 94.6 | Very high | 93 | Very high | 65 Ų | 65 | 43.1 Ų | 43.1 | 46% | 0.455 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -8.3 | 177.3 | 72.3 | 0 | 0 | 0 | 0 | 112.6 | E116 | E116-S118 PolarHBondContact O-N 3.27Å; E116-S118 WeakPolarHBondContact OE2-CB 3.47Å; E116-S118 PolarHBondContact OE2-N 3.05Å; E116-S118 PolarHBondContact OE2-OG 3.25Å |
| 119 | C | 92.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -86.5 | 121.9 | 174 | -63.6 | 0 | 0 | 0 | 0 | 108.7 | E116 K117 F121 L329 | E116-C119 VanDerWaalsContact O-CB 3.28Å; E116-C119 WeakPolarHBondContact O-CB 3.36Å; E116-C119 PolarHBondContact O-N 3.47Å; K117-C119 VanDerWaalsContact C-N 3.34Å; C119-F121 VanDerWaalsContact C-N 3.29Å; C119-F121 HydrophobicContact CB-CD2 4.19Å; C119-F121 HydrophobicContact CB-CE1 4.43Å; C119-F121 HydrophobicContact CB-CE2 3.55Å; C119-F121 HydrophobicContact CB-CZ 3.67Å; C119-F121 WeakPolarHBondContact O-CD2 3.32Å; C119-F121 WeakPolarHBondContact O-CE2 3.41Å; C119-F121 PolarHBondContact O-N 3.29Å; C119-L329 HydrophobicContact CB-CD2 3.88Å; C119-L329 WeakPolarHBondContact SG-CD2 3.49Å |
| 120 | D | 93.7 | Very high | 93.8 | Very high | 110 Ų | 110 | 40.5 Ų | 40.5 | 59% | 0.588 | 22% | 0.22 | S | C | * | . | trans | -75.7 | 74.3 | -173 | -68.7 | -41.3 | 0 | 0 | 0 | 112.3 | S325 Q326 T327 | D120-S325 PolarHBondContact N-OG 3.37Å; D120-S325 WeakPolarHBondContact O-CA 3.49Å; D120-S325 PolarHBondContact O-OG 3.2Å; D120-Q326 HydrophobicContact CB-CB 4.37Å; D120-Q326 PolarHBondContact O-N 3.18Å; D120-T327 PolarHBondContact N-OG1 3Å; D120-T327 VanDerWaalsContact N-OG1 3.11Å | ||
| 121 | F | 96.1 | Very high | 94.2 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 5% | 0.053 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -68.1 | 138.8 | -178.3 | -63.4 | -76.5 | 0 | 0 | 0 | 112.9 | E116 C119 R126 M137 E139 L180 M324 L329 | E116-F121 WeakPolarHBondContact O-CE2 3.47Å; C119-F121 VanDerWaalsContact C-N 3.29Å; C119-F121 HydrophobicContact CB-CD2 4.19Å; C119-F121 HydrophobicContact CB-CE1 4.43Å; C119-F121 HydrophobicContact CB-CE2 3.55Å; C119-F121 HydrophobicContact CB-CZ 3.67Å; C119-F121 WeakPolarHBondContact O-CD2 3.32Å; C119-F121 WeakPolarHBondContact O-CE2 3.41Å; C119-F121 PolarHBondContact O-N 3.29Å; F121-R126 PolarHBondContact O-NH1 2.95Å; F121-R126 PolarHBondContact O-NH2 3.05Å; F121-M137 HydrophobicContact CB-SD 4.45Å; F121-M137 HydrophobicContact CD1-CE 3.33Å; F121-M137 HydrophobicContact CD1-SD 3.84Å; F121-M137 HydrophobicContact CD2-CE 3.74Å; F121-M137 HydrophobicContact CD2-SD 4.49Å; F121-M137 HydrophobicContact CE1-CE 3.11Å; F121-M137 HydrophobicContact CE1-SD 4.2Å; F121-M137 HydrophobicContact CE2-CE 3.54Å; F121-M137 HydrophobicContact CG-CE 3.66Å; F121-M137 HydrophobicContact CG-SD 4.02Å; F121-M137 HydrophobicContact CZ-CE 3.24Å; F121-E139 HydrophobicContact CD2-CG 3.98Å; F121-E139 HydrophobicContact CE2-CG 4.25Å; F121-L180 HydrophobicContact CE1-CD1 4.37Å; F121-L180 HydrophobicContact CZ-CD1 4.35Å; F121-M324 CarbonylContact C-O 3.48Å; F121-M324 WeakPolarHBondContact CA-O 3.19Å; F121-M324 HydrophobicContact CD1-CB 4.41Å; F121-L329 HydrophobicContact CD1-CD1 4.12Å; F121-L329 HydrophobicContact CE1-CD1 3.36Å; F121-L329 HydrophobicContact CE1-CD2 4.47Å; F121-L329 HydrophobicContact CZ-CD1 4.02Å; F121-L329 HydrophobicContact CZ-CD2 4.32Å |
| 122 | L | 96.4 | Very high | 94.3 | Very high | 41 Ų | 41 | 46 Ų | 46 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | trans | -73.4 | 134.5 | -179 | -56.6 | 178.1 | 0 | 0 | 0 | 111.4 | S124 F125 R126 M324 Q326 | L122-S124 VanDerWaalsContact C-N 3.29Å; L122-S124 PolarHBondContact O-N 2.95Å; L122-F125 HydrophobicContact CB-CB 4.17Å; L122-F125 WeakPolarHBondContact O-CB 3.38Å; L122-F125 PolarHBondContact O-N 3.38Å; L122-R126 PolarHBondContact O-N 3.06Å; L122-M324 PolarHBondContact N-O 3.5Å; L122-Q326 HydrophobicContact CD2-CG 4Å | ||
| 123 | S | 94.8 | Very high | 94.1 | Very high | 83 Ų | 83 | 45.7 Ų | 45.7 | 58% | 0.58 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -59.7 | -40.9 | 173.5 | 52.4 | 0 | 0 | 0 | 0 | 112 | F125 R126 D127 | S123-F125 PolarHBondContact O-N 3.04Å; S123-R126 PolarHBondContact O-N 3.46Å; S123-R126 VanDerWaalsContact O-N 3.14Å; S123-D127 VanDerWaalsContact O-CG 3.28Å; S123-D127 PolarHBondContact O-N 2.94Å |
| 124 | S | 94.8 | Very high | 93.8 | Very high | 69 Ų | 69 | 50.7 Ų | 50.7 | 48% | 0.483 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.2 | -33.6 | 177 | 55 | 0 | 0 | 0 | 0 | 113.4 | L122 S128 | L122-S124 VanDerWaalsContact C-N 3.29Å; L122-S124 PolarHBondContact O-N 2.95Å; S124-S128 WeakPolarHBondContact O-CB 3.44Å; S124-S128 PolarHBondContact O-N 3.35Å; S124-S128 VanDerWaalsContact O-N 3.13Å; S124-S128 PolarHBondContact O-OG 3.28Å |
| 125 | F | 94.6 | Very high | 93.4 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69 | -49.5 | 174.4 | 179.1 | -107.6 | 0 | 0 | 0 | 110.8 | M62 L113 L122 S123 D127 S128 C129 M137 M324 | M62-F125 HydrophobicContact CB-CE2 4.35Å; L113-F125 HydrophobicContact CD1-CE1 4.04Å; L113-F125 HydrophobicContact CD1-CZ 3.85Å; L122-F125 HydrophobicContact CB-CB 4.17Å; L122-F125 WeakPolarHBondContact O-CB 3.38Å; L122-F125 PolarHBondContact O-N 3.38Å; S123-F125 PolarHBondContact O-N 3.04Å; F125-D127 VanDerWaalsContact C-N 3.33Å; F125-D127 PolarHBondContact O-N 3.07Å; F125-S128 PolarHBondContact O-N 2.8Å; F125-S128 VanDerWaalsContact O-N 3.07Å; F125-C129 PolarHBondContact O-N 3.2Å; F125-C129 PolarHBondContact O-SG 3.31Å; F125-M137 HydrophobicContact CD1-SD 3.96Å; F125-M137 HydrophobicContact CE1-SD 3.75Å; F125-M324 HydrophobicContact CD1-CB 4.2Å; F125-M324 HydrophobicContact CD1-CG 4.27Å; F125-M324 HydrophobicContact CD2-CG 4.06Å; F125-M324 HydrophobicContact CE1-CB 4.26Å; F125-M324 HydrophobicContact CE1-CG 3.96Å; F125-M324 HydrophobicContact CE1-SD 4.22Å; F125-M324 HydrophobicContact CE2-CE 4.14Å; F125-M324 HydrophobicContact CE2-CG 3.76Å; F125-M324 HydrophobicContact CE2-SD 4.44Å; F125-M324 HydrophobicContact CG-CB 4.35Å; F125-M324 HydrophobicContact CG-CG 4.32Å; F125-M324 HydrophobicContact CZ-CB 4.48Å; F125-M324 HydrophobicContact CZ-CE 3.86Å; F125-M324 HydrophobicContact CZ-CG 3.71Å; F125-M324 HydrophobicContact CZ-SD 3.9Å |
| 126 | R | 93.9 | Very high | 92.8 | Very high | 73 Ų | 73 | 56.1 Ų | 56.1 | 28% | 0.275 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57 | -45.4 | 176.7 | -59.7 | -171.7 | -168.5 | 87.5 | -11.1 | 111.6 | F121 L122 S123 S128 C129 Q130 M137 E139 | F121-R126 PolarHBondContact O-NH1 2.95Å; F121-R126 PolarHBondContact O-NH2 3.05Å; L122-R126 PolarHBondContact O-N 3.06Å; S123-R126 PolarHBondContact O-N 3.46Å; S123-R126 VanDerWaalsContact O-N 3.14Å; R126-S128 VanDerWaalsContact C-N 3.27Å; R126-S128 PolarHBondContact O-N 2.9Å; R126-C129 WeakPolarHBondContact O-CB 3.47Å; R126-C129 PolarHBondContact O-N 2.98Å; R126-Q130 PolarHBondContact O-N 3.39Å; R126-Q130 VanDerWaalsContact O-N 3.11Å; R126-M137 HydrophobicContact CG-CB 4.37Å; R126-E139 IonicContact CZ-OE1 3.83Å; R126-E139 VanDerWaalsContact CZ-OE1 3.25Å; R126-E139 IonicContact NE-OE1 2.6Å; R126-E139 PolarHBondContact NE-OE1 2.91Å; R126-E139 VanDerWaalsContact NE-OE1 3.16Å; R126-E139 IonicContact NH2-OE1 3.6Å; R126-E139 PolarHBondContact NH2-OE1 3.47Å; R126-E139 IonicContact NH2-OE2 3.33Å |
| 127 | D | 93.8 | Very high | 92.5 | Very high | 108 Ų | 108 | 57 Ų | 57 | 58% | 0.578 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.6 | -37.9 | 177.1 | -69.1 | -20.6 | 0 | 0 | 0 | 112 | S123 F125 K131 | S123-D127 VanDerWaalsContact O-CG 3.28Å; S123-D127 PolarHBondContact O-N 2.94Å; F125-D127 VanDerWaalsContact C-N 3.33Å; F125-D127 PolarHBondContact O-N 3.07Å; D127-K131 VanDerWaalsContact O-CB 3.23Å; D127-K131 WeakPolarHBondContact O-CB 3.3Å; D127-K131 PolarHBondContact O-N 3.43Å |
| 128 | S | 92.4 | Very high | 92.5 | Very high | 35 Ų | 35 | 54.1 Ų | 54.1 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.7 | -39.3 | 179.5 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | M62 S124 F125 R126 Q130 K131 F132 | M62-S128 WeakPolarHBondContact SD-CB 3.29Å; S124-S128 WeakPolarHBondContact O-CB 3.44Å; S124-S128 PolarHBondContact O-N 3.35Å; S124-S128 VanDerWaalsContact O-N 3.13Å; S124-S128 PolarHBondContact O-OG 3.28Å; F125-S128 PolarHBondContact O-N 2.8Å; F125-S128 VanDerWaalsContact O-N 3.07Å; R126-S128 VanDerWaalsContact C-N 3.27Å; R126-S128 PolarHBondContact O-N 2.9Å; S128-Q130 VanDerWaalsContact C-N 3.33Å; S128-Q130 PolarHBondContact O-N 3.43Å; S128-K131 PolarHBondContact O-N 2.96Å; S128-F132 VanDerWaalsContact O-CD2 3.23Å; S128-F132 WeakPolarHBondContact O-CD2 3.46Å; S128-F132 PolarHBondContact O-N 3.33Å |
| 129 | C | 92.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.3 | -49.3 | 170.7 | -69.9 | 0 | 0 | 0 | 0 | 111.1 | F125 R126 Y133 Q134 A135 | F125-C129 PolarHBondContact O-N 3.2Å; F125-C129 PolarHBondContact O-SG 3.31Å; R126-C129 WeakPolarHBondContact O-CB 3.47Å; R126-C129 PolarHBondContact O-N 2.98Å; C129-Y133 WeakPolarHBondContact O-CA 3.47Å; C129-Y133 WeakPolarHBondContact O-CB 3.04Å; C129-Y133 PolarHBondContact O-N 2.92Å; C129-Q134 PolarHBondContact O-N 2.94Å; C129-A135 CarbonylContact C-O 3.56Å; C129-A135 WeakPolarHBondContact CB-O 3.49Å |
| 130 | Q | 91.8 | Very high | 92.8 | Very high | 93 Ų | 93 | 55.1 Ų | 55.1 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 178.9 | -174.5 | 61.1 | 23.5 | 0 | 0 | 111.6 | R126 S128 Q134 A135 | R126-Q130 PolarHBondContact O-N 3.39Å; R126-Q130 VanDerWaalsContact O-N 3.11Å; S128-Q130 VanDerWaalsContact C-N 3.33Å; S128-Q130 PolarHBondContact O-N 3.43Å; Q130-Q134 WeakPolarHBondContact O-CA 3.34Å; Q130-Q134 PolarHBondContact O-N 2.92Å; Q130-Q134 VanDerWaalsContact O-N 3.11Å; Q130-A135 PolarHBondContact N-O 3.46Å |
| 131 | K | 92.1 | Very high | 93 | Very high | 121 Ų | 121 | 51.5 Ų | 51.5 | 53% | 0.526 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.6 | -49.3 | -177.7 | 177.9 | -177 | 173.8 | -173.1 | 0 | 112.7 | Q92 D127 S128 | Q92-K131 PolarHBondContact NE2-O 3.13Å; D127-K131 VanDerWaalsContact O-CB 3.23Å; D127-K131 WeakPolarHBondContact O-CB 3.3Å; D127-K131 PolarHBondContact O-N 3.43Å; S128-K131 PolarHBondContact O-N 2.96Å |
| 132 | F | 90.4 | Very high | 93.1 | Very high | 16 Ų | 16 | 51 Ų | 51 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -92.4 | -29 | -169.9 | -65.2 | -64.3 | 0 | 0 | 0 | 113.4 | M62 H88 Q89 Q92 S128 | M62-F132 HydrophobicContact CE-CB 4.15Å; M62-F132 HydrophobicContact CE-CD2 3.38Å; M62-F132 HydrophobicContact CE-CE2 4.08Å; M62-F132 HydrophobicContact CE-CG 4.1Å; M62-F132 HydrophobicContact SD-CD2 4.41Å; H88-F132 HydrophobicContact CB-CB 4.05Å; H88-F132 HydrophobicContact CB-CD1 3.89Å; H88-F132 HydrophobicContact CB-CD2 3.98Å; H88-F132 HydrophobicContact CB-CE1 4.27Å; H88-F132 HydrophobicContact CB-CE2 4.33Å; H88-F132 HydrophobicContact CB-CG 3.71Å; H88-F132 HydrophobicContact CB-CZ 4.46Å; Q89-F132 HydrophobicContact CG-CD1 4.38Å; Q89-F132 HydrophobicContact CG-CE1 3.72Å; Q92-F132 WeakPolarHBondContact CA-O 3.28Å; Q92-F132 HydrophobicContact CB-CD1 4.31Å; Q92-F132 WeakPolarHBondContact CB-O 3.41Å; Q92-F132 PolarHBondContact N-O 3.32Å; S128-F132 VanDerWaalsContact O-CD2 3.23Å; S128-F132 WeakPolarHBondContact O-CD2 3.46Å; S128-F132 PolarHBondContact O-N 3.33Å |
| 133 | Y | 90.3 | Very high | 93.1 | Very high | 14 Ų | 14 | 52.7 Ų | 52.7 | 6% | 0.055 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -119.9 | -3.3 | -171.5 | -62.5 | -82.5 | 0 | 0 | 0 | 114.5 | C55 A58 M59 M62 H88 F91 L95 C129 A135 | C55-Y133 HydrophobicContact CB-CD1 4.26Å; C55-Y133 HydrophobicContact CB-CE1 4.4Å; C55-Y133 WeakPolarHBondContact O-CE1 3.45Å; A58-Y133 HydrophobicContact CB-CE1 4.04Å; A58-Y133 WeakPolarHBondContact CB-OH 3.36Å; A58-Y133 PolarHBondContact O-OH 3.11Å; M59-Y133 HydrophobicContact CB-CD2 4.42Å; M59-Y133 HydrophobicContact CB-CE2 4.46Å; M59-Y133 HydrophobicContact CG-CD1 3.8Å; M59-Y133 HydrophobicContact CG-CD2 3.32Å; M59-Y133 HydrophobicContact CG-CE1 4.18Å; M59-Y133 HydrophobicContact CG-CE2 3.72Å; M59-Y133 HydrophobicContact CG-CG 3.35Å; M59-Y133 HydrophobicContact SD-CD2 4.25Å; M59-Y133 HydrophobicContact SD-CG 3.95Å; M62-Y133 HydrophobicContact CE-CD2 4.21Å; M62-Y133 HydrophobicContact CE-CE2 3.53Å; H88-Y133 AromaticContact ND1-CE2 3.88Å; H88-Y133 AromaticContact ND1-CZ 3.75Å; H88-Y133 PolarHBondContact ND1-OH 3.45Å; F91-Y133 HydrophobicContact CB-CD1 4.22Å; F91-Y133 HydrophobicContact CB-CE1 3.54Å; F91-Y133 HydrophobicContact CD1-CE1 4.42Å; F91-Y133 AromaticContact CD2-CE1 3.96Å; F91-Y133 HydrophobicContact CD2-CE1 3.96Å; F91-Y133 AromaticContact CG-CE1 3.74Å; F91-Y133 HydrophobicContact CG-CE1 3.74Å; L95-Y133 HydrophobicContact CD1-CD1 4.06Å; C129-Y133 WeakPolarHBondContact O-CA 3.47Å; C129-Y133 WeakPolarHBondContact O-CB 3.04Å; C129-Y133 PolarHBondContact O-N 2.92Å; Y133-A135 PolarHBondContact O-N 2.83Å; Y133-A135 VanDerWaalsContact O-N 3.13Å |
| 134 | Q | 88.1 | Confident | 93.2 | Very high | 107 Ų | 107 | 53.4 Ų | 53.4 | 50% | 0.5 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 53.9 | 30.5 | -174.1 | -52 | 173.2 | 16.3 | 0 | 0 | 111.5 | C129 Q130 | C129-Q134 PolarHBondContact O-N 2.94Å; Q130-Q134 WeakPolarHBondContact O-CA 3.34Å; Q130-Q134 PolarHBondContact O-N 2.92Å; Q130-Q134 VanDerWaalsContact O-N 3.11Å |
| 135 | A | 88.3 | Confident | 93.3 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | trans | -122.8 | 133.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | M59 N111 C129 Q130 Y133 | M59-A135 HydrophobicContact CE-CB 4.16Å; M59-A135 HydrophobicContact SD-CB 3.5Å; M59-A135 VanDerWaalsContact SD-CB 3.5Å; N111-A135 WeakPolarHBondContact O-CB 3.07Å; C129-A135 CarbonylContact C-O 3.56Å; C129-A135 WeakPolarHBondContact CB-O 3.49Å; Q130-A135 PolarHBondContact N-O 3.46Å; Y133-A135 PolarHBondContact O-N 2.83Å; Y133-A135 VanDerWaalsContact O-N 3.13Å | ||
| 136 | E | 86.4 | Confident | 93.5 | Very high | 107 Ų | 107 | 52.5 Ų | 52.5 | 50% | 0.5 | 27% | 0.269 | S | S | . | . | trans | -87 | 151.5 | 174.6 | -64.8 | 172.3 | 167.9 | 0 | 0 | 109.9 | R112 | R112-E136 WeakPolarHBondContact CG-O 3.43Å; R112-E136 IonicContact CZ-OE2 3.57Å; R112-E136 IonicContact NH2-OE2 3.63Å; R112-E136 PolarHBondContact NH2-OE2 3.43Å | ||
| 137 | M | 90.7 | Very high | 93.6 | Very high | 19 Ų | 19 | 52.8 Ų | 52.8 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 134.9 | 161.3 | 179.5 | 171.4 | -168.2 | 0 | 0 | 108.5 | L113 F121 F125 R126 L180 | L113-M137 HydrophobicContact CB-CB 4.48Å; L113-M137 HydrophobicContact CB-CG 4.11Å; L113-M137 WeakPolarHBondContact O-CA 2.91Å; F121-M137 HydrophobicContact CB-SD 4.45Å; F121-M137 HydrophobicContact CD1-CE 3.33Å; F121-M137 HydrophobicContact CD1-SD 3.84Å; F121-M137 HydrophobicContact CD2-CE 3.74Å; F121-M137 HydrophobicContact CD2-SD 4.49Å; F121-M137 HydrophobicContact CE1-CE 3.11Å; F121-M137 HydrophobicContact CE1-SD 4.2Å; F121-M137 HydrophobicContact CE2-CE 3.54Å; F121-M137 HydrophobicContact CG-CE 3.66Å; F121-M137 HydrophobicContact CG-SD 4.02Å; F121-M137 HydrophobicContact CZ-CE 3.24Å; F125-M137 HydrophobicContact CD1-SD 3.96Å; F125-M137 HydrophobicContact CE1-SD 3.75Å; R126-M137 HydrophobicContact CG-CB 4.37Å; M137-L180 HydrophobicContact CE-CD1 3.84Å |
| 138 | E | 95.1 | Very high | 93.8 | Very high | 46 Ų | 46 | 55.4 Ų | 55.4 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 141.3 | -179.9 | -174.7 | 170.2 | -176.1 | 0 | 0 | 110.9 | R112 L113 F114 G115 L140 H152 | R112-E138 IonicContact CZ-OE2 3.95Å; R112-E138 IonicContact NH1-OE2 2.61Å; R112-E138 PolarHBondContact NH1-OE2 2.91Å; L113-E138 PolarHBondContact O-N 3.39Å; F114-E138 CarbonylContact C-O 3.56Å; F114-E138 VanDerWaalsContact CA-O 3.26Å; F114-E138 WeakPolarHBondContact CA-O 3.25Å; F114-E138 HydrophobicContact CD1-CB 3.88Å; F114-E138 HydrophobicContact CD1-CG 4.31Å; F114-E138 HydrophobicContact CE1-CB 4.08Å; F114-E138 HydrophobicContact CE1-CG 4.4Å; F114-E138 WeakPolarHBondContact CE1-OE2 3.2Å; G115-E138 PolarHBondContact N-O 2.62Å; E138-L140 HydrophobicContact CG-CD2 4.21Å; E138-H152 VanDerWaalsContact CD-NE2 3.34Å; E138-H152 IonicContact OE1-CD2 3.03Å; E138-H152 IonicContact OE1-CE1 3.62Å; E138-H152 IonicContact OE1-NE2 3.19Å; E138-H152 PolarHBondContact OE1-NE2 2.64Å; E138-H152 IonicContact OE2-NE2 3.25Å; E138-H152 PolarHBondContact OE2-NE2 3.31Å |
| 139 | E | 96.6 | Very high | 94.1 | Very high | 73 Ų | 73 | 54 Ų | 54 | 34% | 0.341 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 128.4 | 177.7 | -78.5 | 159.7 | -118.9 | 0 | 0 | 110.5 | G115 K117 F121 R126 | G115-E139 CarbonylContact O-C 3.57Å; G115-E139 WeakPolarHBondContact O-CA 3.16Å; K117-E139 HydrophobicContact CB-CB 4.05Å; F121-E139 HydrophobicContact CD2-CG 3.98Å; F121-E139 HydrophobicContact CE2-CG 4.25Å; R126-E139 IonicContact CZ-OE1 3.83Å; R126-E139 VanDerWaalsContact CZ-OE1 3.25Å; R126-E139 IonicContact NE-OE1 2.6Å; R126-E139 PolarHBondContact NE-OE1 2.91Å; R126-E139 VanDerWaalsContact NE-OE1 3.16Å; R126-E139 IonicContact NH2-OE1 3.6Å; R126-E139 PolarHBondContact NH2-OE1 3.47Å; R126-E139 IonicContact NH2-OE2 3.33Å |
| 140 | L | 97.4 | Very high | 94.4 | Very high | 17 Ų | 17 | 54.8 Ų | 54.8 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 159.5 | -179 | -61.5 | -178.8 | 0 | 0 | 0 | 110.7 | F114 G115 E116 K117 E138 F142 I153 | F114-L140 HydrophobicContact CB-CD1 4.11Å; F114-L140 HydrophobicContact CD1-CD1 3.45Å; F114-L140 VanDerWaalsContact CD1-CD1 3.45Å; F114-L140 HydrophobicContact CD1-CG 3.98Å; F114-L140 HydrophobicContact CE1-CD1 4.12Å; F114-L140 HydrophobicContact CG-CD1 4.06Å; G115-L140 PolarHBondContact O-N 3.3Å; E116-L140 WeakPolarHBondContact CA-O 3.41Å; K117-L140 PolarHBondContact N-O 3.48Å; E138-L140 HydrophobicContact CG-CD2 4.21Å; L140-F142 HydrophobicContact CB-CD2 4.46Å; L140-F142 HydrophobicContact CB-CE2 4.08Å; L140-F142 HydrophobicContact CB-CZ 4.15Å; L140-F142 HydrophobicContact CD1-CE1 4.46Å; L140-F142 HydrophobicContact CD1-CZ 4.04Å; L140-F142 PolarHBondContact O-N 3.39Å; L140-I153 HydrophobicContact CD1-CD1 3.81Å; L140-I153 HydrophobicContact CD1-CG1 3.68Å |
| 141 | D | 97.6 | Very high | 94.6 | Very high | 34 Ų | 34 | 56.1 Ų | 56.1 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | trans | -93.5 | 84.5 | 177.6 | -171.5 | -9.9 | 0 | 0 | 0 | 109 | K117 I143 S144 A145 S149 | K117-D141 HydrophobicContact CD-CB 3.91Å; K117-D141 WeakPolarHBondContact CE-OD2 3.3Å; K117-D141 IonicContact NZ-OD1 3.76Å; K117-D141 IonicContact NZ-OD2 2.83Å; K117-D141 PolarHBondContact NZ-OD2 3.08Å; D141-I143 VanDerWaalsContact C-N 3.34Å; D141-S144 WeakPolarHBondContact OD1-CA 2.87Å; D141-S144 VanDerWaalsContact OD1-CB 3.28Å; D141-S144 WeakPolarHBondContact OD1-CB 3.42Å; D141-S144 PolarHBondContact OD1-N 3.35Å; D141-S144 PolarHBondContact OD1-OG 2.83Å; D141-S144 WeakPolarHBondContact OD2-CB 3.15Å; D141-A145 HydrophobicContact CB-CB 4.02Å; D141-A145 CarbonylContact O-C 3.54Å; D141-A145 WeakPolarHBondContact O-CA 3.28Å; D141-A145 PolarHBondContact O-N 3.45Å; D141-S149 PolarHBondContact N-OG 2.87Å; D141-S149 PolarHBondContact O-OG 3.39Å | ||
| 142 | F | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -23.7 | 175.9 | -65.4 | -69 | 0 | 0 | 0 | 111.2 | F114 E116 L140 V146 I153 V174 P176 T178 V181 | F114-F142 HydrophobicContact CB-CE2 4.4Å; F114-F142 HydrophobicContact CB-CZ 4.1Å; E116-F142 HydrophobicContact CB-CD2 4.41Å; E116-F142 HydrophobicContact CG-CB 4.18Å; E116-F142 HydrophobicContact CG-CD2 4.31Å; E116-F142 PolarHBondContact OE1-N 3.15Å; E116-F142 VanDerWaalsContact OE1-N 3.11Å; L140-F142 HydrophobicContact CB-CD2 4.46Å; L140-F142 HydrophobicContact CB-CE2 4.08Å; L140-F142 HydrophobicContact CB-CZ 4.15Å; L140-F142 HydrophobicContact CD1-CE1 4.46Å; L140-F142 HydrophobicContact CD1-CZ 4.04Å; L140-F142 PolarHBondContact O-N 3.39Å; F142-V146 WeakPolarHBondContact O-CG2 3.41Å; F142-I153 HydrophobicContact CE1-CD1 4.08Å; F142-I153 HydrophobicContact CZ-CD1 4.01Å; F142-V174 HydrophobicContact CE1-CG1 4.49Å; F142-P176 WeakPolarHBondContact O-CA 3.42Å; F142-T178 HydrophobicContact CB-CG2 4.44Å; F142-T178 HydrophobicContact CD1-CG2 3.98Å; F142-T178 HydrophobicContact CD2-CG2 3.96Å; F142-T178 HydrophobicContact CE1-CG2 4.16Å; F142-T178 HydrophobicContact CE2-CG2 4.13Å; F142-T178 HydrophobicContact CG-CG2 3.87Å; F142-T178 HydrophobicContact CZ-CG2 4.23Å; F142-V181 HydrophobicContact CE1-CG2 4.47Å; F142-V181 HydrophobicContact CE2-CG2 4.45Å; F142-V181 HydrophobicContact CZ-CG2 3.98Å |
| 143 | I | 96.1 | Very high | 95.2 | Very high | 77 Ų | 77 | 53.1 Ų | 53.1 | 40% | 0.395 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -49.1 | -178.7 | -67.2 | 167.6 | 0 | 0 | 0 | 111.8 | E116 D141 | E116-I143 HydrophobicContact CG-CD1 4.15Å; E116-I143 HydrophobicContact CG-CG1 4.14Å; E116-I143 WeakPolarHBondContact OE1-CG1 3.35Å; E116-I143 PolarHBondContact OE1-N 3.03Å; E116-I143 VanDerWaalsContact OE1-N 3.08Å; D141-I143 VanDerWaalsContact C-N 3.34Å |
| 144 | S | 97.3 | Very high | 95.5 | Very high | 99 Ų | 99 | 53 Ų | 53 | 69% | 0.692 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | -17.4 | -171.1 | -42.6 | 0 | 0 | 0 | 0 | 113.2 | D141 | D141-S144 WeakPolarHBondContact OD1-CA 2.87Å; D141-S144 VanDerWaalsContact OD1-CB 3.28Å; D141-S144 WeakPolarHBondContact OD1-CB 3.42Å; D141-S144 PolarHBondContact OD1-N 3.35Å; D141-S144 PolarHBondContact OD1-OG 2.83Å; D141-S144 WeakPolarHBondContact OD2-CB 3.15Å |
| 145 | A | 97.3 | Very high | 95.9 | Very high | 28 Ų | 28 | 51.6 Ų | 51.6 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | trans | -138 | 39 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114 | D141 E147 K148 S149 | D141-A145 HydrophobicContact CB-CB 4.02Å; D141-A145 CarbonylContact O-C 3.54Å; D141-A145 WeakPolarHBondContact O-CA 3.28Å; D141-A145 PolarHBondContact O-N 3.45Å; A145-E147 PolarHBondContact O-N 3.44Å; A145-K148 HydrophobicContact CB-CB 4.11Å; A145-K148 WeakPolarHBondContact O-CA 3.43Å; A145-K148 WeakPolarHBondContact O-CB 3.33Å; A145-K148 PolarHBondContact O-N 2.98Å; A145-S149 PolarHBondContact O-N 3.14Å; A145-S149 PolarHBondContact O-OG 2.94Å | ||
| 146 | V | 97.3 | Very high | 96.3 | Very high | 27 Ų | 27 | 52.3 Ų | 52.3 | 16% | 0.164 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -39 | -59.1 | -178.1 | -175.9 | 0 | 0 | 0 | 0 | 113.5 | F142 K148 S149 R150 V174 P176 | F142-V146 WeakPolarHBondContact O-CG2 3.41Å; V146-K148 VanDerWaalsContact C-N 3.32Å; V146-K148 PolarHBondContact O-N 3.35Å; V146-S149 WeakPolarHBondContact O-CB 3.43Å; V146-S149 PolarHBondContact O-N 3.3Å; V146-R150 PolarHBondContact O-N 3.32Å; V146-V174 HydrophobicContact CG1-CG2 3.86Å; V146-V174 WeakPolarHBondContact CG1-O 3.42Å; V146-P176 HydrophobicContact CG2-CG 3.81Å |
| 147 | E | 97.6 | Very high | 96.6 | Very high | 79 Ų | 79 | 47.2 Ų | 47.2 | 37% | 0.369 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.6 | -29.9 | -175.2 | -82.4 | -60 | 122.2 | 0 | 0 | 113.1 | A145 R150 K151 | A145-E147 PolarHBondContact O-N 3.44Å; E147-R150 IonicContact OE1-NE 2.56Å; E147-R150 PolarHBondContact OE1-NE 3.09Å; E147-R150 IonicContact OE2-CZ 2.74Å; E147-R150 IonicContact OE2-NE 2.63Å; E147-R150 PolarHBondContact OE2-NE 2.89Å; E147-R150 IonicContact OE2-NH2 2.94Å; E147-R150 PolarHBondContact OE2-NH2 3.27Å; E147-K151 WeakPolarHBondContact O-CB 3.47Å; E147-K151 VanDerWaalsContact O-CG 3.28Å; E147-K151 WeakPolarHBondContact O-CG 3.19Å; E147-K151 PolarHBondContact O-N 3.2Å |
| 148 | K | 97.9 | Very high | 96.7 | Very high | 164 Ų | 164 | 47.4 Ų | 47.4 | 71% | 0.713 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -68 | -45.6 | 173.7 | -173.2 | -176.8 | 176.5 | -174 | 0 | 109.8 | A145 V146 K151 H152 | A145-K148 HydrophobicContact CB-CB 4.11Å; A145-K148 WeakPolarHBondContact O-CA 3.43Å; A145-K148 WeakPolarHBondContact O-CB 3.33Å; A145-K148 PolarHBondContact O-N 2.98Å; V146-K148 VanDerWaalsContact C-N 3.32Å; V146-K148 PolarHBondContact O-N 3.35Å; K148-K151 PolarHBondContact O-N 3.05Å; K148-H152 WeakPolarHBondContact O-CB 3.46Å; K148-H152 PolarHBondContact O-N 3.42Å |
| 149 | S | 98.1 | Very high | 96.6 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.5 | -45 | 176.7 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | D141 A145 V146 H152 I153 | D141-S149 PolarHBondContact N-OG 2.87Å; D141-S149 PolarHBondContact O-OG 3.39Å; A145-S149 PolarHBondContact O-N 3.14Å; A145-S149 PolarHBondContact O-OG 2.94Å; V146-S149 WeakPolarHBondContact O-CB 3.43Å; V146-S149 PolarHBondContact O-N 3.3Å; S149-H152 WeakPolarHBondContact O-CB 3.33Å; S149-H152 PolarHBondContact O-N 3.39Å; S149-I153 WeakPolarHBondContact O-CG1 3.19Å; S149-I153 PolarHBondContact O-N 3.27Å |
| 150 | R | 97.8 | Very high | 96.2 | Very high | 16 Ų | 16 | 53.2 Ų | 53.2 | 6% | 0.06 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.9 | -49.6 | 175 | -171.3 | -169.3 | 66.4 | 87.5 | -2 | 112.4 | V146 E147 H152 I153 N154 E167 L169 S170 V174 | V146-R150 PolarHBondContact O-N 3.32Å; E147-R150 IonicContact OE1-NE 2.56Å; E147-R150 PolarHBondContact OE1-NE 3.09Å; E147-R150 IonicContact OE2-CZ 2.74Å; E147-R150 IonicContact OE2-NE 2.63Å; E147-R150 PolarHBondContact OE2-NE 2.89Å; E147-R150 IonicContact OE2-NH2 2.94Å; E147-R150 PolarHBondContact OE2-NH2 3.27Å; R150-H152 VanDerWaalsContact C-N 3.34Å; R150-H152 PolarHBondContact O-N 2.74Å; R150-I153 PolarHBondContact O-N 3.19Å; R150-N154 PolarHBondContact NH1-ND2 2.97Å; R150-N154 PolarHBondContact O-N 2.64Å; R150-N154 VanDerWaalsContact O-N 3.1Å; R150-E167 IonicContact NH1-OE1 3.94Å; R150-E167 PolarHBondContact NH1-OE1 2.87Å; R150-L169 HydrophobicContact CG-CB 3.77Å; R150-L169 HydrophobicContact CG-CD1 4.4Å; R150-L169 PolarHBondContact NH1-O 3.25Å; R150-S170 VanDerWaalsContact CD-O 3.27Å; R150-S170 WeakPolarHBondContact CD-O 3.44Å; R150-V174 HydrophobicContact CB-CG2 3.79Å; R150-V174 HydrophobicContact CG-CG2 4.04Å |
| 151 | K | 97.8 | Very high | 95.7 | Very high | 122 Ų | 122 | 52.4 Ų | 52.4 | 53% | 0.53 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 179.5 | -75 | 177.7 | -178 | -178.1 | 0 | 111.8 | E147 K148 I153 N154 T155 | E147-K151 WeakPolarHBondContact O-CB 3.47Å; E147-K151 VanDerWaalsContact O-CG 3.28Å; E147-K151 WeakPolarHBondContact O-CG 3.19Å; E147-K151 PolarHBondContact O-N 3.2Å; K148-K151 PolarHBondContact O-N 3.05Å; K151-I153 VanDerWaalsContact C-N 3.35Å; K151-I153 PolarHBondContact O-N 2.94Å; K151-N154 PolarHBondContact O-N 2.79Å; K151-T155 PolarHBondContact O-N 3Å; K151-T155 PolarHBondContact O-OG1 2.98Å |
| 152 | H | 97.8 | Very high | 95.2 | Very high | 73 Ų | 73 | 55.6 Ų | 55.6 | 34% | 0.338 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.3 | -47.1 | 175 | 178.7 | 75.4 | 0 | 0 | 0 | 112 | E138 K148 S149 R150 N154 T155 W156 | E138-H152 VanDerWaalsContact CD-NE2 3.34Å; E138-H152 IonicContact OE1-CD2 3.03Å; E138-H152 IonicContact OE1-CE1 3.62Å; E138-H152 IonicContact OE1-NE2 3.19Å; E138-H152 PolarHBondContact OE1-NE2 2.64Å; E138-H152 IonicContact OE2-NE2 3.25Å; E138-H152 PolarHBondContact OE2-NE2 3.31Å; K148-H152 WeakPolarHBondContact O-CB 3.46Å; K148-H152 PolarHBondContact O-N 3.42Å; S149-H152 WeakPolarHBondContact O-CB 3.33Å; S149-H152 PolarHBondContact O-N 3.39Å; R150-H152 VanDerWaalsContact C-N 3.34Å; R150-H152 PolarHBondContact O-N 2.74Å; H152-N154 PolarHBondContact O-N 3.07Å; H152-T155 PolarHBondContact O-N 2.96Å; H152-W156 WeakPolarHBondContact O-CB 3.35Å; H152-W156 PolarHBondContact O-N 2.78Å |
| 153 | I | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.1 | -48 | 175.7 | -67 | 167.1 | 0 | 0 | 0 | 110.8 | F114 L140 F142 S149 R150 K151 T155 W156 V157 L169 V183 | F114-I153 HydrophobicContact CB-CD1 4.25Å; F114-I153 HydrophobicContact CD1-CD1 4.38Å; F114-I153 HydrophobicContact CD1-CG1 3.91Å; F114-I153 HydrophobicContact CD2-CD1 4.08Å; F114-I153 HydrophobicContact CD2-CG1 3.94Å; F114-I153 HydrophobicContact CD2-CG2 4.45Å; F114-I153 HydrophobicContact CE1-CG1 3.84Å; F114-I153 HydrophobicContact CE2-CB 4.43Å; F114-I153 HydrophobicContact CE2-CD1 4.5Å; F114-I153 HydrophobicContact CE2-CG1 3.9Å; F114-I153 HydrophobicContact CE2-CG2 3.95Å; F114-I153 HydrophobicContact CG-CD1 3.99Å; F114-I153 HydrophobicContact CG-CG1 3.92Å; F114-I153 HydrophobicContact CZ-CB 4.36Å; F114-I153 HydrophobicContact CZ-CG1 3.82Å; F114-I153 HydrophobicContact CZ-CG2 4.26Å; L140-I153 HydrophobicContact CD1-CD1 3.81Å; L140-I153 HydrophobicContact CD1-CG1 3.68Å; F142-I153 HydrophobicContact CE1-CD1 4.08Å; F142-I153 HydrophobicContact CZ-CD1 4.01Å; S149-I153 WeakPolarHBondContact O-CG1 3.19Å; S149-I153 PolarHBondContact O-N 3.27Å; R150-I153 PolarHBondContact O-N 3.19Å; K151-I153 VanDerWaalsContact C-N 3.35Å; K151-I153 PolarHBondContact O-N 2.94Å; I153-T155 PolarHBondContact O-N 3.41Å; I153-W156 PolarHBondContact O-N 3.26Å; I153-V157 HydrophobicContact CG2-CG2 4.4Å; I153-V157 VanDerWaalsContact O-CG2 3.29Å; I153-V157 WeakPolarHBondContact O-CG2 3.43Å; I153-V157 PolarHBondContact O-N 2.7Å; I153-L169 HydrophobicContact CB-CD1 4.02Å; I153-L169 HydrophobicContact CD1-CD1 3.66Å; I153-L169 HydrophobicContact CG1-CD1 4.44Å; I153-L169 HydrophobicContact CG2-CD1 3.68Å; I153-L169 HydrophobicContact CG2-CG 4.23Å; I153-V183 HydrophobicContact CG2-CG2 3.73Å |
| 154 | N | 96.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 56.9 Ų | 56.9 | 7% | 0.07 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 179.1 | -76.9 | -22.3 | 0 | 0 | 0 | 112.7 | R150 K151 H152 W156 V157 A158 L168 L169 | R150-N154 PolarHBondContact NH1-ND2 2.97Å; R150-N154 PolarHBondContact O-N 2.64Å; R150-N154 VanDerWaalsContact O-N 3.1Å; K151-N154 PolarHBondContact O-N 2.79Å; H152-N154 PolarHBondContact O-N 3.07Å; N154-W156 PolarHBondContact O-N 2.79Å; N154-V157 PolarHBondContact O-N 2.99Å; N154-A158 WeakPolarHBondContact O-CB 3.28Å; N154-A158 PolarHBondContact O-N 3.26Å; N154-L168 PolarHBondContact OD1-N 2.75Å; N154-L169 PolarHBondContact ND2-O 3.14Å; N154-L169 PolarHBondContact OD1-N 2.65Å |
| 155 | T | 96.7 | Very high | 93.9 | Very high | 77 Ų | 77 | 52.2 Ų | 52.2 | 47% | 0.472 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 175.8 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | K151 H152 I153 V157 A158 E159 | K151-T155 PolarHBondContact O-N 3Å; K151-T155 PolarHBondContact O-OG1 2.98Å; H152-T155 PolarHBondContact O-N 2.96Å; I153-T155 PolarHBondContact O-N 3.41Å; T155-V157 PolarHBondContact O-N 3.08Å; T155-A158 PolarHBondContact O-N 3.03Å; T155-E159 WeakPolarHBondContact O-CG 3.34Å; T155-E159 PolarHBondContact O-N 3.19Å |
| 156 | W | 95.3 | Very high | 93.5 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 8% | 0.083 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.4 | -43 | 177 | 176.4 | 86 | 0 | 0 | 0 | 112.3 | A110 R112 F114 H152 I153 N154 E159 K160 V183 | A110-W156 HydrophobicContact CB-CH2 3.91Å; A110-W156 HydrophobicContact CB-CZ3 4.01Å; R112-W156 HydrophobicContact CB-CH2 3.32Å; R112-W156 HydrophobicContact CB-CZ2 3.74Å; R112-W156 HydrophobicContact CB-CZ3 3.79Å; R112-W156 HydrophobicContact CG-CH2 4.36Å; R112-W156 HydrophobicContact CG-CZ2 4.42Å; R112-W156 VanDerWaalsContact NH1-NE1 3.17Å; F114-W156 HydrophobicContact CE2-CE3 4.28Å; F114-W156 HydrophobicContact CE2-CZ3 4.38Å; F114-W156 HydrophobicContact CZ-CD2 4.19Å; F114-W156 AromaticContact CZ-CE3 3.89Å; F114-W156 HydrophobicContact CZ-CE3 3.89Å; F114-W156 HydrophobicContact CZ-CZ3 4.36Å; H152-W156 WeakPolarHBondContact O-CB 3.35Å; H152-W156 PolarHBondContact O-N 2.78Å; I153-W156 PolarHBondContact O-N 3.26Å; N154-W156 PolarHBondContact O-N 2.79Å; W156-E159 PolarHBondContact O-N 2.81Å; W156-K160 HydrophobicContact CD2-CG 4.2Å; W156-K160 HydrophobicContact CH2-CG 4.47Å; W156-K160 HydrophobicContact CZ2-CG 3.95Å; W156-K160 VanDerWaalsContact O-CG 3.3Å; W156-K160 WeakPolarHBondContact O-CG 3.29Å; W156-K160 PolarHBondContact O-N 2.81Å; W156-V183 HydrophobicContact CZ3-CG1 3.93Å |
| 157 | V | 92.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 176.3 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | I153 N154 T155 E159 K160 T161 I165 L168 V183 A185 | I153-V157 HydrophobicContact CG2-CG2 4.4Å; I153-V157 VanDerWaalsContact O-CG2 3.29Å; I153-V157 WeakPolarHBondContact O-CG2 3.43Å; I153-V157 PolarHBondContact O-N 2.7Å; N154-V157 PolarHBondContact O-N 2.99Å; T155-V157 PolarHBondContact O-N 3.08Å; V157-E159 VanDerWaalsContact C-N 3.34Å; V157-E159 PolarHBondContact O-N 3.42Å; V157-K160 PolarHBondContact O-N 2.95Å; V157-T161 HydrophobicContact CG1-CG2 4.29Å; V157-T161 WeakPolarHBondContact O-CB 3.17Å; V157-T161 WeakPolarHBondContact O-CG2 3.39Å; V157-T161 PolarHBondContact O-N 2.93Å; V157-T161 PolarHBondContact O-OG1 2.95Å; V157-I165 HydrophobicContact CG1-CB 4.04Å; V157-I165 HydrophobicContact CG1-CG2 3.66Å; V157-L168 HydrophobicContact CG1-CB 4.32Å; V157-L168 HydrophobicContact CG2-CB 4.3Å; V157-L168 HydrophobicContact CG2-CD2 3.81Å; V157-V183 HydrophobicContact CG2-CG1 3.68Å; V157-A185 HydrophobicContact CG1-CB 3.67Å |
| 158 | A | 93 | Very high | 92.8 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60 | -45 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | N154 T155 K160 T161 E162 G163 I165 | N154-A158 WeakPolarHBondContact O-CB 3.28Å; N154-A158 PolarHBondContact O-N 3.26Å; T155-A158 PolarHBondContact O-N 3.03Å; A158-K160 PolarHBondContact O-N 3.37Å; A158-T161 CarbonylContact O-C 3.45Å; A158-T161 PolarHBondContact O-N 3.5Å; A158-T161 PolarHBondContact O-OG1 3.22Å; A158-E162 PolarHBondContact O-N 3.33Å; A158-G163 WeakPolarHBondContact O-CA 3.38Å; A158-G163 PolarHBondContact O-N 2.85Å; A158-I165 VanDerWaalsContact CA-O 3.24Å; A158-I165 WeakPolarHBondContact CA-O 3.45Å; A158-I165 PolarHBondContact N-O 2.79Å |
| 159 | E | 92.6 | Very high | 92.6 | Very high | 139 Ų | 139 | 46.4 Ų | 46.4 | 65% | 0.65 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.6 | -44.7 | 176.1 | -71.9 | 173.8 | -176.6 | 0 | 0 | 112.3 | T155 W156 V157 T161 | T155-E159 WeakPolarHBondContact O-CG 3.34Å; T155-E159 PolarHBondContact O-N 3.19Å; W156-E159 PolarHBondContact O-N 2.81Å; V157-E159 VanDerWaalsContact C-N 3.34Å; V157-E159 PolarHBondContact O-N 3.42Å; E159-T161 VanDerWaalsContact C-N 3.25Å; E159-T161 PolarHBondContact O-N 3.05Å |
| 160 | K | 88.8 | Confident | 92.4 | Very high | 102 Ų | 102 | 49.2 Ų | 49.2 | 44% | 0.443 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -71.7 | -18.7 | -179 | -65.9 | -62.2 | 179.1 | -173.2 | 0 | 114.1 | A110 W156 V157 A158 | A110-K160 HydrophobicContact CB-CB 3.55Å; A110-K160 HydrophobicContact CB-CG 4.24Å; W156-K160 HydrophobicContact CD2-CG 4.2Å; W156-K160 HydrophobicContact CH2-CG 4.47Å; W156-K160 HydrophobicContact CZ2-CG 3.95Å; W156-K160 VanDerWaalsContact O-CG 3.3Å; W156-K160 WeakPolarHBondContact O-CG 3.29Å; W156-K160 PolarHBondContact O-N 2.81Å; V157-K160 PolarHBondContact O-N 2.95Å; A158-K160 PolarHBondContact O-N 3.37Å |
| 161 | T | 86.6 | Confident | 92.3 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 18.9 | -177.9 | 60.7 | 0 | 0 | 0 | 0 | 112.7 | A110 V157 A158 E159 G163 K164 I165 A185 | A110-T161 HydrophobicContact CB-CG2 4.34Å; V157-T161 HydrophobicContact CG1-CG2 4.29Å; V157-T161 WeakPolarHBondContact O-CB 3.17Å; V157-T161 WeakPolarHBondContact O-CG2 3.39Å; V157-T161 PolarHBondContact O-N 2.93Å; V157-T161 PolarHBondContact O-OG1 2.95Å; A158-T161 CarbonylContact O-C 3.45Å; A158-T161 PolarHBondContact O-N 3.5Å; A158-T161 PolarHBondContact O-OG1 3.22Å; E159-T161 VanDerWaalsContact C-N 3.25Å; E159-T161 PolarHBondContact O-N 3.05Å; T161-G163 PolarHBondContact O-N 2.84Å; T161-G163 VanDerWaalsContact O-N 3.14Å; T161-K164 WeakPolarHBondContact O-CB 3.27Å; T161-K164 PolarHBondContact O-N 2.91Å; T161-I165 HydrophobicContact CG2-CB 4.24Å; T161-I165 HydrophobicContact CG2-CD1 4.09Å; T161-I165 HydrophobicContact CG2-CG1 4.41Å; T161-I165 WeakPolarHBondContact OG1-CB 3.38Å; T161-I165 PolarHBondContact OG1-N 3.4Å; T161-A185 HydrophobicContact CG2-CB 4.13Å |
| 162 | E | 87.4 | Confident | 92.1 | Very high | 101 Ų | 101 | 50.2 Ų | 50.2 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 32.7 | -180 | -58.3 | -175.7 | 177.9 | 0 | 0 | 113.1 | R108 A158 K164 | R108-E162 IonicContact NE-OE1 3.69Å; A158-E162 PolarHBondContact O-N 3.33Å; E162-K164 PolarHBondContact O-N 3.04Å |
| 163 | G | 89.6 | Confident | 91.9 | Very high | 47 Ų | 47 | 47.6 Ų | 47.6 | 49% | 0.485 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | -1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | A158 T161 I165 | A158-G163 WeakPolarHBondContact O-CA 3.38Å; A158-G163 PolarHBondContact O-N 2.85Å; T161-G163 PolarHBondContact O-N 2.84Å; T161-G163 VanDerWaalsContact O-N 3.14Å; G163-I165 VanDerWaalsContact C-N 3.26Å; G163-I165 PolarHBondContact O-N 3.3Å |
| 164 | K | 88 | Confident | 91.8 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 25% | 0.252 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -69.2 | -25.1 | 179.7 | -63.2 | -74.8 | -172 | 165.3 | 0 | 112.2 | T161 E162 Y187 F339 E341 E348 | T161-K164 WeakPolarHBondContact O-CB 3.27Å; T161-K164 PolarHBondContact O-N 2.91Å; E162-K164 PolarHBondContact O-N 3.04Å; K164-Y187 HydrophobicContact CB-CD2 4.31Å; K164-Y187 HydrophobicContact CD-CE2 4.4Å; K164-Y187 HydrophobicContact CG-CD2 4.12Å; K164-Y187 HydrophobicContact CG-CE1 4.42Å; K164-Y187 HydrophobicContact CG-CE2 3.9Å; K164-F339 HydrophobicContact CB-CG 4.5Å; K164-F339 HydrophobicContact CD-CE1 4.17Å; K164-F339 HydrophobicContact CD-CZ 4.06Å; K164-E341 IonicContact NZ-OE2 3.45Å; K164-E348 IonicContact NZ-OE2 3.37Å; K164-E348 PolarHBondContact NZ-OE2 3.15Å |
| 165 | I | 86.4 | Confident | 91.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -119.4 | 90.1 | 173 | -59.5 | 173.6 | 0 | 0 | 0 | 109.3 | V157 A158 T161 G163 L168 A185 K337 | V157-I165 HydrophobicContact CG1-CB 4.04Å; V157-I165 HydrophobicContact CG1-CG2 3.66Å; A158-I165 VanDerWaalsContact CA-O 3.24Å; A158-I165 WeakPolarHBondContact CA-O 3.45Å; A158-I165 PolarHBondContact N-O 2.79Å; T161-I165 HydrophobicContact CG2-CB 4.24Å; T161-I165 HydrophobicContact CG2-CD1 4.09Å; T161-I165 HydrophobicContact CG2-CG1 4.41Å; T161-I165 WeakPolarHBondContact OG1-CB 3.38Å; T161-I165 PolarHBondContact OG1-N 3.4Å; G163-I165 VanDerWaalsContact C-N 3.26Å; G163-I165 PolarHBondContact O-N 3.3Å; I165-L168 HydrophobicContact CG2-CD1 4.5Å; I165-A185 HydrophobicContact CD1-CB 3.96Å; I165-K337 HydrophobicContact CD1-CB 4.36Å; I165-K337 HydrophobicContact CD1-CG 4.05Å; I165-K337 HydrophobicContact CG1-CG 4.39Å; I165-K337 HydrophobicContact CG2-CB 4.48Å; I165-K337 HydrophobicContact CG2-CD 3.6Å; I165-K337 HydrophobicContact CG2-CG 4.04Å | ||
| 166 | A | 88.3 | Confident | 91.8 | Very high | 69 Ų | 69 | 50.3 Ų | 50.3 | 57% | 0.57 | 30% | 0.304 | S | S | * | . | trans | -80.6 | -40.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 167 | E | 90.2 | Very high | 91.7 | Very high | 95 Ų | 95 | 55.6 Ų | 55.6 | 44% | 0.444 | 33% | 0.333 | S | S | . | . | trans | -125.8 | 114 | 177.6 | -173.1 | 161.6 | -140.8 | 0 | 0 | 109.8 | R150 K337 | R150-E167 IonicContact NH1-OE1 3.94Å; R150-E167 PolarHBondContact NH1-OE1 2.87Å; E167-K337 PolarHBondContact O-NZ 3.4Å | ||
| 168 | L | 91.2 | Very high | 91.9 | Very high | 11 Ų | 11 | 55.9 Ų | 55.9 | 6% | 0.058 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -98 | -47.3 | 174.1 | -176.2 | 78.5 | 0 | 0 | 0 | 110.7 | N154 V157 I165 V183 A185 V335 K337 | N154-L168 PolarHBondContact OD1-N 2.75Å; V157-L168 HydrophobicContact CG1-CB 4.32Å; V157-L168 HydrophobicContact CG2-CB 4.3Å; V157-L168 HydrophobicContact CG2-CD2 3.81Å; I165-L168 HydrophobicContact CG2-CD1 4.5Å; L168-V183 HydrophobicContact CD2-CB 4.05Å; L168-V183 HydrophobicContact CD2-CG1 3.32Å; L168-V183 HydrophobicContact CD2-CG2 3.73Å; L168-A185 HydrophobicContact CD1-CB 4.49Å; L168-V335 HydrophobicContact CD1-CG1 3.77Å; L168-V335 HydrophobicContact CD2-CB 4.41Å; L168-V335 HydrophobicContact CD2-CG1 4.38Å; L168-V335 HydrophobicContact CG-CB 4.38Å; L168-V335 HydrophobicContact CG-CG1 3.85Å; L168-K337 HydrophobicContact CD1-CB 3.28Å; L168-K337 HydrophobicContact CD1-CD 4.02Å; L168-K337 HydrophobicContact CD1-CG 4.24Å |
| 169 | L | 93.9 | Very high | 92 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -102.9 | 110.2 | -179.7 | -65 | -175.7 | 0 | 0 | 0 | 109.9 | R150 I153 N154 S173 V174 K333 V335 | R150-L169 HydrophobicContact CG-CB 3.77Å; R150-L169 HydrophobicContact CG-CD1 4.4Å; R150-L169 PolarHBondContact NH1-O 3.25Å; I153-L169 HydrophobicContact CB-CD1 4.02Å; I153-L169 HydrophobicContact CD1-CD1 3.66Å; I153-L169 HydrophobicContact CG1-CD1 4.44Å; I153-L169 HydrophobicContact CG2-CD1 3.68Å; I153-L169 HydrophobicContact CG2-CG 4.23Å; N154-L169 PolarHBondContact ND2-O 3.14Å; N154-L169 PolarHBondContact OD1-N 2.65Å; L169-S173 WeakPolarHBondContact CB-OG 3.41Å; L169-V174 HydrophobicContact CD1-CG1 4.12Å; L169-K333 HydrophobicContact CD2-CD 4.22Å; L169-V335 HydrophobicContact CD2-CB 4.45Å; L169-V335 HydrophobicContact CD2-CG2 3.66Å |
| 170 | S | 94 | Very high | 92.2 | Very high | 66 Ų | 66 | 51.3 Ų | 51.3 | 46% | 0.462 | 31% | 0.307 | S | S | . | . | trans | -68.1 | 160.1 | 174.4 | 54.6 | 0 | 0 | 0 | 0 | 112.2 | R150 G172 S173 | R150-S170 VanDerWaalsContact CD-O 3.27Å; R150-S170 WeakPolarHBondContact CD-O 3.44Å; S170-G172 PolarHBondContact O-N 2.79Å; S170-S173 PolarHBondContact N-OG 2.84Å; S170-S173 WeakPolarHBondContact O-CB 3.37Å; S170-S173 PolarHBondContact O-N 3.38Å; S170-S173 VanDerWaalsContact O-N 3.15Å; S170-S173 PolarHBondContact O-OG 2.84Å | ||
| 171 | P | 94.8 | Very high | 92.5 | Very high | 90 Ų | 90 | 46.4 Ų | 46.4 | 58% | 0.584 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 138.7 | 172.4 | -25.4 | 35.2 | 0 | 0 | 0 | 112 | S173 | P171-S173 PolarHBondContact O-N 2.81Š|
| 172 | G | 93.2 | Very high | 93 | Very high | 68 Ų | 68 | 46.4 Ų | 46.4 | 70% | 0.701 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 3.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S170 V174 | S170-G172 PolarHBondContact O-N 2.79Å; G172-V174 VanDerWaalsContact C-N 3.3Å |
| 173 | S | 92.8 | Very high | 93.3 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -81.2 | -10.9 | -178.5 | 78.7 | 0 | 0 | 0 | 0 | 113.7 | L169 S170 P171 K333 | L169-S173 WeakPolarHBondContact CB-OG 3.41Å; S170-S173 PolarHBondContact N-OG 2.84Å; S170-S173 WeakPolarHBondContact O-CB 3.37Å; S170-S173 PolarHBondContact O-N 3.38Å; S170-S173 VanDerWaalsContact O-N 3.15Å; S170-S173 PolarHBondContact O-OG 2.84Å; P171-S173 PolarHBondContact O-N 2.81Å; S173-K333 VanDerWaalsContact CB-NZ 3.27Å; S173-K333 VanDerWaalsContact O-CD 3.3Å; S173-K333 WeakPolarHBondContact O-CD 3.49Å; S173-K333 PolarHBondContact O-NZ 2.72Å |
| 174 | V | 95.8 | Very high | 93.5 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 4% | 0.036 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -134.7 | 155.5 | 169.8 | -68.3 | 0 | 0 | 0 | 0 | 108.3 | F142 V146 R150 L169 G172 T178 V181 | F142-V174 HydrophobicContact CE1-CG1 4.49Å; V146-V174 HydrophobicContact CG1-CG2 3.86Å; V146-V174 WeakPolarHBondContact CG1-O 3.42Å; R150-V174 HydrophobicContact CB-CG2 3.79Å; R150-V174 HydrophobicContact CG-CG2 4.04Å; L169-V174 HydrophobicContact CD1-CG1 4.12Å; G172-V174 VanDerWaalsContact C-N 3.3Å; V174-T178 HydrophobicContact CB-CG2 4.43Å; V174-T178 HydrophobicContact CG1-CG2 4.3Å; V174-V181 HydrophobicContact CG1-CG2 4.18Å |
| 175 | D | 96 | Very high | 93.6 | Very high | 73 Ų | 73 | 36.8 Ų | 36.8 | 39% | 0.39 | 23% | 0.229 | S | C | . | . | trans | -148.7 | 176.4 | -172.4 | 67 | 24.1 | 0 | 0 | 0 | 111.9 | L177 T178 | D175-L177 PolarHBondContact O-N 2.98Å; D175-L177 VanDerWaalsContact O-N 3.12Å; D175-L177 VanDerWaalsContact OD1-CA 3.3Å; D175-L177 WeakPolarHBondContact OD1-CA 3.43Å; D175-L177 WeakPolarHBondContact OD1-CB 3.49Å; D175-L177 PolarHBondContact OD1-N 3.23Å; D175-T178 PolarHBondContact N-OG1 3.47Å; D175-T178 WeakPolarHBondContact O-CB 3.39Å; D175-T178 PolarHBondContact O-N 2.63Å; D175-T178 PolarHBondContact O-OG1 3.4Å; D175-T178 PolarHBondContact OD1-N 3.15Å; D175-T178 PolarHBondContact OD1-OG1 2.62Å | ||
| 176 | P | 96.6 | Very high | 93.8 | Very high | 69 Ų | 69 | 36.8 Ų | 36.8 | 45% | 0.448 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -12.5 | 178 | -24.8 | 36.2 | 0 | 0 | 0 | 115.6 | F142 V146 R179 | F142-P176 WeakPolarHBondContact O-CA 3.42Å; V146-P176 HydrophobicContact CG2-CG 3.81Å; P176-R179 PolarHBondContact O-NH1 3.47Å |
| 177 | L | 94.1 | Very high | 93.7 | Very high | 132 Ų | 132 | 33.7 Ų | 33.7 | 69% | 0.691 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -8.4 | 174.4 | -59.7 | 179.5 | 0 | 0 | 0 | 112.2 | D175 R179 | D175-L177 PolarHBondContact O-N 2.98Å; D175-L177 VanDerWaalsContact O-N 3.12Å; D175-L177 VanDerWaalsContact OD1-CA 3.3Å; D175-L177 WeakPolarHBondContact OD1-CA 3.43Å; D175-L177 WeakPolarHBondContact OD1-CB 3.49Å; D175-L177 PolarHBondContact OD1-N 3.23Å; L177-R179 VanDerWaalsContact C-NH1 3.31Å; L177-R179 PolarHBondContact O-N 3.14Å; L177-R179 PolarHBondContact O-NH1 3.48Å |
| 178 | T | 96.1 | Very high | 93.5 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 4% | 0.043 | 18% | 0.182 | C | C | . | . | trans | -62.4 | 130.3 | 176.5 | -60.4 | 0 | 0 | 0 | 0 | 110.5 | F142 V174 D175 V181 | F142-T178 HydrophobicContact CB-CG2 4.44Å; F142-T178 HydrophobicContact CD1-CG2 3.98Å; F142-T178 HydrophobicContact CD2-CG2 3.96Å; F142-T178 HydrophobicContact CE1-CG2 4.16Å; F142-T178 HydrophobicContact CE2-CG2 4.13Å; F142-T178 HydrophobicContact CG-CG2 3.87Å; F142-T178 HydrophobicContact CZ-CG2 4.23Å; V174-T178 HydrophobicContact CB-CG2 4.43Å; V174-T178 HydrophobicContact CG1-CG2 4.3Å; D175-T178 PolarHBondContact N-OG1 3.47Å; D175-T178 WeakPolarHBondContact O-CB 3.39Å; D175-T178 PolarHBondContact O-N 2.63Å; D175-T178 PolarHBondContact O-OG1 3.4Å; D175-T178 PolarHBondContact OD1-N 3.15Å; D175-T178 PolarHBondContact OD1-OG1 2.62Å; T178-V181 HydrophobicContact CG2-CG2 3.4Å; T178-V181 VanDerWaalsContact CG2-CG2 3.4Å | ||
| 179 | R | 94.8 | Very high | 93.2 | Very high | 64 Ų | 64 | 32.3 Ų | 32.3 | 24% | 0.242 | 19% | 0.193 | C | C | . | . | trans | -121.3 | -40.8 | -179.3 | -64.4 | -62.6 | 175.2 | -92.7 | -0.2 | 113 | G115 E116 P176 L177 L329 S332 | G115-R179 CarbonylContact C-O 3.6Å; G115-R179 WeakPolarHBondContact CA-O 3.26Å; E116-R179 PolarHBondContact N-O 2.95Å; P176-R179 PolarHBondContact O-NH1 3.47Å; L177-R179 VanDerWaalsContact C-NH1 3.31Å; L177-R179 PolarHBondContact O-N 3.14Å; L177-R179 PolarHBondContact O-NH1 3.48Å; R179-L329 HydrophobicContact CB-CD2 3.99Å; R179-S332 PolarHBondContact N-OG 2.94Å | ||
| 180 | L | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 122.8 | -178.9 | -171.1 | 63.8 | 0 | 0 | 0 | 110.7 | L113 F114 F121 M137 M324 L331 S332 K333 | L113-L180 HydrophobicContact CD2-CD1 4.07Å; L113-L180 HydrophobicContact CD2-CG 4.27Å; F114-L180 WeakPolarHBondContact O-CA 3.47Å; F121-L180 HydrophobicContact CE1-CD1 4.37Å; F121-L180 HydrophobicContact CZ-CD1 4.35Å; M137-L180 HydrophobicContact CE-CD1 3.84Å; L180-M324 HydrophobicContact CD2-SD 3.87Å; L180-L331 HydrophobicContact CB-CD2 4.48Å; L180-L331 HydrophobicContact CD2-CD2 3.72Å; L180-L331 HydrophobicContact CD2-CG 4.45Å; L180-L331 HydrophobicContact CG-CD2 3.94Å; L180-S332 PolarHBondContact N-OG 2.99Å; L180-S332 WeakPolarHBondContact O-CB 3.18Å; L180-S332 PolarHBondContact O-N 3.31Å; L180-K333 PolarHBondContact O-N 2.85Å |
| 181 | V | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 123 | 177.3 | 179.3 | 0 | 0 | 0 | 0 | 109 | F114 F142 V174 T178 V183 K333 | F114-V181 HydrophobicContact CB-CB 4.34Å; F114-V181 PolarHBondContact N-O 3.35Å; F114-V181 PolarHBondContact O-N 3.31Å; F142-V181 HydrophobicContact CE1-CG2 4.47Å; F142-V181 HydrophobicContact CE2-CG2 4.45Å; F142-V181 HydrophobicContact CZ-CG2 3.98Å; V174-V181 HydrophobicContact CG1-CG2 4.18Å; T178-V181 HydrophobicContact CG2-CG2 3.4Å; T178-V181 VanDerWaalsContact CG2-CG2 3.4Å; V181-V183 HydrophobicContact CG1-CG2 4.02Å; V181-K333 WeakPolarHBondContact CA-O 3.43Å; V181-K333 HydrophobicContact CG1-CB 4.2Å; V181-K333 HydrophobicContact CG2-CB 4.18Å |
| 182 | L | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.4 | 168.6 | 178.5 | 62.5 | 0 | 0 | 0 | 109.6 | A56 L57 M59 V60 L113 L331 K333 V334 V335 | A56-L182 HydrophobicContact CB-CD1 3.94Å; A56-L182 HydrophobicContact CB-CD2 3.94Å; A56-L182 HydrophobicContact CB-CG 4.19Å; A56-L182 WeakPolarHBondContact O-CD2 3.43Å; L57-L182 HydrophobicContact CD2-CD2 3.85Å; L57-L182 HydrophobicContact CG-CD2 4.29Å; M59-L182 HydrophobicContact CE-CD1 4.36Å; V60-L182 HydrophobicContact CG2-CD1 4.42Å; V60-L182 HydrophobicContact CG2-CD2 3.89Å; L113-L182 HydrophobicContact CD2-CB 3.93Å; L113-L182 HydrophobicContact CD2-CD1 3.65Å; L113-L182 HydrophobicContact CD2-CG 4.37Å; L113-L182 HydrophobicContact CG-CD1 4.01Å; L182-L331 HydrophobicContact CB-CD2 4.45Å; L182-K333 PolarHBondContact N-O 3.04Å; L182-V334 HydrophobicContact CB-CG1 4.3Å; L182-V334 HydrophobicContact CB-CG2 4.15Å; L182-V334 HydrophobicContact CD2-CG1 3.94Å; L182-V334 HydrophobicContact CD2-CG2 4.42Å; L182-V334 HydrophobicContact CG-CG1 4.32Å; L182-V334 WeakPolarHBondContact O-CA 3.32Å; L182-V335 PolarHBondContact O-N 3.12Å |
| 183 | V | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.8 | 174.3 | 166.2 | 0 | 0 | 0 | 0 | 109.7 | N111 R112 F114 I153 W156 V157 L168 V181 | N111-V183 WeakPolarHBondContact CA-O 3.47Å; R112-V183 PolarHBondContact N-O 3.44Å; R112-V183 PolarHBondContact O-N 3.41Å; F114-V183 HydrophobicContact CD2-CB 4.3Å; F114-V183 HydrophobicContact CD2-CG2 3.84Å; F114-V183 HydrophobicContact CE2-CB 3.94Å; F114-V183 HydrophobicContact CE2-CG2 3.73Å; I153-V183 HydrophobicContact CG2-CG2 3.73Å; W156-V183 HydrophobicContact CZ3-CG1 3.93Å; V157-V183 HydrophobicContact CG2-CG1 3.68Å; L168-V183 HydrophobicContact CD2-CB 4.05Å; L168-V183 HydrophobicContact CD2-CG1 3.32Å; L168-V183 HydrophobicContact CD2-CG2 3.73Å; V181-V183 HydrophobicContact CG1-CG2 4.02Å |
| 184 | N | 93.3 | Very high | 93 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 99.4 | 175 | -176.5 | -116.4 | 0 | 0 | 0 | 109.9 | S52 M53 A56 N111 V335 H336 K337 | S52-N184 VanDerWaalsContact C-ND2 3.27Å; S52-N184 PolarHBondContact O-ND2 3.02Å; S52-N184 PolarHBondContact OG-ND2 2.94Å; M53-N184 WeakPolarHBondContact CG-OD1 3.34Å; M53-N184 PolarHBondContact N-OD1 2.97Å; A56-N184 HydrophobicContact CB-CB 3.98Å; N111-N184 PolarHBondContact OD1-ND2 3.46Å; N184-V335 PolarHBondContact N-O 3.14Å; N184-H336 CarbonylContact O-C 3.57Å; N184-H336 VanDerWaalsContact O-CA 3.28Å; N184-H336 WeakPolarHBondContact O-CA 3.47Å; N184-H336 PolarHBondContact O-ND1 3.45Å; N184-H336 PolarHBondContact OD1-CE1 3.18Å; N184-H336 PolarHBondContact OD1-ND1 3.14Å; N184-K337 PolarHBondContact O-N 3.45Å |
| 185 | A | 90.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 141.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | A110 V157 T161 I165 L168 K337 | A110-A185 HydrophobicContact CB-CB 4.15Å; A110-A185 PolarHBondContact N-O 3.07Å; A110-A185 PolarHBondContact O-N 2.93Å; V157-A185 HydrophobicContact CG1-CB 3.67Å; T161-A185 HydrophobicContact CG2-CB 4.13Å; I165-A185 HydrophobicContact CD1-CB 3.96Å; L168-A185 HydrophobicContact CD1-CB 4.49Å; A185-K337 VanDerWaalsContact CA-O 3.3Å; A185-K337 WeakPolarHBondContact CA-O 3.38Å |
| 186 | V | 89.1 | Confident | 92.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 135.5 | -175.2 | 63.2 | 0 | 0 | 0 | 0 | 111 | L107 R108 M109 K337 F339 F388 | L107-V186 HydrophobicContact CD1-CG2 4.07Å; R108-V186 WeakPolarHBondContact O-CA 3.43Å; M109-V186 HydrophobicContact CG-CG2 4.02Å; V186-K337 PolarHBondContact N-O 2.9Å; V186-K337 VanDerWaalsContact N-O 3.09Å; V186-F339 PolarHBondContact O-N 2.99Å; V186-F388 HydrophobicContact CB-CE1 4.43Å; V186-F388 HydrophobicContact CG1-CE1 3.81Å; V186-F388 HydrophobicContact CG1-CZ 4.47Å; V186-F388 HydrophobicContact CG2-CE1 3.77Å; V186-F388 HydrophobicContact CG2-CZ 3.55Å |
| 187 | Y | 86.4 | Confident | 92.7 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 2% | 0.02 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 131.4 | 175.6 | 170.4 | -122.7 | 0 | 0 | 0 | 109.2 | L106 R108 K164 R189 F339 | L106-Y187 HydrophobicContact CD2-CE1 3.88Å; R108-Y187 HydrophobicContact CB-CD1 4.49Å; R108-Y187 HydrophobicContact CG-CD1 4.47Å; R108-Y187 PolarHBondContact N-O 2.91Å; R108-Y187 PolarHBondContact O-N 3.25Å; K164-Y187 HydrophobicContact CB-CD2 4.31Å; K164-Y187 HydrophobicContact CD-CE2 4.4Å; K164-Y187 HydrophobicContact CG-CD2 4.12Å; K164-Y187 HydrophobicContact CG-CE1 4.42Å; K164-Y187 HydrophobicContact CG-CE2 3.9Å; Y187-R189 HydrophobicContact CE1-CB 4.2Å; Y187-R189 HydrophobicContact CE2-CB 4.4Å; Y187-R189 WeakPolarHBondContact OH-CD 3.3Å; Y187-F339 AromaticContact CD2-CD1 3.84Å; Y187-F339 HydrophobicContact CD2-CD1 3.84Å; Y187-F339 AromaticContact CE2-CD1 3.91Å; Y187-F339 HydrophobicContact CE2-CD1 3.91Å; Y187-F339 HydrophobicContact CE2-CE1 4.17Å |
| 188 | F | 86.4 | Confident | 92.7 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139.9 | 176.2 | 169.8 | -101.6 | 0 | 0 | 0 | 110.8 | Y105 L106 L107 Y242 L247 T347 I378 F388 | Y105-F188 HydrophobicContact CD2-CE2 4.14Å; Y105-F188 HydrophobicContact CG-CE2 4.31Å; L106-F188 WeakPolarHBondContact O-CA 3.4Å; L107-F188 HydrophobicContact CD1-CB 4.27Å; L107-F188 HydrophobicContact CD1-CD2 4.36Å; F188-Y242 AromaticContact CE1-CE1 3.9Å; F188-Y242 HydrophobicContact CE1-CE1 3.9Å; F188-Y242 HydrophobicContact CE1-CE2 4.45Å; F188-Y242 AromaticContact CE1-CZ 3.76Å; F188-Y242 HydrophobicContact CZ-CD1 4.25Å; F188-Y242 AromaticContact CZ-CE1 3.89Å; F188-Y242 HydrophobicContact CZ-CE1 3.89Å; F188-Y242 HydrophobicContact CZ-CE2 4.29Å; F188-Y242 AromaticContact CZ-CZ 3.91Å; F188-L247 HydrophobicContact CD2-CD1 4.34Å; F188-L247 HydrophobicContact CE2-CD1 3.3Å; F188-L247 HydrophobicContact CZ-CD1 3.73Å; F188-T347 HydrophobicContact CD1-CG2 4.19Å; F188-T347 HydrophobicContact CE1-CG2 4.05Å; F188-T347 WeakPolarHBondContact CE1-OG1 3.48Å; F188-I378 HydrophobicContact CD1-CD1 3.65Å; F188-I378 HydrophobicContact CE1-CD1 3.67Å; F188-I378 HydrophobicContact CG-CD1 4.48Å; F188-I378 HydrophobicContact CZ-CG2 4.41Å; F188-F388 HydrophobicContact CB-CD2 4.45Å; F188-F388 HydrophobicContact CB-CE1 4.3Å; F188-F388 HydrophobicContact CB-CE2 3.53Å; F188-F388 HydrophobicContact CB-CZ 3.43Å; F188-F388 VanDerWaalsContact CB-CZ 3.43Å; F188-F388 HydrophobicContact CD2-CE2 4.27Å; F188-F388 AromaticContact CG-CE2 3.9Å; F188-F388 HydrophobicContact CG-CE2 3.9Å; F188-F388 HydrophobicContact CG-CZ 4.3Å |
| 189 | R | 85.9 | Confident | 92.7 | Very high | 75 Ų | 75 | 36 Ų | 36 | 28% | 0.283 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 139.1 | 176.3 | -176.2 | -166.1 | 176.4 | 170.9 | -3.6 | 108.7 | L106 Y187 T347 E348 A349 | L106-R189 WeakPolarHBondContact CA-O 3.31Å; L106-R189 HydrophobicContact CB-CB 4.1Å; L106-R189 HydrophobicContact CD2-CB 4.22Å; L106-R189 HydrophobicContact CG-CB 4.47Å; L106-R189 PolarHBondContact N-O 2.84Å; L106-R189 PolarHBondContact O-N 3.06Å; L106-R189 VanDerWaalsContact O-O 3.11Å; Y187-R189 HydrophobicContact CE1-CB 4.2Å; Y187-R189 HydrophobicContact CE2-CB 4.4Å; Y187-R189 WeakPolarHBondContact OH-CD 3.3Å; R189-T347 WeakPolarHBondContact CA-OG1 3.2Å; R189-T347 WeakPolarHBondContact CG-O 3.28Å; R189-E348 HydrophobicContact CG-CB 4.5Å; R189-E348 PolarHBondContact NE-O 3.04Å; R189-E348 PolarHBondContact NH2-O 2.9Å; R189-A349 PolarHBondContact NH2-O 2.8Å |
| 190 | G | 89.7 | Confident | 92.7 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.9 | 140 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111 | Y242 G346 T347 | G190-Y242 WeakPolarHBondContact O-CD1 3.23Å; G190-Y242 VanDerWaalsContact O-CE1 3.28Å; G190-Y242 WeakPolarHBondContact O-CE1 3.44Å; G190-G346 CarbonylContact O-C 3.53Å; G190-G346 WeakPolarHBondContact O-CA 3.4Å; G190-T347 PolarHBondContact N-O 3.37Å; G190-T347 PolarHBondContact N-OG1 3.46Å; G190-T347 PolarHBondContact O-N 3.11Å; G190-T347 PolarHBondContact O-OG1 3.44Å |
| 191 | N | 92.6 | Very high | 92.8 | Very high | 39 Ų | 39 | 37.3 Ų | 37.3 | 21% | 0.209 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 146.5 | -176.4 | -66.9 | -19.7 | 0 | 0 | 0 | 111.5 | Y242 V243 E345 E348 | N191-Y242 CarbonylContact O-C 3.45Å; N191-Y242 WeakPolarHBondContact O-CA 3.45Å; N191-Y242 WeakPolarHBondContact O-CB 3.34Å; N191-Y242 VanDerWaalsContact O-CD1 3.29Å; N191-Y242 WeakPolarHBondContact O-CD1 3.31Å; N191-V243 HydrophobicContact CB-CG2 3.8Å; N191-V243 PolarHBondContact O-N 2.86Å; N191-E345 CarbonylContact C-O 3.6Å; N191-E345 WeakPolarHBondContact CA-O 3.47Å; N191-E345 WeakPolarHBondContact CB-O 3.4Å; N191-E348 PolarHBondContact OD1-O 2.95Å |
| 192 | W | 95.1 | Very high | 92.8 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 2% | 0.019 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -59 | 142.8 | 168.5 | -61.7 | 129.9 | 0 | 0 | 0 | 110 | E194 F196 L240 Y242 V243 M249 L290 V342 N343 E344 E345 G346 | W192-E194 WeakPolarHBondContact CB-O 3.5Å; W192-E194 PolarHBondContact O-N 3.45Å; W192-F196 AromaticContact CD1-CD2 3.71Å; W192-F196 AromaticContact CD1-CE2 3.92Å; W192-F196 AromaticContact NE1-CD2 3.72Å; W192-F196 AromaticContact NE1-CE2 3.66Å; W192-L240 HydrophobicContact CE3-CB 4.14Å; W192-L240 HydrophobicContact CH2-CB 4.46Å; W192-L240 HydrophobicContact CH2-CD1 4.42Å; W192-L240 HydrophobicContact CZ3-CB 3.86Å; W192-Y242 HydrophobicContact CE3-CD1 4.07Å; W192-Y242 AromaticContact CE3-CE1 3.89Å; W192-Y242 HydrophobicContact CE3-CE1 3.89Å; W192-Y242 HydrophobicContact CE3-CE2 4.45Å; W192-Y242 HydrophobicContact CE3-CG 4.42Å; W192-Y242 HydrophobicContact CH2-CE1 4.13Å; W192-Y242 HydrophobicContact CH2-CE2 4.42Å; W192-Y242 AromaticContact CH2-CZ 3.78Å; W192-Y242 HydrophobicContact CZ3-CD1 4.18Å; W192-Y242 HydrophobicContact CZ3-CD2 4.23Å; W192-Y242 AromaticContact CZ3-CE1 3.64Å; W192-Y242 HydrophobicContact CZ3-CE1 3.64Å; W192-Y242 AromaticContact CZ3-CE2 3.72Å; W192-Y242 HydrophobicContact CZ3-CE2 3.72Å; W192-Y242 HydrophobicContact CZ3-CG 4.46Å; W192-Y242 AromaticContact CZ3-CZ 3.38Å; W192-V243 VanDerWaalsContact O-CG2 3.26Å; W192-V243 WeakPolarHBondContact O-CG2 3.31Å; W192-M249 HydrophobicContact CH2-CB 3.83Å; W192-M249 HydrophobicContact CH2-CE 3.9Å; W192-M249 HydrophobicContact CH2-CG 4.34Å; W192-M249 HydrophobicContact CH2-SD 3.64Å; W192-M249 HydrophobicContact CZ2-SD 4.45Å; W192-M249 HydrophobicContact CZ3-CB 3.76Å; W192-L290 HydrophobicContact CZ2-CD2 4.49Å; W192-V342 HydrophobicContact CZ2-CG1 3.95Å; W192-N343 PolarHBondContact NE1-O 3.07Å; W192-E344 VanDerWaalsContact CD1-O 3.29Å; W192-E345 PolarHBondContact N-O 3.34Å; W192-G346 VanDerWaalsContact NE1-CA 3.26Å |
| 193 | D | 94.4 | Very high | 92.9 | Very high | 58 Ų | 58 | 48.8 Ų | 48.8 | 31% | 0.31 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -58.5 | -38.5 | 171.7 | -164.5 | 54.1 | 0 | 0 | 0 | 110.3 | P241 K245 | D193-P241 HydrophobicContact CB-CB 4.07Å; D193-P241 HydrophobicContact CB-CG 3.92Å; D193-P241 WeakPolarHBondContact CB-O 3.35Å; D193-P241 PolarHBondContact N-O 2.99Å; D193-K245 WeakPolarHBondContact OD2-CE 3.47Å; D193-K245 IonicContact OD2-NZ 2.73Å |
| 194 | E | 91.6 | Very high | 93.1 | Very high | 89 Ų | 89 | 53 Ų | 53 | 42% | 0.416 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -128.8 | 111.6 | 169.4 | -64.6 | 179.2 | -166.6 | 0 | 0 | 110.2 | W192 K221 S223 | W192-E194 WeakPolarHBondContact CB-O 3.5Å; W192-E194 PolarHBondContact O-N 3.45Å; E194-K221 PolarHBondContact O-NZ 2.96Å; E194-K221 IonicContact OE2-NZ 3.81Å; E194-K221 PolarHBondContact OE2-NZ 3.48Å; E194-K221 VanDerWaalsContact OE2-NZ 3.09Å; E194-S223 VanDerWaalsContact OE2-CB 3.31Å; E194-S223 WeakPolarHBondContact OE2-CB 3.45Å; E194-S223 PolarHBondContact OE2-OG 2.88Å |
| 195 | Q | 94.3 | Very high | 93.3 | Very high | 57 Ų | 57 | 57.7 Ų | 57.7 | 27% | 0.266 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 159.7 | -178.3 | -62.3 | -179 | 6.3 | 0 | 0 | 112.7 | E344 A351 | Q195-E344 WeakPolarHBondContact CA-O 3.29Å; Q195-E344 WeakPolarHBondContact CB-O 3.31Å; Q195-A351 PolarHBondContact OE1-O 3.18Å |
| 196 | F | 95.2 | Very high | 93.7 | Very high | 9 Ų | 9 | 57.7 Ų | 57.7 | 4% | 0.039 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 152.2 | 164.8 | -65.1 | -105.6 | 0 | 0 | 0 | 109 | W192 M219 K221 L240 V288 L290 E344 | W192-F196 AromaticContact CD1-CD2 3.71Å; W192-F196 AromaticContact CD1-CE2 3.92Å; W192-F196 AromaticContact NE1-CD2 3.72Å; W192-F196 AromaticContact NE1-CE2 3.66Å; F196-M219 HydrophobicContact CB-CB 4.26Å; F196-M219 HydrophobicContact CD1-CB 3.63Å; F196-M219 HydrophobicContact CD2-CE 4.33Å; F196-M219 HydrophobicContact CD2-SD 4.44Å; F196-M219 HydrophobicContact CE1-CB 4.1Å; F196-M219 HydrophobicContact CE2-CE 4.26Å; F196-M219 HydrophobicContact CG-CB 3.97Å; F196-M219 HydrophobicContact CG-SD 4.44Å; F196-M219 HydrophobicContact CZ-CE 4.49Å; F196-K221 HydrophobicContact CD1-CB 3.91Å; F196-K221 HydrophobicContact CD1-CD 3.8Å; F196-K221 HydrophobicContact CD1-CG 3.62Å; F196-K221 HydrophobicContact CD2-CD 4.21Å; F196-K221 HydrophobicContact CE1-CB 4.28Å; F196-K221 HydrophobicContact CE1-CD 3.78Å; F196-K221 HydrophobicContact CE1-CG 3.53Å; F196-K221 HydrophobicContact CE2-CD 4.17Å; F196-K221 HydrophobicContact CG-CD 4.02Å; F196-K221 HydrophobicContact CG-CG 4.32Å; F196-K221 HydrophobicContact CZ-CD 3.96Å; F196-K221 HydrophobicContact CZ-CG 4.15Å; F196-L240 HydrophobicContact CZ-CD1 4.38Å; F196-V288 HydrophobicContact CE1-CG1 4.26Å; F196-V288 HydrophobicContact CZ-CG1 4.23Å; F196-L290 HydrophobicContact CZ-CB 4.3Å; F196-L290 HydrophobicContact CZ-CD2 4.28Å; F196-E344 HydrophobicContact CB-CB 3.87Å; F196-E344 HydrophobicContact CB-CG 3.78Å; F196-E344 PolarHBondContact N-O 3.24Å; F196-E344 WeakPolarHBondContact O-CB 3.41Å |
| 197 | D | 93.1 | Very high | 94 | Very high | 66 Ų | 66 | 60.4 Ų | 60.4 | 35% | 0.353 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 127.8 | 171.3 | -161.6 | -28.7 | 0 | 0 | 0 | 109.4 | E199 N200 | D197-E199 PolarHBondContact O-N 3.38Å; D197-E199 PolarHBondContact OD1-N 3.46Å; D197-N200 HydrophobicContact CB-CB 4.3Å; D197-N200 WeakPolarHBondContact CB-ND2 3.33Å; D197-N200 PolarHBondContact O-N 3.11Å; D197-N200 VanDerWaalsContact O-N 3.08Å |
| 198 | K | 94.9 | Very high | 94.3 | Very high | 108 Ų | 108 | 61.2 Ų | 61.2 | 47% | 0.47 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -62.8 | -28.7 | 177.6 | -68.8 | -179.7 | -176.3 | 178.1 | 0 | 111.4 | N200 T201 E344 E345 | K198-N200 PolarHBondContact O-N 3.23Å; K198-T201 PolarHBondContact O-N 3.31Å; K198-E344 HydrophobicContact CB-CG 4.44Å; K198-E344 HydrophobicContact CG-CB 3.9Å; K198-E344 HydrophobicContact CG-CG 3.7Å; K198-E345 WeakPolarHBondContact CE-OE1 3.37Å; K198-E345 IonicContact NZ-OE1 3.35Å; K198-E345 PolarHBondContact NZ-OE1 3.36Å |
| 199 | E | 95.1 | Very high | 94.4 | Very high | 173 Ų | 173 | 64 Ų | 64 | 81% | 0.808 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -69.7 | -22.5 | 177.3 | -61.9 | -173.3 | 177.8 | 0 | 0 | 112.7 | D197 T201 | D197-E199 PolarHBondContact O-N 3.38Å; D197-E199 PolarHBondContact OD1-N 3.46Å; E199-T201 VanDerWaalsContact C-N 3.32Å |
| 200 | N | 95.6 | Very high | 94.4 | Very high | 73 Ų | 73 | 70.6 Ų | 70.6 | 39% | 0.39 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -90.6 | 5 | 177.6 | -66.7 | -27.9 | 0 | 0 | 0 | 113 | D197 K198 F220 | D197-N200 HydrophobicContact CB-CB 4.3Å; D197-N200 WeakPolarHBondContact CB-ND2 3.33Å; D197-N200 PolarHBondContact O-N 3.11Å; D197-N200 VanDerWaalsContact O-N 3.08Å; K198-N200 PolarHBondContact O-N 3.23Å; N200-F220 HydrophobicContact CB-CB 4.32Å; N200-F220 HydrophobicContact CB-CD1 4.37Å; N200-F220 WeakPolarHBondContact O-CB 3.34Å |
| 201 | T | 97.9 | Very high | 94.3 | Very high | 18 Ų | 18 | 78.1 Ų | 78.1 | 11% | 0.11 | 38% | 0.38 | C | S | . | . | trans | -90 | 123.5 | 179.4 | -61.3 | 0 | 0 | 0 | 0 | 110.2 | K198 E199 Q217 M218 M219 E344 | K198-T201 PolarHBondContact O-N 3.31Å; E199-T201 VanDerWaalsContact C-N 3.32Å; T201-Q217 HydrophobicContact CG2-CB 4.04Å; T201-M218 WeakPolarHBondContact CA-O 3.28Å; T201-M219 HydrophobicContact CG2-CG 4.34Å; T201-E344 WeakPolarHBondContact CB-OE1 3.11Å; T201-E344 WeakPolarHBondContact CG2-OE1 3.36Å; T201-E344 PolarHBondContact OG1-OE1 2.94Å | ||
| 202 | E | 97.8 | Very high | 94.4 | Very high | 104 Ų | 104 | 80.2 Ų | 80.2 | 49% | 0.486 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 153.2 | -173.6 | -63.2 | 178.1 | 152.9 | 0 | 0 | 110.7 | R204 M218 | E202-R204 PolarHBondContact O-N 3.36Å; E202-R204 IonicContact OE2-CZ 3.74Å; E202-R204 IonicContact OE2-NE 3.79Å; E202-R204 IonicContact OE2-NH2 3.39Å; E202-R204 PolarHBondContact OE2-NH2 3.07Å; E202-M218 PolarHBondContact N-O 3.16Å; E202-M218 VanDerWaalsContact N-O 3.09Å; E202-M218 PolarHBondContact O-N 3.45Å |
| 203 | E | 98.4 | Very high | 94.4 | Very high | 137 Ų | 137 | 85.1 Ų | 85.1 | 64% | 0.64 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 123.7 | 168.6 | -170.9 | 173.9 | 96 | 0 | 0 | 110 | P215 V216 | E203-P215 HydrophobicContact CG-CB 3.76Å; E203-V216 CarbonylContact C-O 3.58Å; E203-V216 VanDerWaalsContact CA-O 3.32Å; E203-V216 WeakPolarHBondContact CA-O 3.34Å |
| 204 | R | 97.8 | Very high | 94.5 | Very high | 90 Ų | 90 | 85.3 Ų | 85.3 | 34% | 0.34 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 163.2 | 174.2 | -62.5 | -165.3 | -179.4 | 173.7 | 2 | 110.9 | E202 P215 V216 M218 | E202-R204 PolarHBondContact O-N 3.36Å; E202-R204 IonicContact OE2-CZ 3.74Å; E202-R204 IonicContact OE2-NE 3.79Å; E202-R204 IonicContact OE2-NH2 3.39Å; E202-R204 PolarHBondContact OE2-NH2 3.07Å; R204-P215 CarbonylContact O-C 3.59Å; R204-P215 WeakPolarHBondContact O-CA 3.24Å; R204-V216 PolarHBondContact N-O 3.13Å; R204-V216 WeakPolarHBondContact O-CG2 3.39Å; R204-V216 PolarHBondContact O-N 3.3Å; R204-M218 HydrophobicContact CB-CB 3.86Å; R204-M218 HydrophobicContact CB-CG 4.45Å; R204-M218 HydrophobicContact CG-CB 3.87Å; R204-M218 HydrophobicContact CG-CG 4.42Å |
| 205 | L | 97.6 | Very high | 94.8 | Very high | 100 Ų | 100 | 84.8 Ų | 84.8 | 52% | 0.524 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 134.4 | 178.4 | -61.8 | 173.7 | 0 | 0 | 0 | 110.4 | E213 | L205-E213 HydrophobicContact CB-CB 4.49Å; L205-E213 WeakPolarHBondContact CD1-OE2 3.37Å |
| 206 | F | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 121.8 | 171.3 | -173.4 | -82.9 | 0 | 0 | 0 | 109.4 | V208 E213 K214 V216 P291 D371 H372 P373 F374 F392 P395 | F206-V208 HydrophobicContact CD1-CG2 3.96Å; F206-V208 HydrophobicContact CE1-CG2 4.45Å; F206-V208 PolarHBondContact O-N 2.79Å; F206-V208 VanDerWaalsContact O-N 3.1Å; F206-E213 CarbonylContact O-C 3.57Å; F206-E213 VanDerWaalsContact O-CA 3.23Å; F206-E213 WeakPolarHBondContact O-CA 3.45Å; F206-K214 PolarHBondContact N-O 3.28Å; F206-K214 PolarHBondContact O-N 3.44Å; F206-V216 HydrophobicContact CB-CG1 3.67Å; F206-V216 HydrophobicContact CB-CG2 3.98Å; F206-V216 HydrophobicContact CG-CG1 4.36Å; F206-P291 HydrophobicContact CD2-CG 4.45Å; F206-P291 HydrophobicContact CE2-CG 4.34Å; F206-D371 CarbonylContact C-O 3.57Å; F206-D371 VanDerWaalsContact CA-O 3.27Å; F206-D371 WeakPolarHBondContact CA-O 3.35Å; F206-D371 VanDerWaalsContact CD2-C 3.44Å; F206-H372 WeakPolarHBondContact CZ-O 3.29Å; F206-P373 HydrophobicContact CE1-CG 4.38Å; F206-F374 HydrophobicContact CE2-CD1 4.47Å; F206-F374 HydrophobicContact CE2-CE1 4.17Å; F206-F392 HydrophobicContact CD2-CE1 4.13Å; F206-F392 HydrophobicContact CE1-CE1 4.39Å; F206-F392 AromaticContact CE2-CD1 3.73Å; F206-F392 HydrophobicContact CE2-CD1 3.73Å; F206-F392 AromaticContact CE2-CE1 3.62Å; F206-F392 HydrophobicContact CE2-CE1 3.62Å; F206-F392 AromaticContact CZ-CD1 3.63Å; F206-F392 HydrophobicContact CZ-CD1 3.63Å; F206-F392 AromaticContact CZ-CE1 3.75Å; F206-F392 HydrophobicContact CZ-CE1 3.75Å; F206-P395 HydrophobicContact CB-CG 3.83Å; F206-P395 HydrophobicContact CD1-CG 3.61Å; F206-P395 HydrophobicContact CD2-CG 4.35Å; F206-P395 HydrophobicContact CE1-CG 4.24Å; F206-P395 HydrophobicContact CG-CG 3.67Å |
| 207 | K | 95.8 | Very high | 95.2 | Very high | 57 Ų | 57 | 85.8 Ų | 85.8 | 25% | 0.248 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 84.5 | -176.6 | -55.8 | 167.4 | -176 | 169.8 | 0 | 110.4 | S209 E213 E256 D371 H372 P373 | K207-S209 VanDerWaalsContact C-N 3.28Å; K207-S209 PolarHBondContact O-N 3.38Å; K207-E213 HydrophobicContact CG-CG 4.23Å; K207-E256 IonicContact NZ-OE1 2.69Å; K207-E256 PolarHBondContact NZ-OE1 3.13Å; K207-E256 IonicContact NZ-OE2 3.09Å; K207-E256 PolarHBondContact NZ-OE2 3.5Å; K207-D371 PolarHBondContact N-O 3.3Å; K207-D371 IonicContact NZ-OD2 3.21Å; K207-H372 HydrophobicContact CB-CB 4.04Å; K207-P373 WeakPolarHBondContact O-CD 3.42Å |
| 208 | V | 93.1 | Very high | 95.4 | Very high | 23 Ų | 23 | 82.8 Ų | 82.8 | 14% | 0.139 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | -40.5 | 177.5 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | F206 E212 K214 | F206-V208 HydrophobicContact CD1-CG2 3.96Å; F206-V208 HydrophobicContact CE1-CG2 4.45Å; F206-V208 PolarHBondContact O-N 2.79Å; F206-V208 VanDerWaalsContact O-N 3.1Å; V208-E212 HydrophobicContact CB-CB 4.28Å; V208-E212 HydrophobicContact CB-CG 4.14Å; V208-E212 HydrophobicContact CG1-CG 4.49Å; V208-E212 PolarHBondContact N-O 2.83Å; V208-K214 HydrophobicContact CG2-CB 4.35Å; V208-K214 HydrophobicContact CG2-CD 3.99Å; V208-K214 HydrophobicContact CG2-CG 3.97Å |
| 209 | S | 88.9 | Confident | 95.6 | Very high | 60 Ų | 60 | 77.6 Ų | 77.6 | 42% | 0.42 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 178.5 | 174.9 | 77.3 | 0 | 0 | 0 | 0 | 110.9 | K207 N211 E212 | K207-S209 VanDerWaalsContact C-N 3.28Å; K207-S209 PolarHBondContact O-N 3.38Å; S209-N211 PolarHBondContact O-N 2.79Å; S209-N211 PolarHBondContact OG-N 2.88Å; S209-E212 PolarHBondContact N-O 2.84Å; S209-E212 VanDerWaalsContact N-O 3.07Å; S209-E212 PolarHBondContact O-N 3.49Å; S209-E212 WeakPolarHBondContact OG-CB 3.37Å; S209-E212 PolarHBondContact OG-N 3.43Å |
| 210 | K | 85 | Confident | 95.7 | Very high | 212 Ų | 212 | 71.7 Ų | 71.7 | 92% | 0.922 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -23.8 | 176 | -68.4 | -172.7 | 177.6 | -177 | 0 | 114.3 | ||
| 211 | N | 89.3 | Confident | 95.6 | Very high | 163 Ų | 163 | 69 Ų | 69 | 87% | 0.872 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | 2.5 | -174.4 | -58.4 | -30.6 | 0 | 0 | 0 | 113 | S209 | S209-N211 PolarHBondContact O-N 2.79Å; S209-N211 PolarHBondContact OG-N 2.88Å |
| 212 | E | 93.7 | Very high | 95.4 | Very high | 83 Ų | 83 | 71 Ų | 71 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 122.3 | -174.2 | -173.5 | -179.8 | -178.1 | 0 | 0 | 110.1 | V208 S209 K214 | V208-E212 HydrophobicContact CB-CB 4.28Å; V208-E212 HydrophobicContact CB-CG 4.14Å; V208-E212 HydrophobicContact CG1-CG 4.49Å; V208-E212 PolarHBondContact N-O 2.83Å; S209-E212 PolarHBondContact N-O 2.84Å; S209-E212 VanDerWaalsContact N-O 3.07Å; S209-E212 PolarHBondContact O-N 3.49Å; S209-E212 WeakPolarHBondContact OG-CB 3.37Å; S209-E212 PolarHBondContact OG-N 3.43Å; E212-K214 WeakPolarHBondContact OE1-CE 3.31Å; E212-K214 IonicContact OE1-NZ 2.79Å; E212-K214 PolarHBondContact OE1-NZ 2.83Å |
| 213 | E | 95.8 | Very high | 95.2 | Very high | 108 Ų | 108 | 67 Ų | 67 | 51% | 0.505 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 142.6 | 173.3 | -62.2 | -178.1 | 168.4 | 0 | 0 | 108.8 | L205 F206 K207 | L205-E213 HydrophobicContact CB-CB 4.49Å; L205-E213 WeakPolarHBondContact CD1-OE2 3.37Å; F206-E213 CarbonylContact O-C 3.57Å; F206-E213 VanDerWaalsContact O-CA 3.23Å; F206-E213 WeakPolarHBondContact O-CA 3.45Å; K207-E213 HydrophobicContact CG-CG 4.23Å |
| 214 | K | 96.6 | Very high | 95 | Very high | 62 Ų | 62 | 63.9 Ų | 63.9 | 27% | 0.27 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 141.1 | 177.6 | -67.3 | -174.9 | -172.5 | 170.3 | 0 | 110.8 | F206 V208 E212 S394 P395 | F206-K214 PolarHBondContact N-O 3.28Å; F206-K214 PolarHBondContact O-N 3.44Å; V208-K214 HydrophobicContact CG2-CB 4.35Å; V208-K214 HydrophobicContact CG2-CD 3.99Å; V208-K214 HydrophobicContact CG2-CG 3.97Å; E212-K214 WeakPolarHBondContact OE1-CE 3.31Å; E212-K214 IonicContact OE1-NZ 2.79Å; E212-K214 PolarHBondContact OE1-NZ 2.83Å; K214-S394 PolarHBondContact NZ-OG 2.68Å; K214-P395 HydrophobicContact CB-CG 4.5Å |
| 215 | P | 97.7 | Very high | 94.9 | Very high | 77 Ų | 77 | 60.1 Ų | 60.1 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 138 | 172.5 | 28.9 | -33.4 | 0 | 0 | 0 | 110.5 | E203 R204 | E203-P215 HydrophobicContact CG-CB 3.76Å; R204-P215 CarbonylContact O-C 3.59Å; R204-P215 WeakPolarHBondContact O-CA 3.24Å |
| 216 | V | 98.1 | Very high | 94.9 | Very high | 9 Ų | 9 | 58.1 Ų | 58.1 | 6% | 0.055 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 152.3 | 174.7 | -60.8 | 0 | 0 | 0 | 0 | 110.4 | E203 R204 F206 M218 P291 P395 | E203-V216 CarbonylContact C-O 3.58Å; E203-V216 VanDerWaalsContact CA-O 3.32Å; E203-V216 WeakPolarHBondContact CA-O 3.34Å; R204-V216 PolarHBondContact N-O 3.13Å; R204-V216 WeakPolarHBondContact O-CG2 3.39Å; R204-V216 PolarHBondContact O-N 3.3Å; F206-V216 HydrophobicContact CB-CG1 3.67Å; F206-V216 HydrophobicContact CB-CG2 3.98Å; F206-V216 HydrophobicContact CG-CG1 4.36Å; V216-M218 HydrophobicContact CG2-CE 3.87Å; V216-M218 PolarHBondContact O-N 3.46Å; V216-P291 HydrophobicContact CB-CB 4.35Å; V216-P291 HydrophobicContact CG2-CB 4.16Å; V216-P395 HydrophobicContact CG1-CB 3.27Å; V216-P395 HydrophobicContact CG1-CG 3.21Å |
| 217 | Q | 98.3 | Very high | 94.9 | Very high | 79 Ų | 79 | 59.7 Ų | 59.7 | 37% | 0.369 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 103.2 | 166.9 | -65.1 | -61.9 | -55.4 | 0 | 0 | 108.3 | T201 R292 | T201-Q217 HydrophobicContact CG2-CB 4.04Å; Q217-R292 HydrophobicContact CB-CB 4.27Å; Q217-R292 HydrophobicContact CB-CG 4.21Å; Q217-R292 PolarHBondContact O-N 3.14Å |
| 218 | M | 98.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 112.3 | -177.4 | -171.4 | 69.2 | 71.3 | 0 | 0 | 109.6 | T201 E202 R204 V216 L290 P291 D371 | T201-M218 WeakPolarHBondContact CA-O 3.28Å; E202-M218 PolarHBondContact N-O 3.16Å; E202-M218 VanDerWaalsContact N-O 3.09Å; E202-M218 PolarHBondContact O-N 3.45Å; R204-M218 HydrophobicContact CB-CB 3.86Å; R204-M218 HydrophobicContact CB-CG 4.45Å; R204-M218 HydrophobicContact CG-CB 3.87Å; R204-M218 HydrophobicContact CG-CG 4.42Å; V216-M218 HydrophobicContact CG2-CE 3.87Å; V216-M218 PolarHBondContact O-N 3.46Å; M218-L290 PolarHBondContact SD-N 3.38Å; M218-L290 VanDerWaalsContact SD-N 3.41Å; M218-P291 HydrophobicContact SD-CB 4.48Å; M218-P291 VanDerWaalsContact SD-N 3.36Å; M218-D371 HydrophobicContact CE-CB 3.98Å |
| 219 | M | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 146.2 | 174.1 | -50.4 | -179.2 | -64.8 | 0 | 0 | 109.5 | F196 T201 S289 L290 R292 V342 E344 | F196-M219 HydrophobicContact CB-CB 4.26Å; F196-M219 HydrophobicContact CD1-CB 3.63Å; F196-M219 HydrophobicContact CD2-CE 4.33Å; F196-M219 HydrophobicContact CD2-SD 4.44Å; F196-M219 HydrophobicContact CE1-CB 4.1Å; F196-M219 HydrophobicContact CE2-CE 4.26Å; F196-M219 HydrophobicContact CG-CB 3.97Å; F196-M219 HydrophobicContact CG-SD 4.44Å; F196-M219 HydrophobicContact CZ-CE 4.49Å; T201-M219 HydrophobicContact CG2-CG 4.34Å; M219-S289 VanDerWaalsContact O-CA 3.26Å; M219-S289 WeakPolarHBondContact O-CA 3.39Å; M219-L290 WeakPolarHBondContact CB-O 3.48Å; M219-L290 HydrophobicContact CE-CB 4.08Å; M219-L290 HydrophobicContact CE-CD2 3.86Å; M219-L290 HydrophobicContact CE-CG 3.9Å; M219-L290 WeakPolarHBondContact CG-O 3.5Å; M219-L290 PolarHBondContact N-O 3.42Å; M219-L290 PolarHBondContact O-N 3.04Å; M219-R292 HydrophobicContact CG-CG 3.73Å; M219-R292 HydrophobicContact SD-CG 3.85Å; M219-V342 HydrophobicContact CE-CG1 4.02Å; M219-E344 HydrophobicContact CG-CG 4.22Å; M219-E344 HydrophobicContact SD-CB 4.4Å; M219-E344 HydrophobicContact SD-CG 3.95Å; M219-E344 PolarHBondContact SD-N 3.03Å |
| 220 | F | 97.6 | Very high | 95.5 | Very high | 48 Ų | 48 | 60.5 Ų | 60.5 | 21% | 0.211 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 139.2 | 179.4 | 177.3 | -95.5 | 0 | 0 | 0 | 112.2 | N200 E287 V288 | N200-F220 HydrophobicContact CB-CB 4.32Å; N200-F220 HydrophobicContact CB-CD1 4.37Å; N200-F220 WeakPolarHBondContact O-CB 3.34Å; F220-E287 HydrophobicContact CE2-CB 3.96Å; F220-E287 HydrophobicContact CE2-CG 4.22Å; F220-E287 HydrophobicContact CZ-CB 4.24Å; F220-E287 HydrophobicContact CZ-CG 4.01Å; F220-V288 WeakPolarHBondContact CA-O 3.48Å |
| 221 | K | 94.4 | Very high | 96 | Very high | 16 Ų | 16 | 52.5 Ų | 52.5 | 7% | 0.07 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 155.8 | 165.5 | 66.8 | -180 | -79 | 172 | 0 | 111.2 | E194 F196 F225 V288 | E194-K221 PolarHBondContact O-NZ 2.96Å; E194-K221 IonicContact OE2-NZ 3.81Å; E194-K221 PolarHBondContact OE2-NZ 3.48Å; E194-K221 VanDerWaalsContact OE2-NZ 3.09Å; F196-K221 HydrophobicContact CD1-CB 3.91Å; F196-K221 HydrophobicContact CD1-CD 3.8Å; F196-K221 HydrophobicContact CD1-CG 3.62Å; F196-K221 HydrophobicContact CD2-CD 4.21Å; F196-K221 HydrophobicContact CE1-CB 4.28Å; F196-K221 HydrophobicContact CE1-CD 3.78Å; F196-K221 HydrophobicContact CE1-CG 3.53Å; F196-K221 HydrophobicContact CE2-CD 4.17Å; F196-K221 HydrophobicContact CG-CD 4.02Å; F196-K221 HydrophobicContact CG-CG 4.32Å; F196-K221 HydrophobicContact CZ-CD 3.96Å; F196-K221 HydrophobicContact CZ-CG 4.15Å; K221-F225 HydrophobicContact CD-CE2 4.05Å; K221-F225 HydrophobicContact CD-CZ 3.88Å; K221-F225 HydrophobicContact CG-CE2 4.32Å; K221-V288 HydrophobicContact CG-CB 4.36Å; K221-V288 PolarHBondContact N-O 3.22Å; K221-V288 PolarHBondContact O-N 3.06Å |
| 222 | Q | 93.8 | Very high | 96.2 | Very high | 60 Ų | 60 | 50.1 Ų | 50.1 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 118.5 | 167.3 | -178.8 | 179.4 | -25.9 | 0 | 0 | 108 | E285 V286 E287 V365 | Q222-E285 HydrophobicContact CG-CG 3.95Å; Q222-E285 VanDerWaalsContact NE2-CD 3.27Å; Q222-E285 PolarHBondContact NE2-OE1 3.21Å; Q222-V286 WeakPolarHBondContact CA-O 3.48Å; Q222-E287 HydrophobicContact CB-CG 4.39Å; Q222-E287 HydrophobicContact CG-CG 4.27Å; Q222-V365 HydrophobicContact CG-CG1 4.35Å |
| 223 | S | 93.3 | Very high | 96.3 | Very high | 21 Ų | 21 | 46.2 Ų | 46.2 | 15% | 0.147 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 177.3 | 176.6 | -164.1 | 0 | 0 | 0 | 0 | 111.1 | E194 E285 V286 | E194-S223 VanDerWaalsContact OE2-CB 3.31Å; E194-S223 WeakPolarHBondContact OE2-CB 3.45Å; E194-S223 PolarHBondContact OE2-OG 2.88Å; S223-E285 CarbonylContact O-C 3.59Å; S223-E285 WeakPolarHBondContact O-CA 3.36Å; S223-V286 PolarHBondContact N-O 3.41Å; S223-V286 VanDerWaalsContact N-O 3.15Å; S223-V286 PolarHBondContact O-N 2.85Å |
| 224 | T | 94.3 | Very high | 96.4 | Very high | 72 Ų | 72 | 46.5 Ų | 46.5 | 44% | 0.442 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 122.2 | 176.8 | -59.6 | 0 | 0 | 0 | 0 | 110.6 | E283 E284 | T224-E283 HydrophobicContact CG2-CG 3.55Å; T224-E284 CarbonylContact C-O 3.54Å; T224-E284 VanDerWaalsContact CA-O 3.28Å; T224-E284 WeakPolarHBondContact CA-O 3.44Å |
| 225 | F | 95.7 | Very high | 96.4 | Very high | 10 Ų | 10 | 43.5 Ų | 43.5 | 4% | 0.044 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 159.2 | 178.5 | -68.3 | -67.5 | 0 | 0 | 0 | 111.5 | K221 L238 L240 E284 V288 | K221-F225 HydrophobicContact CD-CE2 4.05Å; K221-F225 HydrophobicContact CD-CZ 3.88Å; K221-F225 HydrophobicContact CG-CE2 4.32Å; F225-L238 HydrophobicContact CB-CD1 3.69Å; F225-L238 HydrophobicContact CG-CD1 4.3Å; F225-L240 HydrophobicContact CD1-CD2 3.79Å; F225-L240 HydrophobicContact CD2-CD2 4.29Å; F225-L240 HydrophobicContact CE1-CD2 3.51Å; F225-L240 HydrophobicContact CE2-CD2 4.01Å; F225-L240 HydrophobicContact CG-CD2 4.16Å; F225-L240 HydrophobicContact CZ-CD2 3.6Å; F225-E284 PolarHBondContact N-O 3.48Å; F225-E284 PolarHBondContact O-N 3.23Å; F225-E284 VanDerWaalsContact O-N 3.16Å; F225-V288 HydrophobicContact CD2-CG2 3.73Å; F225-V288 HydrophobicContact CE2-CG2 3.81Å |
| 226 | K | 97.1 | Very high | 96.5 | Very high | 58 Ų | 58 | 42.4 Ų | 42.4 | 25% | 0.252 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 127.3 | 169.2 | -66.9 | -169.4 | 174 | -156.3 | 0 | 109.9 | V239 L278 M281 D282 E283 | K226-V239 HydrophobicContact CB-CB 4.21Å; K226-V239 HydrophobicContact CB-CG2 4.38Å; K226-V239 PolarHBondContact O-N 2.88Å; K226-L278 HydrophobicContact CD-CB 4.09Å; K226-L278 HydrophobicContact CD-CD2 4.2Å; K226-L278 PolarHBondContact NZ-O 3.22Å; K226-M281 HydrophobicContact CB-CB 4.07Å; K226-M281 HydrophobicContact CB-SD 4.21Å; K226-D282 CarbonylContact C-O 3.6Å; K226-D282 VanDerWaalsContact CA-O 3.3Å; K226-D282 WeakPolarHBondContact CA-O 3.44Å; K226-E283 HydrophobicContact CG-CB 4.29Å; K226-E283 HydrophobicContact CG-CG 4.44Å |
| 227 | K | 96.5 | Very high | 96.5 | Very high | 33 Ų | 33 | 42 Ų | 42 | 14% | 0.143 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 161.5 | 176.2 | 84.1 | -170.1 | -136.9 | -147.1 | 0 | 111.9 | I237 L238 D282 E284 V286 | K227-I237 CarbonylContact C-O 3.54Å; K227-I237 WeakPolarHBondContact CA-O 3.34Å; K227-I237 WeakPolarHBondContact CB-O 3.48Å; K227-L238 HydrophobicContact CB-CD1 4.21Å; K227-D282 PolarHBondContact N-O 3.46Å; K227-D282 PolarHBondContact O-N 3.25Å; K227-E284 HydrophobicContact CD-CG 4.04Å; K227-E284 WeakPolarHBondContact CD-OE1 3.44Å; K227-E284 WeakPolarHBondContact CE-OE1 3.42Å; K227-E284 VanDerWaalsContact NZ-CD 3.26Å; K227-E284 IonicContact NZ-OE1 2.65Å; K227-E284 PolarHBondContact NZ-OE1 3.26Å; K227-E284 IonicContact NZ-OE2 3.74Å; K227-V286 HydrophobicContact CD-CG2 3.47Å; K227-V286 VanDerWaalsContact CD-CG2 3.47Å |
| 228 | T | 97.1 | Very high | 96.5 | Very high | 33 Ų | 33 | 38.2 Ų | 38.2 | 20% | 0.202 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 170.3 | 168.4 | -166.1 | 0 | 0 | 0 | 0 | 110.3 | I230 I237 M281 | T228-I230 HydrophobicContact CG2-CD1 3.89Å; T228-I237 HydrophobicContact CG2-CB 4.08Å; T228-I237 HydrophobicContact CG2-CD1 4.39Å; T228-I237 HydrophobicContact CG2-CG1 4.47Å; T228-I237 PolarHBondContact N-O 3.05Å; T228-I237 PolarHBondContact O-N 3.43Å; T228-M281 HydrophobicContact CG2-CE 3.61Å; T228-M281 HydrophobicContact CG2-CG 4.22Å |
| 229 | Y | 97.2 | Very high | 96.5 | Very high | 104 Ų | 104 | 38.4 Ų | 38.4 | 41% | 0.408 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 123.6 | 173.1 | -177.7 | -98.8 | 0 | 0 | 0 | 110.2 | F234 T235 Q236 D255 | Y229-F234 VanDerWaalsContact OH-CA 3.31Å; Y229-F234 WeakPolarHBondContact OH-CA 2.98Å; Y229-F234 WeakPolarHBondContact OH-CD1 3.27Å; Y229-T235 WeakPolarHBondContact CA-O 3.44Å; Y229-Q236 HydrophobicContact CD2-CG 3.74Å; Y229-Q236 HydrophobicContact CE2-CG 4.28Å; Y229-D255 PolarHBondContact OH-OD2 3.32Å |
| 230 | I | 97.2 | Very high | 96.4 | Very high | 20 Ų | 20 | 38.6 Ų | 38.6 | 10% | 0.103 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 100.1 | 179.1 | -51.5 | -54.8 | 0 | 0 | 0 | 108.7 | T228 E232 I233 F234 T235 I237 W275 | T228-I230 HydrophobicContact CG2-CD1 3.89Å; I230-E232 HydrophobicContact CG2-CB 4.21Å; I230-E232 PolarHBondContact O-N 2.85Å; I230-I233 HydrophobicContact CB-CD1 4.33Å; I230-I233 HydrophobicContact CB-CG1 3.86Å; I230-I233 HydrophobicContact CG2-CD1 4.27Å; I230-I233 HydrophobicContact CG2-CG1 3.63Å; I230-I233 PolarHBondContact O-N 2.73Å; I230-F234 WeakPolarHBondContact O-CA 3.27Å; I230-F234 PolarHBondContact O-N 3.28Å; I230-T235 PolarHBondContact N-O 3.48Å; I230-T235 PolarHBondContact O-N 2.79Å; I230-I237 HydrophobicContact CD1-CD1 4.27Å; I230-I237 HydrophobicContact CG1-CD1 3.62Å; I230-I237 HydrophobicContact CG1-CG1 4.25Å; I230-W275 HydrophobicContact CD1-CB 3.86Å; I230-W275 HydrophobicContact CD1-CG 3.78Å; I230-W275 HydrophobicContact CG1-CB 4.05Å; I230-W275 HydrophobicContact CG1-CD2 4.23Å; I230-W275 HydrophobicContact CG1-CG 3.87Å; I230-W275 HydrophobicContact CG2-CD2 4.05Å; I230-W275 HydrophobicContact CG2-CG 4.27Å; I230-W275 HydrophobicContact CG2-CZ2 4.02Å |
| 231 | G | 95.3 | Very high | 96.4 | Very high | 44 Ų | 44 | 37.3 Ų | 37.3 | 45% | 0.454 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -23 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I233 | G231-I233 VanDerWaalsContact C-N 3.29Å; G231-I233 PolarHBondContact O-N 3.5Å |
| 232 | E | 94 | Very high | 96.4 | Very high | 114 Ų | 114 | 36.7 Ų | 36.7 | 53% | 0.533 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -34.4 | 177.5 | -172.3 | -177 | 172.1 | 0 | 0 | 112.6 | I230 K271 | I230-E232 HydrophobicContact CG2-CB 4.21Å; I230-E232 PolarHBondContact O-N 2.85Å; E232-K271 WeakPolarHBondContact OE1-CE 3.28Å; E232-K271 IonicContact OE1-NZ 3.51Å; E232-K271 PolarHBondContact OE1-NZ 3.2Å; E232-K271 IonicContact OE2-NZ 2.98Å |
| 233 | I | 95.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | 12.8 | -176.3 | 54.8 | 159.7 | 0 | 0 | 0 | 112.1 | I230 G231 T235 V263 E266 W275 | I230-I233 HydrophobicContact CB-CD1 4.33Å; I230-I233 HydrophobicContact CB-CG1 3.86Å; I230-I233 HydrophobicContact CG2-CD1 4.27Å; I230-I233 HydrophobicContact CG2-CG1 3.63Å; I230-I233 PolarHBondContact O-N 2.73Å; G231-I233 VanDerWaalsContact C-N 3.29Å; G231-I233 PolarHBondContact O-N 3.5Å; I233-T235 VanDerWaalsContact C-N 3.32Å; I233-T235 HydrophobicContact CD1-CG2 4.09Å; I233-T235 PolarHBondContact O-N 2.81Å; I233-T235 PolarHBondContact O-OG1 3.31Å; I233-V263 HydrophobicContact CB-CG2 4.4Å; I233-V263 HydrophobicContact CD1-CB 4.44Å; I233-V263 HydrophobicContact CD1-CG1 3.8Å; I233-V263 HydrophobicContact CD1-CG2 4.27Å; I233-E266 HydrophobicContact CG2-CB 3.89Å; I233-E266 HydrophobicContact CG2-CG 4.17Å; I233-W275 HydrophobicContact CD1-CE3 4Å; I233-W275 HydrophobicContact CD1-CH2 3.78Å; I233-W275 HydrophobicContact CD1-CZ3 3.48Å; I233-W275 VanDerWaalsContact CD1-CZ3 3.48Å; I233-W275 HydrophobicContact CG1-CH2 4.18Å; I233-W275 HydrophobicContact CG1-CZ3 4.35Å; I233-W275 HydrophobicContact CG2-CH2 3.98Å |
| 234 | F | 97.2 | Very high | 96.2 | Very high | 113 Ų | 113 | 37.1 Ų | 37.1 | 50% | 0.496 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.9 | 54.2 | -179.5 | -57.5 | -83.9 | 0 | 0 | 0 | 112.5 | Y229 I230 P254 D255 T258 | Y229-F234 VanDerWaalsContact OH-CA 3.31Å; Y229-F234 WeakPolarHBondContact OH-CA 2.98Å; Y229-F234 WeakPolarHBondContact OH-CD1 3.27Å; I230-F234 WeakPolarHBondContact O-CA 3.27Å; I230-F234 PolarHBondContact O-N 3.28Å; F234-P254 CarbonylContact O-C 3.48Å; F234-P254 WeakPolarHBondContact O-CA 3.48Å; F234-D255 HydrophobicContact CB-CB 4.43Å; F234-D255 PolarHBondContact O-N 3.17Å; F234-T258 WeakPolarHBondContact CB-OG1 3.29Å |
| 235 | T | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 129.4 | -168.3 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | Y229 I230 I233 I237 M252 V263 | Y229-T235 WeakPolarHBondContact CA-O 3.44Å; I230-T235 PolarHBondContact N-O 3.48Å; I230-T235 PolarHBondContact O-N 2.79Å; I233-T235 VanDerWaalsContact C-N 3.32Å; I233-T235 HydrophobicContact CD1-CG2 4.09Å; I233-T235 PolarHBondContact O-N 2.81Å; I233-T235 PolarHBondContact O-OG1 3.31Å; T235-I237 HydrophobicContact CG2-CG1 4.34Å; T235-M252 HydrophobicContact CG2-CB 3.93Å; T235-V263 VanDerWaalsContact OG1-CG2 3.31Å; T235-V263 WeakPolarHBondContact OG1-CG2 3.22Å |
| 236 | Q | 98.1 | Very high | 95.9 | Very high | 54 Ų | 54 | 42.5 Ų | 42.5 | 25% | 0.252 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 137.8 | 168.3 | -65.7 | 179.4 | 54.8 | 0 | 0 | 109.9 | Y229 L253 R367 F368 | Y229-Q236 HydrophobicContact CD2-CG 3.74Å; Y229-Q236 HydrophobicContact CE2-CG 4.28Å; Q236-L253 PolarHBondContact N-O 3.42Å; Q236-L253 PolarHBondContact O-N 3.32Å; Q236-R367 PolarHBondContact OE1-O 2.89Å; Q236-F368 HydrophobicContact CB-CD2 3.95Å; Q236-F368 HydrophobicContact CB-CE2 3.77Å |
| 237 | I | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 127.1 | 173.4 | -53.6 | -179.4 | 0 | 0 | 0 | 108.7 | K227 T228 I230 T235 I250 I251 M252 W275 M281 | K227-I237 CarbonylContact C-O 3.54Å; K227-I237 WeakPolarHBondContact CA-O 3.34Å; K227-I237 WeakPolarHBondContact CB-O 3.48Å; T228-I237 HydrophobicContact CG2-CB 4.08Å; T228-I237 HydrophobicContact CG2-CD1 4.39Å; T228-I237 HydrophobicContact CG2-CG1 4.47Å; T228-I237 PolarHBondContact N-O 3.05Å; T228-I237 PolarHBondContact O-N 3.43Å; I230-I237 HydrophobicContact CD1-CD1 4.27Å; I230-I237 HydrophobicContact CG1-CD1 3.62Å; I230-I237 HydrophobicContact CG1-CG1 4.25Å; T235-I237 HydrophobicContact CG2-CG1 4.34Å; I237-I250 HydrophobicContact CG2-CG2 3.63Å; I237-I251 VanDerWaalsContact CA-O 3.26Å; I237-I251 WeakPolarHBondContact CA-O 3.49Å; I237-M252 HydrophobicContact CD1-CE 4.18Å; I237-M252 HydrophobicContact CD1-CG 4.27Å; I237-M252 HydrophobicContact CG1-CG 4.09Å; I237-M252 HydrophobicContact CG2-CG 4.47Å; I237-W275 HydrophobicContact CD1-CB 3.75Å; I237-M281 HydrophobicContact CB-CE 3.92Å; I237-M281 HydrophobicContact CG2-CE 3.55Å |
| 238 | L | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140.1 | 176.1 | -178.3 | 71.5 | 0 | 0 | 0 | 110.2 | F225 K227 L240 I250 I251 V288 F368 | F225-L238 HydrophobicContact CB-CD1 3.69Å; F225-L238 HydrophobicContact CG-CD1 4.3Å; K227-L238 HydrophobicContact CB-CD1 4.21Å; L238-L240 HydrophobicContact CD2-CD2 3.94Å; L238-L240 HydrophobicContact CD2-CG 4.18Å; L238-L240 HydrophobicContact CG-CD2 4.29Å; L238-L240 HydrophobicContact CG-CG 4.43Å; L238-I250 WeakPolarHBondContact O-CA 3.35Å; L238-I251 PolarHBondContact N-O 3.02Å; L238-I251 PolarHBondContact O-N 2.84Å; L238-V288 HydrophobicContact CD1-CG2 4.44Å; L238-V288 HydrophobicContact CD2-CB 4.34Å; L238-V288 HydrophobicContact CD2-CG1 3.62Å; L238-V288 HydrophobicContact CD2-CG2 3.72Å; L238-F368 HydrophobicContact CB-CD1 4.15Å; L238-F368 HydrophobicContact CB-CD2 3.75Å; L238-F368 HydrophobicContact CB-CE1 3.98Å; L238-F368 HydrophobicContact CB-CE2 3.56Å; L238-F368 HydrophobicContact CB-CG 4.03Å; L238-F368 HydrophobicContact CB-CZ 3.68Å; L238-F368 HydrophobicContact CD2-CB 4.26Å; L238-F368 HydrophobicContact CD2-CD1 3.51Å; L238-F368 HydrophobicContact CD2-CD2 4.4Å; L238-F368 HydrophobicContact CD2-CE1 3.86Å; L238-F368 HydrophobicContact CD2-CG 3.8Å; L238-F368 HydrophobicContact CD2-CZ 4.43Å; L238-F368 HydrophobicContact CG-CD1 4.44Å; L238-F368 HydrophobicContact CG-CG 4.41Å |
| 239 | V | 98.1 | Very high | 95.7 | Very high | 6 Ų | 6 | 37.1 Ų | 37.1 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 118.6 | 175.8 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | K226 N248 M249 I250 L278 M281 | K226-V239 HydrophobicContact CB-CB 4.21Å; K226-V239 HydrophobicContact CB-CG2 4.38Å; K226-V239 PolarHBondContact O-N 2.88Å; V239-N248 HydrophobicContact CG1-CB 3.77Å; V239-M249 WeakPolarHBondContact CA-O 3.32Å; V239-I250 HydrophobicContact CG2-CG1 4.35Å; V239-L278 HydrophobicContact CB-CD2 4.38Å; V239-L278 HydrophobicContact CG1-CD2 3.99Å; V239-L278 HydrophobicContact CG2-CD2 3.85Å; V239-M281 HydrophobicContact CG2-CE 3.83Å; V239-M281 HydrophobicContact CG2-SD 3.6Å |
| 240 | L | 97.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 108.8 | 174.7 | -61.9 | 178.5 | 0 | 0 | 0 | 109.4 | W192 F196 F225 L238 M249 I251 L290 | W192-L240 HydrophobicContact CE3-CB 4.14Å; W192-L240 HydrophobicContact CH2-CB 4.46Å; W192-L240 HydrophobicContact CH2-CD1 4.42Å; W192-L240 HydrophobicContact CZ3-CB 3.86Å; F196-L240 HydrophobicContact CZ-CD1 4.38Å; F225-L240 HydrophobicContact CD1-CD2 3.79Å; F225-L240 HydrophobicContact CD2-CD2 4.29Å; F225-L240 HydrophobicContact CE1-CD2 3.51Å; F225-L240 HydrophobicContact CE2-CD2 4.01Å; F225-L240 HydrophobicContact CG-CD2 4.16Å; F225-L240 HydrophobicContact CZ-CD2 3.6Å; L238-L240 HydrophobicContact CD2-CD2 3.94Å; L238-L240 HydrophobicContact CD2-CG 4.18Å; L238-L240 HydrophobicContact CG-CD2 4.29Å; L238-L240 HydrophobicContact CG-CG 4.43Å; L240-M249 HydrophobicContact CB-CB 4.4Å; L240-M249 PolarHBondContact N-O 3.38Å; L240-M249 PolarHBondContact O-N 2.95Å; L240-I251 HydrophobicContact CD1-CD1 4Å; L240-L290 HydrophobicContact CD1-CD2 3.84Å |
| 241 | P | 96.6 | Very high | 95.9 | Very high | 22 Ų | 22 | 31.2 Ų | 31.2 | 14% | 0.143 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 144.8 | 178.5 | 27.8 | -32 | 0 | 0 | 0 | 112 | D193 K245 N248 | D193-P241 HydrophobicContact CB-CB 4.07Å; D193-P241 HydrophobicContact CB-CG 3.92Å; D193-P241 WeakPolarHBondContact CB-O 3.35Å; D193-P241 PolarHBondContact N-O 2.99Å; P241-K245 HydrophobicContact CB-CG 4.18Å; P241-N248 WeakPolarHBondContact CA-OD1 3.23Å |
| 242 | Y | 95.3 | Very high | 96 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -86.5 | 163.6 | 163.6 | -68.5 | -90.3 | 0 | 0 | 0 | 110.5 | F188 G190 N191 W192 G244 K245 L247 M249 I378 | F188-Y242 AromaticContact CE1-CE1 3.9Å; F188-Y242 HydrophobicContact CE1-CE1 3.9Å; F188-Y242 HydrophobicContact CE1-CE2 4.45Å; F188-Y242 AromaticContact CE1-CZ 3.76Å; F188-Y242 HydrophobicContact CZ-CD1 4.25Å; F188-Y242 AromaticContact CZ-CE1 3.89Å; F188-Y242 HydrophobicContact CZ-CE1 3.89Å; F188-Y242 HydrophobicContact CZ-CE2 4.29Å; F188-Y242 AromaticContact CZ-CZ 3.91Å; G190-Y242 WeakPolarHBondContact O-CD1 3.23Å; G190-Y242 VanDerWaalsContact O-CE1 3.28Å; G190-Y242 WeakPolarHBondContact O-CE1 3.44Å; N191-Y242 CarbonylContact O-C 3.45Å; N191-Y242 WeakPolarHBondContact O-CA 3.45Å; N191-Y242 WeakPolarHBondContact O-CB 3.34Å; N191-Y242 VanDerWaalsContact O-CD1 3.29Å; N191-Y242 WeakPolarHBondContact O-CD1 3.31Å; W192-Y242 HydrophobicContact CE3-CD1 4.07Å; W192-Y242 AromaticContact CE3-CE1 3.89Å; W192-Y242 HydrophobicContact CE3-CE1 3.89Å; W192-Y242 HydrophobicContact CE3-CE2 4.45Å; W192-Y242 HydrophobicContact CE3-CG 4.42Å; W192-Y242 HydrophobicContact CH2-CE1 4.13Å; W192-Y242 HydrophobicContact CH2-CE2 4.42Å; W192-Y242 AromaticContact CH2-CZ 3.78Å; W192-Y242 HydrophobicContact CZ3-CD1 4.18Å; W192-Y242 HydrophobicContact CZ3-CD2 4.23Å; W192-Y242 AromaticContact CZ3-CE1 3.64Å; W192-Y242 HydrophobicContact CZ3-CE1 3.64Å; W192-Y242 AromaticContact CZ3-CE2 3.72Å; W192-Y242 HydrophobicContact CZ3-CE2 3.72Å; W192-Y242 HydrophobicContact CZ3-CG 4.46Å; W192-Y242 AromaticContact CZ3-CZ 3.38Å; Y242-G244 PolarHBondContact O-N 2.93Å; Y242-K245 WeakPolarHBondContact O-CA 3.36Å; Y242-K245 PolarHBondContact O-N 2.89Å; Y242-L247 HydrophobicContact CD2-CB 3.73Å; Y242-L247 HydrophobicContact CG-CB 4.24Å; Y242-L247 PolarHBondContact N-O 3.08Å; Y242-M249 HydrophobicContact CE2-CB 3.93Å; Y242-M249 WeakPolarHBondContact OH-CE 3.47Å; Y242-I378 HydrophobicContact CE2-CG2 4.35Å |
| 243 | V | 93.2 | Very high | 96.2 | Very high | 43 Ų | 43 | 23.9 Ų | 23.9 | 26% | 0.261 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | -49.5 | 133 | 178.4 | 176 | 0 | 0 | 0 | 0 | 110.9 | Q104 N191 W192 K245 | Q104-V243 HydrophobicContact CB-CB 4.02Å; Q104-V243 HydrophobicContact CB-CG1 3.69Å; Q104-V243 HydrophobicContact CG-CG1 3.87Å; N191-V243 HydrophobicContact CB-CG2 3.8Å; N191-V243 PolarHBondContact O-N 2.86Å; W192-V243 VanDerWaalsContact O-CG2 3.26Å; W192-V243 WeakPolarHBondContact O-CG2 3.31Å; V243-K245 PolarHBondContact O-N 3.4Å |
| 244 | G | 90.2 | Very high | 96.3 | Very high | 47 Ų | 47 | 24 Ų | 24 | 49% | 0.485 | 13% | 0.127 | S | C | . | . | G | 310 helix | trans | 79.4 | -4.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | Y242 E246 | Y242-G244 PolarHBondContact O-N 2.93Å; G244-E246 PolarHBondContact O-N 3.5Å; G244-E246 VanDerWaalsContact O-N 3.12Å |
| 245 | K | 91.5 | Very high | 96.3 | Very high | 124 Ų | 124 | 20.6 Ų | 20.6 | 54% | 0.539 | 11% | 0.114 | S | C | . | . | G | 310 helix | trans | 55.5 | 28 | 176.9 | -51.7 | -176 | 179.8 | -174.2 | 0 | 113.1 | D193 P241 Y242 V243 S381 | D193-K245 WeakPolarHBondContact OD2-CE 3.47Å; D193-K245 IonicContact OD2-NZ 2.73Å; P241-K245 HydrophobicContact CB-CG 4.18Å; Y242-K245 WeakPolarHBondContact O-CA 3.36Å; Y242-K245 PolarHBondContact O-N 2.89Å; V243-K245 PolarHBondContact O-N 3.4Å; K245-S381 PolarHBondContact O-OG 3.43Å |
| 246 | E | 91.2 | Very high | 95.9 | Very high | 72 Ų | 72 | 26.8 Ų | 26.8 | 34% | 0.336 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -80.2 | -28.5 | 174.4 | -64.4 | -173.3 | 153.7 | 0 | 0 | 111.4 | T103 Y105 G244 H380 S381 | T103-E246 WeakPolarHBondContact CG2-OE2 3.49Å; Y105-E246 HydrophobicContact CD1-CB 4.44Å; Y105-E246 HydrophobicContact CE1-CB 4.05Å; Y105-E246 WeakPolarHBondContact CE1-OE2 3.05Å; G244-E246 PolarHBondContact O-N 3.5Å; G244-E246 VanDerWaalsContact O-N 3.12Å; E246-H380 PolarHBondContact O-CD2 3.29Å; E246-S381 PolarHBondContact O-N 3.45Å; E246-S381 PolarHBondContact O-OG 2.86Å |
| 247 | L | 94 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 149 | 176.5 | -57.7 | -179.2 | 0 | 0 | 0 | 110.1 | Y105 F188 Y242 I378 Q379 H380 L387 | Y105-L247 HydrophobicContact CD1-CD1 3.55Å; Y105-L247 HydrophobicContact CD1-CG 3.76Å; Y105-L247 HydrophobicContact CD2-CD1 3.71Å; Y105-L247 HydrophobicContact CE1-CD1 3.89Å; Y105-L247 HydrophobicContact CE1-CD2 4.22Å; Y105-L247 HydrophobicContact CE1-CG 3.8Å; Y105-L247 HydrophobicContact CE2-CD1 4.07Å; Y105-L247 HydrophobicContact CG-CD1 3.45Å; Y105-L247 VanDerWaalsContact CG-CD1 3.45Å; Y105-L247 HydrophobicContact CG-CG 4.2Å; F188-L247 HydrophobicContact CD2-CD1 4.34Å; F188-L247 HydrophobicContact CE2-CD1 3.3Å; F188-L247 HydrophobicContact CZ-CD1 3.73Å; Y242-L247 HydrophobicContact CD2-CB 3.73Å; Y242-L247 HydrophobicContact CG-CB 4.24Å; Y242-L247 PolarHBondContact N-O 3.08Å; L247-I378 HydrophobicContact CD1-CG2 4.43Å; L247-Q379 VanDerWaalsContact CA-O 3.31Å; L247-Q379 WeakPolarHBondContact CA-O 3.4Å; L247-H380 HydrophobicContact CD2-CB 3.83Å; L247-L387 HydrophobicContact CD1-CD1 4.46Å; L247-L387 HydrophobicContact CD2-CD1 3.51Å |
| 248 | N | 95.8 | Very high | 95.2 | Very high | 10 Ų | 10 | 31.8 Ų | 31.8 | 5% | 0.053 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 138.4 | 171.5 | -64.5 | -44.7 | 0 | 0 | 0 | 109.9 | V239 P241 I378 Q379 S381 | V239-N248 HydrophobicContact CG1-CB 3.77Å; P241-N248 WeakPolarHBondContact CA-OD1 3.23Å; N248-I378 WeakPolarHBondContact O-CA 3.46Å; N248-Q379 PolarHBondContact N-O 2.85Å; N248-Q379 PolarHBondContact O-N 3.35Å; N248-S381 PolarHBondContact ND2-OG 3.44Å |
| 249 | M | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 125.1 | 157.6 | -177.3 | 173.5 | -76.9 | 0 | 0 | 108.6 | W192 V239 L240 Y242 I251 V342 F376 F377 I378 | W192-M249 HydrophobicContact CH2-CB 3.83Å; W192-M249 HydrophobicContact CH2-CE 3.9Å; W192-M249 HydrophobicContact CH2-CG 4.34Å; W192-M249 HydrophobicContact CH2-SD 3.64Å; W192-M249 HydrophobicContact CZ2-SD 4.45Å; W192-M249 HydrophobicContact CZ3-CB 3.76Å; V239-M249 WeakPolarHBondContact CA-O 3.32Å; L240-M249 HydrophobicContact CB-CB 4.4Å; L240-M249 PolarHBondContact N-O 3.38Å; L240-M249 PolarHBondContact O-N 2.95Å; Y242-M249 HydrophobicContact CE2-CB 3.93Å; Y242-M249 WeakPolarHBondContact OH-CE 3.47Å; M249-I251 HydrophobicContact CG-CG1 4.06Å; M249-I251 HydrophobicContact SD-CD1 4.3Å; M249-I251 HydrophobicContact SD-CG1 4.25Å; M249-V342 HydrophobicContact CE-CG2 3.73Å; M249-F376 HydrophobicContact CE-CD2 4.02Å; M249-F376 HydrophobicContact CE-CE2 4.45Å; M249-F377 CarbonylContact C-O 3.59Å; M249-F377 VanDerWaalsContact CA-O 3.3Å; M249-F377 WeakPolarHBondContact CA-O 3.2Å; M249-I378 HydrophobicContact CE-CD1 4.35Å; M249-I378 HydrophobicContact CE-CG1 4.26Å |
| 250 | I | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.5 | 175.3 | -60.3 | 168.3 | 0 | 0 | 0 | 107 | I237 L238 V239 F272 T276 F376 F377 Q379 | I237-I250 HydrophobicContact CG2-CG2 3.63Å; L238-I250 WeakPolarHBondContact O-CA 3.35Å; V239-I250 HydrophobicContact CG2-CG1 4.35Å; I250-F272 HydrophobicContact CD1-CZ 4.2Å; I250-T276 HydrophobicContact CD1-CG2 3.99Å; I250-T276 HydrophobicContact CG2-CG2 3.86Å; I250-F376 CarbonylContact O-C 3.19Å; I250-F376 WeakPolarHBondContact O-CA 3.32Å; I250-F377 HydrophobicContact CB-CB 4.42Å; I250-F377 PolarHBondContact N-O 2.94Å; I250-F377 PolarHBondContact O-N 2.62Å; I250-Q379 HydrophobicContact CD1-CB 4.11Å |
| 251 | I | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 124.8 | 179.4 | -52.8 | 175.8 | 0 | 0 | 0 | 108.1 | I237 L238 L240 M249 L290 F368 F374 L375 F376 | I237-I251 VanDerWaalsContact CA-O 3.26Å; I237-I251 WeakPolarHBondContact CA-O 3.49Å; L238-I251 PolarHBondContact N-O 3.02Å; L238-I251 PolarHBondContact O-N 2.84Å; L240-I251 HydrophobicContact CD1-CD1 4Å; M249-I251 HydrophobicContact CG-CG1 4.06Å; M249-I251 HydrophobicContact SD-CD1 4.3Å; M249-I251 HydrophobicContact SD-CG1 4.25Å; I251-L290 HydrophobicContact CD1-CD1 3.6Å; I251-L290 HydrophobicContact CD1-CD2 4.09Å; I251-L290 HydrophobicContact CD1-CG 4.48Å; I251-F368 HydrophobicContact CB-CE1 4.21Å; I251-F368 HydrophobicContact CB-CZ 3.89Å; I251-F368 HydrophobicContact CD1-CE1 4.41Å; I251-F368 HydrophobicContact CG2-CE1 3.94Å; I251-F368 HydrophobicContact CG2-CZ 3.67Å; I251-F374 HydrophobicContact CG2-CB 4.24Å; I251-F374 HydrophobicContact CG2-CD2 3.71Å; I251-F374 HydrophobicContact CG2-CE2 4.28Å; I251-F374 HydrophobicContact CG2-CG 4.05Å; I251-L375 WeakPolarHBondContact CA-O 3.47Å; I251-F376 HydrophobicContact CG1-CB 4.45Å |
| 252 | M | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 106.9 | 173.6 | -56.8 | -176.3 | 173.1 | 0 | 0 | 108.5 | T235 I237 L267 F272 T276 F374 L375 F377 | T235-M252 HydrophobicContact CG2-CB 3.93Å; I237-M252 HydrophobicContact CD1-CE 4.18Å; I237-M252 HydrophobicContact CD1-CG 4.27Å; I237-M252 HydrophobicContact CG1-CG 4.09Å; I237-M252 HydrophobicContact CG2-CG 4.47Å; M252-L267 HydrophobicContact CE-CD1 4.14Å; M252-L267 HydrophobicContact SD-CD1 4.14Å; M252-L267 HydrophobicContact SD-CD2 4.19Å; M252-F272 HydrophobicContact CE-CD2 3.57Å; M252-F272 HydrophobicContact CE-CE2 3.74Å; M252-T276 HydrophobicContact CE-CG2 3.78Å; M252-F374 WeakPolarHBondContact O-CB 3.35Å; M252-L375 HydrophobicContact CB-CB 4.28Å; M252-L375 PolarHBondContact N-O 2.93Å; M252-L375 PolarHBondContact O-N 2.86Å; M252-F377 HydrophobicContact CE-CD2 4.41Å; M252-F377 HydrophobicContact CE-CE2 4.05Å; M252-F377 HydrophobicContact CG-CE2 4.22Å; M252-F377 HydrophobicContact SD-CE2 3.77Å |
| 253 | L | 98.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 102.9 | -176.4 | -178 | 69.8 | 0 | 0 | 0 | 109.1 | Q236 F368 C369 A370 H372 F374 | Q236-L253 PolarHBondContact N-O 3.42Å; Q236-L253 PolarHBondContact O-N 3.32Å; L253-F368 HydrophobicContact CB-CE1 4.44Å; L253-F368 HydrophobicContact CB-CE2 3.8Å; L253-F368 HydrophobicContact CB-CZ 3.58Å; L253-F368 HydrophobicContact CD2-CD1 4.49Å; L253-F368 HydrophobicContact CD2-CD2 4.43Å; L253-F368 HydrophobicContact CD2-CE1 4.18Å; L253-F368 HydrophobicContact CD2-CE2 4.12Å; L253-F368 HydrophobicContact CD2-CZ 3.99Å; L253-F368 HydrophobicContact CG-CZ 4.44Å; L253-C369 VanDerWaalsContact CD2-O 3.26Å; L253-C369 WeakPolarHBondContact CD2-O 3.49Å; L253-A370 HydrophobicContact CD1-CB 4.38Å; L253-A370 HydrophobicContact CD2-CB 4.49Å; L253-H372 WeakPolarHBondContact CD1-NE2 3.45Å; L253-F374 HydrophobicContact CD1-CB 3.85Å; L253-F374 HydrophobicContact CD1-CD1 4.47Å |
| 254 | P | 97.6 | Very high | 93.9 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.019 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 159 | 174 | 27.2 | -33.7 | 0 | 0 | 0 | 110.9 | F234 T258 L260 V263 H372 | F234-P254 CarbonylContact O-C 3.48Å; F234-P254 WeakPolarHBondContact O-CA 3.48Å; P254-T258 HydrophobicContact CB-CG2 3.94Å; P254-L260 HydrophobicContact CG-CD1 3.66Å; P254-V263 HydrophobicContact CB-CG2 3.97Å; P254-V263 HydrophobicContact CG-CG2 4.46Å; P254-H372 PolarHBondContact O-NE2 2.89Å |
| 255 | D | 96.3 | Very high | 94.1 | Very high | 43 Ų | 43 | 47 Ų | 47 | 23% | 0.23 | 23% | 0.23 | C | C | . | . | trans | -63.8 | 152.9 | 168 | -67.2 | -22.9 | 0 | 0 | 0 | 110 | Y229 F234 T257 T258 | Y229-D255 PolarHBondContact OH-OD2 3.32Å; F234-D255 HydrophobicContact CB-CB 4.43Å; F234-D255 PolarHBondContact O-N 3.17Å; D255-T257 PolarHBondContact O-N 2.95Å; D255-T258 WeakPolarHBondContact O-CA 3.43Å; D255-T258 WeakPolarHBondContact O-CB 3.49Å; D255-T258 PolarHBondContact O-N 3.12Å | ||
| 256 | E | 90.9 | Very high | 94.2 | Very high | 129 Ų | 129 | 44.2 Ų | 44.2 | 60% | 0.603 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -24.8 | -175.6 | -64.7 | -173.5 | -160.9 | 0 | 0 | 114.4 | K207 T258 | K207-E256 IonicContact NZ-OE1 2.69Å; K207-E256 PolarHBondContact NZ-OE1 3.13Å; K207-E256 IonicContact NZ-OE2 3.09Å; K207-E256 PolarHBondContact NZ-OE2 3.5Å; E256-T258 VanDerWaalsContact C-N 3.34Å |
| 257 | T | 89.3 | Confident | 94.4 | Very high | 135 Ų | 135 | 40.9 Ų | 40.9 | 83% | 0.828 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -10.9 | 178.4 | 54.9 | 0 | 0 | 0 | 0 | 113.3 | D255 | D255-T257 PolarHBondContact O-N 2.95Š|
| 258 | T | 92.2 | Very high | 94.5 | Very high | 25 Ų | 25 | 43.3 Ų | 43.3 | 15% | 0.153 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -100.8 | 122 | -174.9 | -62.5 | 0 | 0 | 0 | 0 | 110.7 | F234 P254 D255 E256 L260 | F234-T258 WeakPolarHBondContact CB-OG1 3.29Å; P254-T258 HydrophobicContact CB-CG2 3.94Å; D255-T258 WeakPolarHBondContact O-CA 3.43Å; D255-T258 WeakPolarHBondContact O-CB 3.49Å; D255-T258 PolarHBondContact O-N 3.12Å; E256-T258 VanDerWaalsContact C-N 3.34Å; T258-L260 PolarHBondContact O-N 3.36Å |
| 259 | D | 90.4 | Very high | 94.4 | Very high | 63 Ų | 63 | 44.2 Ų | 44.2 | 34% | 0.337 | 22% | 0.221 | S | C | . | . | trans | -68.3 | 127.7 | 173.7 | -173.4 | -20.7 | 0 | 0 | 0 | 110.1 | R261 T262 | D259-R261 PolarHBondContact O-N 2.94Å; D259-R261 WeakPolarHBondContact OD1-CB 3.41Å; D259-R261 PolarHBondContact OD1-N 2.83Å; D259-R261 IonicContact OD1-NE 3.85Å; D259-R261 IonicContact OD2-CZ 2.8Å; D259-R261 IonicContact OD2-NE 3.96Å; D259-R261 PolarHBondContact OD2-NE 3.41Å; D259-R261 IonicContact OD2-NH2 2.66Å; D259-R261 PolarHBondContact OD2-NH2 2.84Å; D259-T262 VanDerWaalsContact O-CB 3.26Å; D259-T262 WeakPolarHBondContact O-CB 3.42Å; D259-T262 PolarHBondContact O-N 3Å; D259-T262 PolarHBondContact O-OG1 3.47Å | ||
| 260 | L | 92.3 | Very high | 94.3 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 7% | 0.068 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.3 | -27.7 | 177.6 | -167.4 | 66.5 | 0 | 0 | 0 | 112.9 | P254 T258 T262 V263 E264 P373 L375 R391 | P254-L260 HydrophobicContact CG-CD1 3.66Å; T258-L260 PolarHBondContact O-N 3.36Å; L260-T262 PolarHBondContact O-N 2.86Å; L260-V263 WeakPolarHBondContact O-CB 3.2Å; L260-V263 PolarHBondContact O-N 2.88Å; L260-V263 VanDerWaalsContact O-N 3.13Å; L260-E264 PolarHBondContact O-N 2.85Å; L260-P373 HydrophobicContact CD2-CB 3.92Å; L260-L375 HydrophobicContact CD1-CD2 4.43Å; L260-L375 HydrophobicContact CD1-CG 3.99Å; L260-L375 HydrophobicContact CD2-CD2 4.15Å; L260-L375 HydrophobicContact CG-CD2 4.33Å; L260-L375 HydrophobicContact CG-CG 4.39Å; L260-R391 HydrophobicContact CD2-CG 3.73Å |
| 261 | R | 89.6 | Confident | 94.1 | Very high | 135 Ų | 135 | 50.5 Ų | 50.5 | 51% | 0.509 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.6 | -33.8 | 172.6 | -84 | 179.2 | -64.2 | -152.8 | 3.9 | 113.9 | N42 D259 V263 E264 K265 | N42-R261 WeakPolarHBondContact ND2-CD 3.26Å; N42-R261 WeakPolarHBondContact ND2-CG 3.49Å; N42-R261 PolarHBondContact ND2-NE 3.46Å; N42-R261 PolarHBondContact ND2-NH1 3.22Å; N42-R261 WeakPolarHBondContact OD1-CD 3.32Å; N42-R261 WeakPolarHBondContact OD1-CG 3.32Å; D259-R261 PolarHBondContact O-N 2.94Å; D259-R261 WeakPolarHBondContact OD1-CB 3.41Å; D259-R261 PolarHBondContact OD1-N 2.83Å; D259-R261 IonicContact OD1-NE 3.85Å; D259-R261 IonicContact OD2-CZ 2.8Å; D259-R261 IonicContact OD2-NE 3.96Å; D259-R261 PolarHBondContact OD2-NE 3.41Å; D259-R261 IonicContact OD2-NH2 2.66Å; D259-R261 PolarHBondContact OD2-NH2 2.84Å; R261-V263 VanDerWaalsContact C-N 3.29Å; R261-E264 PolarHBondContact O-N 3.04Å; R261-K265 WeakPolarHBondContact O-CB 3.33Å; R261-K265 PolarHBondContact O-N 2.77Å |
| 262 | T | 91.3 | Very high | 94 | Very high | 66 Ų | 66 | 50.5 Ų | 50.5 | 41% | 0.405 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 178.3 | -53.5 | 0 | 0 | 0 | 0 | 109.1 | D259 L260 E266 | D259-T262 VanDerWaalsContact O-CB 3.26Å; D259-T262 WeakPolarHBondContact O-CB 3.42Å; D259-T262 PolarHBondContact O-N 3Å; D259-T262 PolarHBondContact O-OG1 3.47Å; L260-T262 PolarHBondContact O-N 2.86Å; T262-E266 WeakPolarHBondContact O-CB 3.32Å; T262-E266 WeakPolarHBondContact O-CG 3.16Å; T262-E266 PolarHBondContact O-N 3Å; T262-E266 VanDerWaalsContact O-N 3.12Å |
| 263 | V | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.4 | -53.8 | 173.9 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | I233 T235 P254 L260 R261 K265 E266 L267 L375 | I233-V263 HydrophobicContact CB-CG2 4.4Å; I233-V263 HydrophobicContact CD1-CB 4.44Å; I233-V263 HydrophobicContact CD1-CG1 3.8Å; I233-V263 HydrophobicContact CD1-CG2 4.27Å; T235-V263 VanDerWaalsContact OG1-CG2 3.31Å; T235-V263 WeakPolarHBondContact OG1-CG2 3.22Å; P254-V263 HydrophobicContact CB-CG2 3.97Å; P254-V263 HydrophobicContact CG-CG2 4.46Å; L260-V263 WeakPolarHBondContact O-CB 3.2Å; L260-V263 PolarHBondContact O-N 2.88Å; L260-V263 VanDerWaalsContact O-N 3.13Å; R261-V263 VanDerWaalsContact C-N 3.29Å; V263-K265 VanDerWaalsContact C-N 3.32Å; V263-K265 PolarHBondContact O-N 3.31Å; V263-E266 PolarHBondContact O-N 3.43Å; V263-L267 VanDerWaalsContact O-CB 3.27Å; V263-L267 WeakPolarHBondContact O-CB 3.43Å; V263-L267 PolarHBondContact O-N 3.29Å; V263-L375 HydrophobicContact CG1-CD1 4.05Å |
| 264 | E | 93.9 | Very high | 93.7 | Very high | 12 Ų | 12 | 58.8 Ų | 58.8 | 6% | 0.056 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.5 | -45.5 | -179.1 | -72.2 | -178.9 | 146 | 0 | 0 | 112 | K36 L260 R261 L267 L375 R391 | K36-E264 WeakPolarHBondContact CE-O 3.41Å; L260-E264 PolarHBondContact O-N 2.85Å; R261-E264 PolarHBondContact O-N 3.04Å; E264-L267 PolarHBondContact O-N 2.86Å; E264-L375 HydrophobicContact CG-CD1 3.95Å; E264-L375 HydrophobicContact CG-CD2 4.02Å; E264-L375 HydrophobicContact CG-CG 4.47Å; E264-R391 VanDerWaalsContact OE1-CD 3.31Å; E264-R391 WeakPolarHBondContact OE1-CD 3.19Å; E264-R391 IonicContact OE1-NE 2.65Å; E264-R391 PolarHBondContact OE1-NE 3.42Å |
| 265 | K | 92.8 | Very high | 93.6 | Very high | 153 Ų | 153 | 59.4 Ų | 59.4 | 67% | 0.665 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.1 | -47.5 | -178.3 | -177.8 | -174.9 | 172.5 | -164.8 | 0 | 111.8 | K36 R261 V263 L267 | K36-K265 PolarHBondContact NZ-O 3.47Å; R261-K265 WeakPolarHBondContact O-CB 3.33Å; R261-K265 PolarHBondContact O-N 2.77Å; V263-K265 VanDerWaalsContact C-N 3.32Å; V263-K265 PolarHBondContact O-N 3.31Å; K265-L267 VanDerWaalsContact C-N 3.31Å |
| 266 | E | 94.5 | Very high | 93.5 | Very high | 66 Ų | 66 | 57.7 Ų | 57.7 | 31% | 0.308 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -75.3 | -19.8 | -178.1 | -67.7 | -54.4 | 136.5 | 0 | 0 | 113 | I233 T262 V263 T268 K271 W275 | I233-E266 HydrophobicContact CG2-CB 3.89Å; I233-E266 HydrophobicContact CG2-CG 4.17Å; T262-E266 WeakPolarHBondContact O-CB 3.32Å; T262-E266 WeakPolarHBondContact O-CG 3.16Å; T262-E266 PolarHBondContact O-N 3Å; T262-E266 VanDerWaalsContact O-N 3.12Å; V263-E266 PolarHBondContact O-N 3.43Å; E266-T268 PolarHBondContact O-N 2.97Å; E266-K271 WeakPolarHBondContact O-CD 3.4Å; E266-K271 IonicContact OE2-NZ 2.72Å; E266-K271 PolarHBondContact OE2-NZ 2.96Å; E266-W275 HydrophobicContact CB-CH2 4.48Å |
| 267 | L | 95.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | trans | -69.5 | 102.9 | -179.3 | -165.7 | 62.9 | 0 | 0 | 0 | 110.9 | L32 K36 M252 V263 E264 K265 F272 W275 L375 F377 | L32-L267 HydrophobicContact CD1-CG 4.13Å; L32-L267 HydrophobicContact CD2-CD2 3.52Å; L32-L267 HydrophobicContact CD2-CG 3.79Å; K36-L267 WeakPolarHBondContact CE-O 3.03Å; K36-L267 PolarHBondContact NZ-O 3.05Å; M252-L267 HydrophobicContact CE-CD1 4.14Å; M252-L267 HydrophobicContact SD-CD1 4.14Å; M252-L267 HydrophobicContact SD-CD2 4.19Å; V263-L267 VanDerWaalsContact O-CB 3.27Å; V263-L267 WeakPolarHBondContact O-CB 3.43Å; V263-L267 PolarHBondContact O-N 3.29Å; E264-L267 PolarHBondContact O-N 2.86Å; K265-L267 VanDerWaalsContact C-N 3.31Å; L267-F272 HydrophobicContact CD1-CB 3.95Å; L267-F272 HydrophobicContact CD1-CD2 4.22Å; L267-W275 HydrophobicContact CD1-CE3 3.73Å; L267-W275 HydrophobicContact CD1-CZ3 3.57Å; L267-L375 HydrophobicContact CD2-CD1 4.03Å; L267-F377 HydrophobicContact CD2-CE2 4.3Å; L267-F377 HydrophobicContact CD2-CZ 3.65Å | ||
| 268 | T | 95.7 | Very high | 93.6 | Very high | 51 Ų | 51 | 53.3 Ų | 53.3 | 31% | 0.313 | 25% | 0.252 | S | S | . | . | trans | -102.4 | 169.3 | 165.4 | 78.3 | 0 | 0 | 0 | 0 | 109.9 | L32 E266 E270 K271 F272 | L32-T268 WeakPolarHBondContact CD1-O 3.48Å; E266-T268 PolarHBondContact O-N 2.97Å; T268-E270 VanDerWaalsContact C-N 3.3Å; T268-E270 VanDerWaalsContact CB-OE2 3.26Å; T268-E270 WeakPolarHBondContact CB-OE2 3.26Å; T268-E270 PolarHBondContact O-N 3.25Å; T268-E270 PolarHBondContact OG1-OE2 2.65Å; T268-K271 PolarHBondContact O-N 3.25Å; T268-K271 PolarHBondContact OG1-N 2.88Å; T268-F272 WeakPolarHBondContact O-CB 3.42Å; T268-F272 PolarHBondContact O-N 3.19Å | ||
| 269 | Y | 94.3 | Very high | 93.5 | Very high | 29 Ų | 29 | 57.5 Ų | 57.5 | 11% | 0.114 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 179.1 | 176.2 | -104.9 | 0 | 0 | 0 | 111.5 | E25 F272 V273 | E25-Y269 VanDerWaalsContact CA-CE1 3.4Å; E25-Y269 VanDerWaalsContact CA-CZ 3.42Å; E25-Y269 HydrophobicContact CB-CD1 3.98Å; E25-Y269 HydrophobicContact CB-CE1 3.49Å; E25-Y269 VanDerWaalsContact CB-CE1 3.49Å; E25-Y269 HydrophobicContact CG-CD1 3.61Å; E25-Y269 HydrophobicContact CG-CE1 3.66Å; E25-Y269 HydrophobicContact CG-CG 4.46Å; E25-Y269 PolarHBondContact N-OH 3.34Å; Y269-F272 PolarHBondContact O-N 2.78Å; Y269-V273 HydrophobicContact CD1-CG2 4.23Å; Y269-V273 HydrophobicContact CD2-CG2 4.24Å; Y269-V273 HydrophobicContact CE1-CG2 3.72Å; Y269-V273 HydrophobicContact CE2-CG2 3.74Å; Y269-V273 HydrophobicContact CG-CG2 4.49Å; Y269-V273 VanDerWaalsContact CZ-CG2 3.47Å; Y269-V273 WeakPolarHBondContact O-CG2 3.3Å; Y269-V273 PolarHBondContact O-N 3.23Å |
| 270 | E | 94.3 | Very high | 93.6 | Very high | 98 Ų | 98 | 60.8 Ų | 60.8 | 46% | 0.458 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 179.2 | -55.9 | 75.4 | -164.6 | 0 | 0 | 110.6 | K80 T268 V273 E274 | K80-E270 IonicContact NZ-OE1 2.83Å; T268-E270 VanDerWaalsContact C-N 3.3Å; T268-E270 VanDerWaalsContact CB-OE2 3.26Å; T268-E270 WeakPolarHBondContact CB-OE2 3.26Å; T268-E270 PolarHBondContact O-N 3.25Å; T268-E270 PolarHBondContact OG1-OE2 2.65Å; E270-V273 PolarHBondContact O-N 3.05Å; E270-E274 WeakPolarHBondContact O-CB 3.35Å; E270-E274 PolarHBondContact O-N 3.5Å |
| 271 | K | 96.1 | Very high | 93.7 | Very high | 34 Ų | 34 | 60.9 Ų | 60.9 | 15% | 0.148 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 173.8 | -80.9 | 176 | 161.1 | -168.4 | 0 | 111.9 | E232 E266 T268 V273 E274 W275 | E232-K271 WeakPolarHBondContact OE1-CE 3.28Å; E232-K271 IonicContact OE1-NZ 3.51Å; E232-K271 PolarHBondContact OE1-NZ 3.2Å; E232-K271 IonicContact OE2-NZ 2.98Å; E266-K271 WeakPolarHBondContact O-CD 3.4Å; E266-K271 IonicContact OE2-NZ 2.72Å; E266-K271 PolarHBondContact OE2-NZ 2.96Å; T268-K271 PolarHBondContact O-N 3.25Å; T268-K271 PolarHBondContact OG1-N 2.88Å; K271-V273 PolarHBondContact O-N 3.06Å; K271-E274 PolarHBondContact O-N 2.91Å; K271-W275 HydrophobicContact CB-CD2 4.08Å; K271-W275 HydrophobicContact CB-CE3 4.17Å; K271-W275 HydrophobicContact CB-CH2 3.91Å; K271-W275 HydrophobicContact CB-CZ2 3.77Å; K271-W275 HydrophobicContact CB-CZ3 4.09Å; K271-W275 HydrophobicContact CD-CH2 3.69Å; K271-W275 HydrophobicContact CD-CZ2 3.55Å; K271-W275 HydrophobicContact CG-CH2 4.13Å; K271-W275 HydrophobicContact CG-CZ2 3.7Å; K271-W275 VanDerWaalsContact O-CB 3.27Å; K271-W275 WeakPolarHBondContact O-CB 3.27Å; K271-W275 VanDerWaalsContact O-CD2 3.3Å; K271-W275 PolarHBondContact O-N 2.69Å |
| 272 | F | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.4 | -49.5 | 175.9 | 177.7 | -89 | 0 | 0 | 0 | 110.9 | L32 I250 M252 L267 T268 Y269 T276 F377 I386 | L32-F272 HydrophobicContact CD1-CB 4.13Å; I250-F272 HydrophobicContact CD1-CZ 4.2Å; M252-F272 HydrophobicContact CE-CD2 3.57Å; M252-F272 HydrophobicContact CE-CE2 3.74Å; L267-F272 HydrophobicContact CD1-CB 3.95Å; L267-F272 HydrophobicContact CD1-CD2 4.22Å; T268-F272 WeakPolarHBondContact O-CB 3.42Å; T268-F272 PolarHBondContact O-N 3.19Å; Y269-F272 PolarHBondContact O-N 2.78Å; F272-T276 HydrophobicContact CD2-CG2 4.36Å; F272-T276 HydrophobicContact CE1-CG2 4.47Å; F272-T276 HydrophobicContact CE2-CG2 4.11Å; F272-T276 HydrophobicContact CZ-CG2 4.17Å; F272-T276 WeakPolarHBondContact O-CB 2.76Å; F272-T276 VanDerWaalsContact O-CG2 3.27Å; F272-T276 WeakPolarHBondContact O-CG2 3.46Å; F272-T276 PolarHBondContact O-N 3.45Å; F272-T276 VanDerWaalsContact O-N 3.08Å; F272-T276 PolarHBondContact O-OG1 3.31Å; F272-F377 HydrophobicContact CD2-CE1 4.49Å; F272-F377 HydrophobicContact CD2-CE2 4.43Å; F272-F377 HydrophobicContact CD2-CZ 4.41Å; F272-F377 HydrophobicContact CE2-CB 4.18Å; F272-F377 AromaticContact CE2-CD1 3.83Å; F272-F377 HydrophobicContact CE2-CD1 3.83Å; F272-F377 AromaticContact CE2-CD2 3.66Å; F272-F377 HydrophobicContact CE2-CD2 3.66Å; F272-F377 HydrophobicContact CE2-CE1 4.11Å; F272-F377 AromaticContact CE2-CE2 3.96Å; F272-F377 HydrophobicContact CE2-CE2 3.96Å; F272-F377 AromaticContact CE2-CG 3.6Å; F272-F377 HydrophobicContact CE2-CG 3.6Å; F272-F377 HydrophobicContact CE2-CZ 4.17Å; F272-F377 HydrophobicContact CZ-CB 4.2Å; F272-F377 HydrophobicContact CZ-CD1 4.35Å; F272-F377 HydrophobicContact CZ-CD2 4.48Å; F272-F377 HydrophobicContact CZ-CG 4.09Å; F272-I386 HydrophobicContact CD1-CD1 3.94Å; F272-I386 HydrophobicContact CD1-CG1 4.48Å; F272-I386 HydrophobicContact CE1-CD1 3.69Å; F272-I386 HydrophobicContact CE1-CG1 3.82Å; F272-I386 HydrophobicContact CE2-CD1 4.3Å; F272-I386 HydrophobicContact CG-CD1 4.36Å; F272-I386 HydrophobicContact CZ-CD1 3.9Å; F272-I386 HydrophobicContact CZ-CG1 4.05Å |
| 273 | V | 94.1 | Very high | 93.9 | Very high | 55 Ų | 55 | 62.5 Ų | 62.5 | 33% | 0.333 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60 | -50.7 | 177.5 | 169.8 | 0 | 0 | 0 | 0 | 110.1 | Y269 E270 K271 W275 T276 R277 | Y269-V273 HydrophobicContact CD1-CG2 4.23Å; Y269-V273 HydrophobicContact CD2-CG2 4.24Å; Y269-V273 HydrophobicContact CE1-CG2 3.72Å; Y269-V273 HydrophobicContact CE2-CG2 3.74Å; Y269-V273 HydrophobicContact CG-CG2 4.49Å; Y269-V273 VanDerWaalsContact CZ-CG2 3.47Å; Y269-V273 WeakPolarHBondContact O-CG2 3.3Å; Y269-V273 PolarHBondContact O-N 3.23Å; E270-V273 PolarHBondContact O-N 3.05Å; K271-V273 PolarHBondContact O-N 3.06Å; V273-W275 PolarHBondContact O-N 3.37Å; V273-T276 PolarHBondContact O-N 3.43Å; V273-R277 WeakPolarHBondContact O-CG 3.39Å; V273-R277 PolarHBondContact O-N 2.85Å |
| 274 | E | 95 | Very high | 93.8 | Very high | 124 Ų | 124 | 65.7 Ų | 65.7 | 58% | 0.579 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -56 | -51 | 179.8 | -178 | 179.2 | -175.3 | 0 | 0 | 112.6 | E270 K271 T276 R277 | E270-E274 WeakPolarHBondContact O-CB 3.35Å; E270-E274 PolarHBondContact O-N 3.5Å; K271-E274 PolarHBondContact O-N 2.91Å; E274-T276 VanDerWaalsContact C-N 3.26Å; E274-T276 PolarHBondContact O-N 2.9Å; E274-R277 WeakPolarHBondContact O-CB 3.38Å; E274-R277 WeakPolarHBondContact O-CG 3.5Å; E274-R277 PolarHBondContact O-N 3.18Å |
| 275 | W | 95.7 | Very high | 93.8 | Very high | 15 Ų | 15 | 69 Ų | 69 | 6% | 0.057 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72.5 | -18.4 | -176.1 | -59.7 | -18.3 | 0 | 0 | 0 | 113.5 | I230 I233 I237 E266 L267 K271 V273 | I230-W275 HydrophobicContact CD1-CB 3.86Å; I230-W275 HydrophobicContact CD1-CG 3.78Å; I230-W275 HydrophobicContact CG1-CB 4.05Å; I230-W275 HydrophobicContact CG1-CD2 4.23Å; I230-W275 HydrophobicContact CG1-CG 3.87Å; I230-W275 HydrophobicContact CG2-CD2 4.05Å; I230-W275 HydrophobicContact CG2-CG 4.27Å; I230-W275 HydrophobicContact CG2-CZ2 4.02Å; I233-W275 HydrophobicContact CD1-CE3 4Å; I233-W275 HydrophobicContact CD1-CH2 3.78Å; I233-W275 HydrophobicContact CD1-CZ3 3.48Å; I233-W275 VanDerWaalsContact CD1-CZ3 3.48Å; I233-W275 HydrophobicContact CG1-CH2 4.18Å; I233-W275 HydrophobicContact CG1-CZ3 4.35Å; I233-W275 HydrophobicContact CG2-CH2 3.98Å; I237-W275 HydrophobicContact CD1-CB 3.75Å; E266-W275 HydrophobicContact CB-CH2 4.48Å; L267-W275 HydrophobicContact CD1-CE3 3.73Å; L267-W275 HydrophobicContact CD1-CZ3 3.57Å; K271-W275 HydrophobicContact CB-CD2 4.08Å; K271-W275 HydrophobicContact CB-CE3 4.17Å; K271-W275 HydrophobicContact CB-CH2 3.91Å; K271-W275 HydrophobicContact CB-CZ2 3.77Å; K271-W275 HydrophobicContact CB-CZ3 4.09Å; K271-W275 HydrophobicContact CD-CH2 3.69Å; K271-W275 HydrophobicContact CD-CZ2 3.55Å; K271-W275 HydrophobicContact CG-CH2 4.13Å; K271-W275 HydrophobicContact CG-CZ2 3.7Å; K271-W275 VanDerWaalsContact O-CB 3.27Å; K271-W275 WeakPolarHBondContact O-CB 3.27Å; K271-W275 VanDerWaalsContact O-CD2 3.3Å; K271-W275 PolarHBondContact O-N 2.69Å; V273-W275 PolarHBondContact O-N 3.37Å |
| 276 | T | 94.5 | Very high | 93.9 | Very high | 8 Ų | 8 | 61.8 Ų | 61.8 | 5% | 0.049 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 13.5 | -179.4 | 64.1 | 0 | 0 | 0 | 0 | 113.3 | I250 M252 F272 V273 E274 L278 | I250-T276 HydrophobicContact CD1-CG2 3.99Å; I250-T276 HydrophobicContact CG2-CG2 3.86Å; M252-T276 HydrophobicContact CE-CG2 3.78Å; F272-T276 HydrophobicContact CD2-CG2 4.36Å; F272-T276 HydrophobicContact CE1-CG2 4.47Å; F272-T276 HydrophobicContact CE2-CG2 4.11Å; F272-T276 HydrophobicContact CZ-CG2 4.17Å; F272-T276 WeakPolarHBondContact O-CB 2.76Å; F272-T276 VanDerWaalsContact O-CG2 3.27Å; F272-T276 WeakPolarHBondContact O-CG2 3.46Å; F272-T276 PolarHBondContact O-N 3.45Å; F272-T276 VanDerWaalsContact O-N 3.08Å; F272-T276 PolarHBondContact O-OG1 3.31Å; V273-T276 PolarHBondContact O-N 3.43Å; E274-T276 VanDerWaalsContact C-N 3.26Å; E274-T276 PolarHBondContact O-N 2.9Å; T276-L278 PolarHBondContact O-N 2.75Å |
| 277 | R | 92.5 | Very high | 94 | Very high | 118 Ų | 118 | 60.4 Ų | 60.4 | 45% | 0.445 | 29% | 0.293 | S | S | . | . | trans | -63.6 | 101.3 | 174 | -76.3 | -170.4 | 62.5 | 165.5 | -4.8 | 111.6 | V273 E274 D279 M280 M281 | V273-R277 WeakPolarHBondContact O-CG 3.39Å; V273-R277 PolarHBondContact O-N 2.85Å; E274-R277 WeakPolarHBondContact O-CB 3.38Å; E274-R277 WeakPolarHBondContact O-CG 3.5Å; E274-R277 PolarHBondContact O-N 3.18Å; R277-D279 WeakPolarHBondContact CB-OD1 3.47Å; R277-D279 IonicContact CZ-OD2 2.9Å; R277-D279 IonicContact NE-OD1 3.24Å; R277-D279 PolarHBondContact NE-OD1 3.1Å; R277-D279 IonicContact NE-OD2 2.85Å; R277-D279 IonicContact NH2-OD1 2.82Å; R277-D279 IonicContact NH2-OD2 3.51Å; R277-D279 PolarHBondContact NH2-OD2 3.08Å; R277-D279 PolarHBondContact O-N 3.24Å; R277-D279 VanDerWaalsContact O-N 3.1Å; R277-M280 HydrophobicContact CB-CB 4.1Å; R277-M280 HydrophobicContact CB-CG 3.95Å; R277-M280 PolarHBondContact O-N 2.78Å; R277-M281 PolarHBondContact O-N 3.14Å | ||
| 278 | L | 90.7 | Very high | 94.1 | Very high | 54 Ų | 54 | 60.3 Ų | 60.3 | 28% | 0.283 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -25.7 | -176.7 | -58.3 | -179 | 0 | 0 | 0 | 114 | K226 V239 T276 M280 M281 | K226-L278 HydrophobicContact CD-CB 4.09Å; K226-L278 HydrophobicContact CD-CD2 4.2Å; K226-L278 PolarHBondContact NZ-O 3.22Å; V239-L278 HydrophobicContact CB-CD2 4.38Å; V239-L278 HydrophobicContact CG1-CD2 3.99Å; V239-L278 HydrophobicContact CG2-CD2 3.85Å; T276-L278 PolarHBondContact O-N 2.75Å; L278-M280 VanDerWaalsContact C-N 3.29Å; L278-M281 HydrophobicContact CD2-SD 4.07Å |
| 279 | D | 90.4 | Very high | 94.3 | Very high | 112 Ų | 112 | 58.2 Ų | 58.2 | 60% | 0.599 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -16.7 | 177 | 60.7 | -41.6 | 0 | 0 | 0 | 113.4 | R277 | R277-D279 WeakPolarHBondContact CB-OD1 3.47Å; R277-D279 IonicContact CZ-OD2 2.9Å; R277-D279 IonicContact NE-OD1 3.24Å; R277-D279 PolarHBondContact NE-OD1 3.1Å; R277-D279 IonicContact NE-OD2 2.85Å; R277-D279 IonicContact NH2-OD1 2.82Å; R277-D279 IonicContact NH2-OD2 3.51Å; R277-D279 PolarHBondContact NH2-OD2 3.08Å; R277-D279 PolarHBondContact O-N 3.24Å; R277-D279 VanDerWaalsContact O-N 3.1Å |
| 280 | M | 90.9 | Very high | 94.5 | Very high | 132 Ų | 132 | 56.9 Ų | 56.9 | 65% | 0.65 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -105.6 | -2.8 | -178.8 | -59.5 | -60.7 | -60.7 | 0 | 0 | 113.2 | R277 L278 | R277-M280 HydrophobicContact CB-CB 4.1Å; R277-M280 HydrophobicContact CB-CG 3.95Å; R277-M280 PolarHBondContact O-N 2.78Å; L278-M280 VanDerWaalsContact C-N 3.29Å |
| 281 | M | 94.4 | Very high | 94.7 | Very high | 16 Ų | 16 | 52.2 Ų | 52.2 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -90.2 | 145.6 | 179.5 | -69 | 178.5 | 127.8 | 0 | 0 | 111.4 | K226 T228 I237 V239 R277 L278 | K226-M281 HydrophobicContact CB-CB 4.07Å; K226-M281 HydrophobicContact CB-SD 4.21Å; T228-M281 HydrophobicContact CG2-CE 3.61Å; T228-M281 HydrophobicContact CG2-CG 4.22Å; I237-M281 HydrophobicContact CB-CE 3.92Å; I237-M281 HydrophobicContact CG2-CE 3.55Å; V239-M281 HydrophobicContact CG2-CE 3.83Å; V239-M281 HydrophobicContact CG2-SD 3.6Å; R277-M281 PolarHBondContact O-N 3.14Å; L278-M281 HydrophobicContact CD2-SD 4.07Å |
| 282 | D | 92.4 | Very high | 94.7 | Very high | 102 Ų | 102 | 55 Ų | 55 | 55% | 0.545 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 129.9 | 173.3 | -64.9 | -51.1 | 0 | 0 | 0 | 109.5 | K226 K227 | K226-D282 CarbonylContact C-O 3.6Å; K226-D282 VanDerWaalsContact CA-O 3.3Å; K226-D282 WeakPolarHBondContact CA-O 3.44Å; K227-D282 PolarHBondContact N-O 3.46Å; K227-D282 PolarHBondContact O-N 3.25Å |
| 283 | E | 94.1 | Very high | 94.6 | Very high | 133 Ų | 133 | 55.6 Ų | 55.6 | 62% | 0.621 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 104.9 | 172.3 | -174.1 | 166.1 | -135.7 | 0 | 0 | 108.4 | T224 K226 | T224-E283 HydrophobicContact CG2-CG 3.55Å; K226-E283 HydrophobicContact CG-CB 4.29Å; K226-E283 HydrophobicContact CG-CG 4.44Å |
| 284 | E | 91.5 | Very high | 94.6 | Very high | 66 Ų | 66 | 58.6 Ų | 58.6 | 31% | 0.308 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 166.3 | -173.5 | 64.8 | -179.8 | 149.3 | 0 | 0 | 112 | T224 F225 K227 V286 | T224-E284 CarbonylContact C-O 3.54Å; T224-E284 VanDerWaalsContact CA-O 3.28Å; T224-E284 WeakPolarHBondContact CA-O 3.44Å; F225-E284 PolarHBondContact N-O 3.48Å; F225-E284 PolarHBondContact O-N 3.23Å; F225-E284 VanDerWaalsContact O-N 3.16Å; K227-E284 HydrophobicContact CD-CG 4.04Å; K227-E284 WeakPolarHBondContact CD-OE1 3.44Å; K227-E284 WeakPolarHBondContact CE-OE1 3.42Å; K227-E284 VanDerWaalsContact NZ-CD 3.26Å; K227-E284 IonicContact NZ-OE1 2.65Å; K227-E284 PolarHBondContact NZ-OE1 3.26Å; K227-E284 IonicContact NZ-OE2 3.74Å; E284-V286 HydrophobicContact CG-CG2 4.12Å |
| 285 | E | 94.4 | Very high | 94.5 | Very high | 82 Ų | 82 | 52.9 Ų | 52.9 | 38% | 0.383 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 128.9 | 175.9 | -169.9 | 175 | -150.7 | 0 | 0 | 110.6 | Q222 S223 V365 P366 | Q222-E285 HydrophobicContact CG-CG 3.95Å; Q222-E285 VanDerWaalsContact NE2-CD 3.27Å; Q222-E285 PolarHBondContact NE2-OE1 3.21Å; S223-E285 CarbonylContact O-C 3.59Å; S223-E285 WeakPolarHBondContact O-CA 3.36Å; E285-V365 HydrophobicContact CG-CG1 4.12Å; E285-P366 WeakPolarHBondContact O-CD 3.45Å |
| 286 | V | 94.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 136.6 | -176.1 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | Q222 S223 K227 E284 V288 P366 F368 | Q222-V286 WeakPolarHBondContact CA-O 3.48Å; S223-V286 PolarHBondContact N-O 3.41Å; S223-V286 VanDerWaalsContact N-O 3.15Å; S223-V286 PolarHBondContact O-N 2.85Å; K227-V286 HydrophobicContact CD-CG2 3.47Å; K227-V286 VanDerWaalsContact CD-CG2 3.47Å; E284-V286 HydrophobicContact CG-CG2 4.12Å; V286-V288 HydrophobicContact CB-CG2 4.28Å; V286-V288 HydrophobicContact CG1-CG2 3.96Å; V286-P366 WeakPolarHBondContact CA-O 3.31Å; V286-P366 WeakPolarHBondContact CG1-O 3.26Å; V286-F368 HydrophobicContact CG1-CB 3.94Å |
| 287 | E | 97.1 | Very high | 94.3 | Very high | 37 Ų | 37 | 58.3 Ų | 58.3 | 17% | 0.173 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 110.1 | 164.1 | -74.3 | 179.9 | 179.3 | 0 | 0 | 109 | F220 Q222 V365 P366 R367 F368 | F220-E287 HydrophobicContact CE2-CB 3.96Å; F220-E287 HydrophobicContact CE2-CG 4.22Å; F220-E287 HydrophobicContact CZ-CB 4.24Å; F220-E287 HydrophobicContact CZ-CG 4.01Å; Q222-E287 HydrophobicContact CB-CG 4.39Å; Q222-E287 HydrophobicContact CG-CG 4.27Å; E287-V365 HydrophobicContact CG-CB 4.34Å; E287-V365 HydrophobicContact CG-CG1 3.95Å; E287-P366 PolarHBondContact N-O 3.49Å; E287-R367 HydrophobicContact CB-CG 4.03Å; E287-R367 WeakPolarHBondContact O-CA 3.34Å; E287-R367 VanDerWaalsContact OE2-CG 3.31Å; E287-R367 WeakPolarHBondContact OE2-CG 3.49Å; E287-R367 IonicContact OE2-CZ 2.74Å; E287-R367 IonicContact OE2-NE 3.64Å; E287-R367 PolarHBondContact OE2-NE 3.42Å; E287-R367 IonicContact OE2-NH2 2.7Å; E287-F368 PolarHBondContact O-N 3.19Å |
| 288 | V | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 122.6 | -177.2 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | F196 F220 K221 F225 L238 V286 F368 | F196-V288 HydrophobicContact CE1-CG1 4.26Å; F196-V288 HydrophobicContact CZ-CG1 4.23Å; F220-V288 WeakPolarHBondContact CA-O 3.48Å; K221-V288 HydrophobicContact CG-CB 4.36Å; K221-V288 PolarHBondContact N-O 3.22Å; K221-V288 PolarHBondContact O-N 3.06Å; F225-V288 HydrophobicContact CD2-CG2 3.73Å; F225-V288 HydrophobicContact CE2-CG2 3.81Å; L238-V288 HydrophobicContact CD1-CG2 4.44Å; L238-V288 HydrophobicContact CD2-CB 4.34Å; L238-V288 HydrophobicContact CD2-CG1 3.62Å; L238-V288 HydrophobicContact CD2-CG2 3.72Å; V286-V288 HydrophobicContact CB-CG2 4.28Å; V286-V288 HydrophobicContact CG1-CG2 3.96Å; V288-F368 WeakPolarHBondContact CA-O 3.3Å; V288-F368 HydrophobicContact CG1-CD1 4.47Å |
| 289 | S | 98.5 | Very high | 94.4 | Very high | 7 Ų | 7 | 54.4 Ų | 54.4 | 5% | 0.049 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 122.6 | 166.7 | -53.1 | 0 | 0 | 0 | 0 | 109.8 | M219 F368 A370 | M219-S289 VanDerWaalsContact O-CA 3.26Å; M219-S289 WeakPolarHBondContact O-CA 3.39Å; S289-F368 PolarHBondContact N-O 3.04Å; S289-A370 PolarHBondContact O-N 3.46Å |
| 290 | L | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 126.4 | -177.3 | 179.2 | 64.3 | 0 | 0 | 0 | 109.9 | W192 F196 M218 M219 L240 I251 F293 V342 A370 F374 | W192-L290 HydrophobicContact CZ2-CD2 4.49Å; F196-L290 HydrophobicContact CZ-CB 4.3Å; F196-L290 HydrophobicContact CZ-CD2 4.28Å; M218-L290 PolarHBondContact SD-N 3.38Å; M218-L290 VanDerWaalsContact SD-N 3.41Å; M219-L290 WeakPolarHBondContact CB-O 3.48Å; M219-L290 HydrophobicContact CE-CB 4.08Å; M219-L290 HydrophobicContact CE-CD2 3.86Å; M219-L290 HydrophobicContact CE-CG 3.9Å; M219-L290 WeakPolarHBondContact CG-O 3.5Å; M219-L290 PolarHBondContact N-O 3.42Å; M219-L290 PolarHBondContact O-N 3.04Å; L240-L290 HydrophobicContact CD1-CD2 3.84Å; I251-L290 HydrophobicContact CD1-CD1 3.6Å; I251-L290 HydrophobicContact CD1-CD2 4.09Å; I251-L290 HydrophobicContact CD1-CG 4.48Å; L290-F293 HydrophobicContact CD1-CE1 4.48Å; L290-V342 HydrophobicContact CD2-CG1 4.19Å; L290-A370 HydrophobicContact CD1-CB 4.22Å; L290-F374 HydrophobicContact CD1-CZ 4.15Å |
| 291 | P | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 144.2 | 176.4 | 22.6 | -35 | 0 | 0 | 0 | 111.6 | F206 V216 M218 F293 A370 F374 F392 | F206-P291 HydrophobicContact CD2-CG 4.45Å; F206-P291 HydrophobicContact CE2-CG 4.34Å; V216-P291 HydrophobicContact CB-CB 4.35Å; V216-P291 HydrophobicContact CG2-CB 4.16Å; M218-P291 HydrophobicContact SD-CB 4.48Å; M218-P291 VanDerWaalsContact SD-N 3.36Å; P291-F293 HydrophobicContact CG-CD1 4.31Å; P291-F293 VanDerWaalsContact O-CD1 3.24Å; P291-F293 WeakPolarHBondContact O-CD1 3.49Å; P291-A370 WeakPolarHBondContact CD-O 3.39Å; P291-F374 HydrophobicContact CG-CE1 3.93Å; P291-F374 HydrophobicContact CG-CZ 4.17Å; P291-F392 HydrophobicContact CB-CE1 4.23Å; P291-F392 HydrophobicContact CG-CD1 4.21Å; P291-F392 HydrophobicContact CG-CE1 3.77Å |
| 292 | R | 96.6 | Very high | 94.7 | Very high | 93 Ų | 93 | 48 Ų | 48 | 35% | 0.351 | 23% | 0.23 | S | C | . | . | trans | -65.9 | 134.7 | 155.1 | -67.9 | -173.8 | 179.1 | 169.2 | -2.6 | 108.3 | Q217 M219 V342 E344 | Q217-R292 HydrophobicContact CB-CB 4.27Å; Q217-R292 HydrophobicContact CB-CG 4.21Å; Q217-R292 PolarHBondContact O-N 3.14Å; M219-R292 HydrophobicContact CG-CG 3.73Å; M219-R292 HydrophobicContact SD-CG 3.85Å; R292-V342 WeakPolarHBondContact CA-O 3.42Å; R292-E344 VanDerWaalsContact CZ-CD 3.48Å; R292-E344 IonicContact CZ-OE1 3.16Å; R292-E344 IonicContact CZ-OE2 2.84Å; R292-E344 IonicContact NE-OE1 3.63Å; R292-E344 PolarHBondContact NE-OE1 3.09Å; R292-E344 IonicContact NE-OE2 2.98Å; R292-E344 PolarHBondContact NE-OE2 3.35Å; R292-E344 IonicContact NH2-OE1 3.47Å; R292-E344 PolarHBondContact NH2-OE1 2.91Å; R292-E344 IonicContact NH2-OE2 3.23Å; R292-E344 PolarHBondContact NH2-OE2 3.31Å | ||
| 293 | F | 95.7 | Very high | 94.6 | Very high | 12 Ų | 12 | 46.4 Ų | 46.4 | 5% | 0.053 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 156.9 | 173.8 | 60.3 | -95.6 | 0 | 0 | 0 | 111.9 | L290 P291 L295 V340 E341 V342 F374 F376 F392 | L290-F293 HydrophobicContact CD1-CE1 4.48Å; P291-F293 HydrophobicContact CG-CD1 4.31Å; P291-F293 VanDerWaalsContact O-CD1 3.24Å; P291-F293 WeakPolarHBondContact O-CD1 3.49Å; F293-L295 HydrophobicContact CD2-CD1 4.29Å; F293-L295 HydrophobicContact CD2-CG 3.99Å; F293-L295 HydrophobicContact CE2-CD1 4.32Å; F293-L295 HydrophobicContact CE2-CG 4.44Å; F293-V340 HydrophobicContact CE2-CG1 4.47Å; F293-E341 CarbonylContact O-C 3.49Å; F293-E341 WeakPolarHBondContact O-CA 3.22Å; F293-V342 HydrophobicContact CD1-CB 4.11Å; F293-V342 HydrophobicContact CD1-CG1 4.46Å; F293-V342 HydrophobicContact CD2-CB 4.26Å; F293-V342 HydrophobicContact CD2-CG2 4.27Å; F293-V342 HydrophobicContact CE1-CB 3.8Å; F293-V342 HydrophobicContact CE1-CG1 3.98Å; F293-V342 HydrophobicContact CE1-CG2 3.98Å; F293-V342 HydrophobicContact CE2-CB 4Å; F293-V342 HydrophobicContact CE2-CG2 3.58Å; F293-V342 HydrophobicContact CG-CB 4.34Å; F293-V342 HydrophobicContact CZ-CB 3.76Å; F293-V342 HydrophobicContact CZ-CG1 4.27Å; F293-V342 HydrophobicContact CZ-CG2 3.41Å; F293-V342 VanDerWaalsContact CZ-CG2 3.41Å; F293-V342 PolarHBondContact N-O 2.82Å; F293-V342 VanDerWaalsContact N-O 3.14Å; F293-V342 PolarHBondContact O-N 3.16Å; F293-F374 HydrophobicContact CE1-CE2 4.39Å; F293-F374 AromaticContact CE1-CZ 3.98Å; F293-F374 HydrophobicContact CE1-CZ 3.98Å; F293-F376 HydrophobicContact CE2-CE1 4.09Å; F293-F376 HydrophobicContact CE2-CE2 4.43Å; F293-F376 AromaticContact CE2-CZ 3.91Å; F293-F376 HydrophobicContact CE2-CZ 3.91Å; F293-F376 HydrophobicContact CZ-CD1 4.42Å; F293-F376 HydrophobicContact CZ-CE1 4.19Å; F293-F376 HydrophobicContact CZ-CZ 4.24Å; F293-F392 HydrophobicContact CB-CD2 4Å; F293-F392 HydrophobicContact CB-CE2 3.34Å; F293-F392 HydrophobicContact CB-CZ 3.68Å; F293-F392 HydrophobicContact CD1-CD2 4.37Å; F293-F392 HydrophobicContact CD1-CE2 4.36Å; F293-F392 HydrophobicContact CD1-CZ 4.49Å; F293-F392 HydrophobicContact CD2-CD2 4.21Å; F293-F392 HydrophobicContact CD2-CE2 4.39Å; F293-F392 AromaticContact CG-CD2 3.96Å; F293-F392 HydrophobicContact CG-CD2 3.96Å; F293-F392 AromaticContact CG-CE2 3.82Å; F293-F392 HydrophobicContact CG-CE2 3.82Å; F293-F392 HydrophobicContact CG-CZ 4.28Å |
| 294 | K | 93.9 | Very high | 94.6 | Very high | 119 Ų | 119 | 40.8 Ų | 40.8 | 52% | 0.517 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 122.3 | 174.9 | 176.2 | 178.8 | 170.1 | 163.8 | 0 | 108 | F339 V340 E341 | K294-F339 HydrophobicContact CD-CE2 4.28Å; K294-F339 HydrophobicContact CD-CZ 4.08Å; K294-F339 HydrophobicContact CG-CE2 4.32Å; K294-F339 HydrophobicContact CG-CZ 4.15Å; K294-V340 CarbonylContact C-O 3.46Å; K294-V340 WeakPolarHBondContact CA-O 3.34Å; K294-E341 HydrophobicContact CG-CB 4.42Å |
| 295 | L | 92.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 126.1 | 177.1 | -60.8 | -178.4 | 0 | 0 | 0 | 109.3 | N45 F47 F293 F339 V340 F376 F392 | N45-L295 HydrophobicContact CB-CD1 4.32Å; N45-L295 HydrophobicContact CB-CD2 3.66Å; N45-L295 WeakPolarHBondContact ND2-CD2 3.09Å; F47-L295 HydrophobicContact CB-CB 4.03Å; F47-L295 HydrophobicContact CB-CD1 3.98Å; F47-L295 HydrophobicContact CD1-CB 4.42Å; F47-L295 HydrophobicContact CG-CB 4.28Å; F47-L295 HydrophobicContact CG-CD1 4.45Å; F293-L295 HydrophobicContact CD2-CD1 4.29Å; F293-L295 HydrophobicContact CD2-CG 3.99Å; F293-L295 HydrophobicContact CE2-CD1 4.32Å; F293-L295 HydrophobicContact CE2-CG 4.44Å; L295-F339 WeakPolarHBondContact O-CA 3.46Å; L295-V340 HydrophobicContact CB-CG1 3.96Å; L295-V340 PolarHBondContact N-O 3.32Å; L295-V340 PolarHBondContact O-N 3.19Å; L295-F376 HydrophobicContact CD1-CE1 3.94Å; L295-F376 HydrophobicContact CD1-CZ 3.92Å; L295-F392 HydrophobicContact CD1-CD2 4.44Å; L295-F392 HydrophobicContact CD2-CD2 4.18Å; L295-F392 HydrophobicContact CD2-CE2 4.42Å |
| 296 | E | 92.1 | Very high | 94.8 | Very high | 90 Ų | 90 | 36.8 Ų | 36.8 | 42% | 0.421 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 101 | 171.1 | -175.9 | -177.7 | 156.3 | 0 | 0 | 107.6 | K337 S338 F339 | E296-K337 WeakPolarHBondContact OE1-CE 3.28Å; E296-K337 IonicContact OE1-NZ 3.6Å; E296-K337 PolarHBondContact OE1-NZ 3.03Å; E296-S338 WeakPolarHBondContact CA-O 3.42Å; E296-F339 HydrophobicContact CB-CD2 4.07Å; E296-F339 HydrophobicContact CG-CD2 4.15Å |
| 297 | E | 92.9 | Very high | 94.7 | Very high | 46 Ų | 46 | 42.6 Ų | 42.6 | 22% | 0.215 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 136.4 | -174.2 | -68 | -64.6 | 152.3 | 0 | 0 | 110.1 | F47 Y299 K337 S338 | F47-E297 HydrophobicContact CB-CB 4.29Å; F47-E297 HydrophobicContact CB-CG 3.84Å; F47-E297 WeakPolarHBondContact O-CB 3.39Å; E297-Y299 HydrophobicContact CB-CE2 3.75Å; E297-Y299 WeakPolarHBondContact CB-OH 3.36Å; E297-K337 WeakPolarHBondContact O-CA 3.27Å; E297-S338 PolarHBondContact N-O 3.37Å; E297-S338 PolarHBondContact O-N 3.23Å |
| 298 | S | 93 | Very high | 94.5 | Very high | 62 Ų | 62 | 43.2 Ų | 43.2 | 43% | 0.434 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 125.4 | -177.9 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | H336 | S298-H336 CarbonylContact C-O 3.54Å; S298-H336 WeakPolarHBondContact CA-O 3.4Å |
| 299 | Y | 93.2 | Very high | 94.3 | Very high | 28 Ų | 28 | 44.8 Ų | 44.8 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 128.4 | -177.5 | -54.2 | -76.3 | 0 | 0 | 0 | 111.1 | L38 F47 F48 E297 M301 H336 | L38-Y299 HydrophobicContact CD1-CD1 4.27Å; L38-Y299 HydrophobicContact CD1-CD2 4.36Å; L38-Y299 HydrophobicContact CD1-CE1 4.04Å; L38-Y299 HydrophobicContact CD1-CE2 4.1Å; L38-Y299 HydrophobicContact CD1-CG 4.42Å; L38-Y299 HydrophobicContact CD2-CD1 3.7Å; L38-Y299 HydrophobicContact CD2-CE1 3.92Å; L38-Y299 HydrophobicContact CD2-CG 4.29Å; L38-Y299 HydrophobicContact CG-CE1 4.39Å; F47-Y299 PolarHBondContact N-OH 2.94Å; F47-Y299 VanDerWaalsContact O-CE2 3.29Å; F47-Y299 WeakPolarHBondContact O-CE2 3.3Å; F48-Y299 HydrophobicContact CB-CE2 4.15Å; E297-Y299 HydrophobicContact CB-CE2 3.75Å; E297-Y299 WeakPolarHBondContact CB-OH 3.36Å; Y299-M301 VanDerWaalsContact CB-SD 3.59Å; Y299-M301 HydrophobicContact CG-SD 4.36Å; Y299-M301 PolarHBondContact O-N 2.86Å; Y299-H336 AromaticContact CD2-CD2 3.95Å; Y299-H336 PolarHBondContact N-O 3.04Å; Y299-H336 PolarHBondContact O-N 2.94Å |
| 300 | D | 92.6 | Very high | 94.2 | Very high | 71 Ų | 71 | 44.4 Ų | 44.4 | 38% | 0.38 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 105.7 | 157.1 | -164.6 | -38.1 | 0 | 0 | 0 | 108.1 | E302 K333 | D300-E302 VanDerWaalsContact C-N 3.31Å; D300-E302 PolarHBondContact O-N 2.95Å; D300-E302 PolarHBondContact OD1-N 3.44Å; D300-K333 WeakPolarHBondContact OD2-CE 3.2Å; D300-K333 IonicContact OD2-NZ 3.98Å; D300-K333 PolarHBondContact OD2-NZ 3.12Å |
| 301 | M | 94.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -82.2 | -8.6 | -168 | -69.9 | -60.7 | -49.6 | 0 | 0 | 113.1 | L34 M53 Y299 S303 V304 L305 V334 H336 | L34-M301 HydrophobicContact CD1-CE 3.87Å; L34-M301 HydrophobicContact CD2-CE 4.41Å; M53-M301 HydrophobicContact CE-CE 3.27Å; M53-M301 HydrophobicContact CE-CG 3.99Å; M53-M301 HydrophobicContact CE-SD 3.56Å; M53-M301 VanDerWaalsContact CE-SD 3.56Å; Y299-M301 VanDerWaalsContact CB-SD 3.59Å; Y299-M301 HydrophobicContact CG-SD 4.36Å; Y299-M301 PolarHBondContact O-N 2.86Å; M301-S303 PolarHBondContact O-N 3.31Å; M301-V304 HydrophobicContact CE-CB 3.8Å; M301-V304 HydrophobicContact CE-CG1 3.63Å; M301-V304 HydrophobicContact CE-CG2 4.49Å; M301-V304 PolarHBondContact O-N 3.35Å; M301-V304 HydrophobicContact SD-CB 4.44Å; M301-L305 HydrophobicContact CB-CD1 3.91Å; M301-L305 HydrophobicContact CB-CG 4.27Å; M301-L305 HydrophobicContact CE-CD2 4.28Å; M301-L305 HydrophobicContact CE-CG 4.07Å; M301-L305 VanDerWaalsContact O-CB 3.27Å; M301-L305 WeakPolarHBondContact O-CB 3.4Å; M301-L305 WeakPolarHBondContact O-CG 3.01Å; M301-L305 PolarHBondContact O-N 2.84Å; M301-V334 HydrophobicContact CB-CB 3.92Å; M301-V334 HydrophobicContact CB-CG1 3.71Å; M301-V334 WeakPolarHBondContact CB-O 3.39Å; M301-V334 HydrophobicContact CG-CG1 4.27Å; M301-V334 PolarHBondContact N-O 3.16Å; M301-H336 HydrophobicContact CG-CB 3.93Å; M301-H336 HydrophobicContact SD-CB 4.38Å |
| 302 | E | 93.1 | Very high | 94.1 | Very high | 53 Ų | 53 | 47.5 Ų | 47.5 | 25% | 0.248 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.7 | -55.4 | -179 | 173.9 | 172.4 | -179.4 | 0 | 0 | 111.2 | D300 V304 L305 R306 F314 | D300-E302 VanDerWaalsContact C-N 3.31Å; D300-E302 PolarHBondContact O-N 2.95Å; D300-E302 PolarHBondContact OD1-N 3.44Å; E302-V304 VanDerWaalsContact C-N 3.25Å; E302-V304 PolarHBondContact O-N 2.81Å; E302-L305 PolarHBondContact O-N 2.82Å; E302-R306 HydrophobicContact CG-CG 4.35Å; E302-R306 WeakPolarHBondContact O-CB 3.12Å; E302-R306 VanDerWaalsContact O-CG 3.32Å; E302-R306 WeakPolarHBondContact O-CG 3.33Å; E302-R306 PolarHBondContact O-N 3.19Å; E302-R306 IonicContact OE1-CZ 2.93Å; E302-R306 IonicContact OE1-NE 2.73Å; E302-R306 PolarHBondContact OE1-NE 3Å; E302-R306 IonicContact OE1-NH2 3.09Å; E302-R306 PolarHBondContact OE1-NH2 3.24Å; E302-F314 HydrophobicContact CB-CD1 4.09Å; E302-F314 HydrophobicContact CB-CE1 3.81Å; E302-F314 HydrophobicContact CB-CZ 4.36Å; E302-F314 HydrophobicContact CG-CB 4.5Å; E302-F314 HydrophobicContact CG-CD1 3.59Å; E302-F314 HydrophobicContact CG-CE1 3.81Å; E302-F314 HydrophobicContact CG-CG 3.98Å; E302-F314 HydrophobicContact CG-CZ 4.38Å |
| 303 | S | 91.9 | Very high | 94.2 | Very high | 69 Ų | 69 | 43 Ų | 43 | 48% | 0.483 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.4 | -37.8 | -178.6 | 65.7 | 0 | 0 | 0 | 0 | 112.3 | M301 N307 | M301-S303 PolarHBondContact O-N 3.31Å; S303-N307 WeakPolarHBondContact O-CB 3.04Å; S303-N307 PolarHBondContact O-N 3.19Å; S303-N307 PolarHBondContact O-ND2 2.61Å; S303-N307 VanDerWaalsContact O-ND2 3.07Å |
| 304 | V | 93.9 | Very high | 94.2 | Very high | 16 Ų | 16 | 43 Ų | 43 | 10% | 0.097 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.5 | -48.3 | 179.3 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | L34 T37 L38 M301 E302 N307 L308 | L34-V304 HydrophobicContact CD1-CG1 3.57Å; T37-V304 HydrophobicContact CG2-CG1 3.89Å; L38-V304 HydrophobicContact CD2-CG1 4.12Å; L38-V304 HydrophobicContact CD2-CG2 3.83Å; M301-V304 HydrophobicContact CE-CB 3.8Å; M301-V304 HydrophobicContact CE-CG1 3.63Å; M301-V304 HydrophobicContact CE-CG2 4.49Å; M301-V304 PolarHBondContact O-N 3.35Å; M301-V304 HydrophobicContact SD-CB 4.44Å; E302-V304 VanDerWaalsContact C-N 3.25Å; E302-V304 PolarHBondContact O-N 2.81Å; V304-N307 PolarHBondContact O-N 3.14Å; V304-L308 HydrophobicContact CG1-CD1 4.24Å; V304-L308 WeakPolarHBondContact O-CG 3.31Å; V304-L308 PolarHBondContact O-N 2.78Å |
| 305 | L | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.3 | -38.3 | -179.1 | -68.5 | 170 | 0 | 0 | 0 | 111.7 | L57 I75 M301 E302 L308 G309 M310 F314 V334 | L57-L305 HydrophobicContact CD1-CD1 4.31Å; L57-L305 HydrophobicContact CD1-CD2 3.95Å; L57-L305 HydrophobicContact CD2-CD1 3.9Å; I75-L305 HydrophobicContact CG2-CD2 4.47Å; M301-L305 HydrophobicContact CB-CD1 3.91Å; M301-L305 HydrophobicContact CB-CG 4.27Å; M301-L305 HydrophobicContact CE-CD2 4.28Å; M301-L305 HydrophobicContact CE-CG 4.07Å; M301-L305 VanDerWaalsContact O-CB 3.27Å; M301-L305 WeakPolarHBondContact O-CB 3.4Å; M301-L305 WeakPolarHBondContact O-CG 3.01Å; M301-L305 PolarHBondContact O-N 2.84Å; E302-L305 PolarHBondContact O-N 2.82Å; L305-L308 CarbonylContact O-C 3.51Å; L305-L308 PolarHBondContact O-N 2.82Å; L305-G309 PolarHBondContact O-N 3.12Å; L305-G309 VanDerWaalsContact O-N 3.15Å; L305-M310 HydrophobicContact CB-CB 4.2Å; L305-M310 HydrophobicContact CB-SD 4.26Å; L305-M310 HydrophobicContact CD1-SD 4.26Å; L305-M310 HydrophobicContact CD2-CE 4.05Å; L305-M310 WeakPolarHBondContact O-CB 3.26Å; L305-M310 PolarHBondContact O-N 2.65Å; L305-F314 HydrophobicContact CB-CE2 3.86Å; L305-F314 HydrophobicContact CB-CZ 3.97Å; L305-F314 HydrophobicContact CD1-CE2 4.46Å; L305-F314 HydrophobicContact CD1-CZ 3.84Å; L305-V334 HydrophobicContact CD1-CB 4.35Å; L305-V334 HydrophobicContact CD1-CG1 4.2Å; L305-V334 HydrophobicContact CD1-CG2 4.33Å |
| 306 | R | 94.9 | Very high | 94.2 | Very high | 64 Ų | 64 | 45.9 Ų | 45.9 | 24% | 0.242 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.1 | -45.9 | 171.6 | -74.2 | 179.1 | 176.6 | -85.5 | 11 | 111.6 | E302 L308 G309 M310 T311 F314 E315 | E302-R306 HydrophobicContact CG-CG 4.35Å; E302-R306 WeakPolarHBondContact O-CB 3.12Å; E302-R306 VanDerWaalsContact O-CG 3.32Å; E302-R306 WeakPolarHBondContact O-CG 3.33Å; E302-R306 PolarHBondContact O-N 3.19Å; E302-R306 IonicContact OE1-CZ 2.93Å; E302-R306 IonicContact OE1-NE 2.73Å; E302-R306 PolarHBondContact OE1-NE 3Å; E302-R306 IonicContact OE1-NH2 3.09Å; E302-R306 PolarHBondContact OE1-NH2 3.24Å; R306-L308 PolarHBondContact O-N 3.36Å; R306-G309 WeakPolarHBondContact O-CA 3.37Å; R306-G309 PolarHBondContact O-N 3.47Å; R306-M310 WeakPolarHBondContact CA-O 3.5Å; R306-T311 PolarHBondContact NH1-O 2.81Å; R306-F314 HydrophobicContact CG-CD2 3.92Å; R306-F314 HydrophobicContact CG-CE2 4.37Å; R306-F314 PolarHBondContact NH2-O 2.9Å; R306-E315 IonicContact NH1-OE1 2.68Å; R306-E315 PolarHBondContact NH1-OE1 2.82Å; R306-E315 VanDerWaalsContact NH1-OE1 3.09Å |
| 307 | N | 92.5 | Very high | 94.1 | Very high | 122 Ų | 122 | 44.9 Ų | 44.9 | 65% | 0.652 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.2 | -28.5 | 176.9 | -75.4 | -26.6 | 0 | 0 | 0 | 113 | S303 V304 G309 | S303-N307 WeakPolarHBondContact O-CB 3.04Å; S303-N307 PolarHBondContact O-N 3.19Å; S303-N307 PolarHBondContact O-ND2 2.61Å; S303-N307 VanDerWaalsContact O-ND2 3.07Å; V304-N307 PolarHBondContact O-N 3.14Å; N307-G309 VanDerWaalsContact C-N 3.29Å |
| 308 | L | 92.1 | Very high | 94.3 | Very high | 50 Ų | 50 | 48.2 Ų | 48.2 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -9.1 | 173.7 | -70.6 | 172 | 0 | 0 | 0 | 113.2 | L34 T37 I75 V304 L305 R306 | L34-L308 HydrophobicContact CD1-CD1 4.43Å; T37-L308 WeakPolarHBondContact OG1-CD2 3.2Å; I75-L308 HydrophobicContact CD1-CB 4.04Å; I75-L308 WeakPolarHBondContact CD1-O 3.44Å; I75-L308 HydrophobicContact CG1-CB 4.1Å; I75-L308 VanDerWaalsContact CG1-O 3.3Å; I75-L308 WeakPolarHBondContact CG1-O 3.45Å; I75-L308 HydrophobicContact CG2-CB 4.28Å; I75-L308 HydrophobicContact CG2-CD1 4.38Å; V304-L308 HydrophobicContact CG1-CD1 4.24Å; V304-L308 WeakPolarHBondContact O-CG 3.31Å; V304-L308 PolarHBondContact O-N 2.78Å; L305-L308 CarbonylContact O-C 3.51Å; L305-L308 PolarHBondContact O-N 2.82Å; R306-L308 PolarHBondContact O-N 3.36Å |
| 309 | G | 94.6 | Very high | 94.5 | Very high | 33 Ų | 33 | 46 Ų | 46 | 34% | 0.34 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 111.3 | 5.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q71 I75 L305 R306 N307 T311 | Q71-G309 WeakPolarHBondContact CG-O 3.5Å; I75-G309 VanDerWaalsContact CD1-C 3.48Å; L305-G309 PolarHBondContact O-N 3.12Å; L305-G309 VanDerWaalsContact O-N 3.15Å; R306-G309 WeakPolarHBondContact O-CA 3.37Å; R306-G309 PolarHBondContact O-N 3.47Å; N307-G309 VanDerWaalsContact C-N 3.29Å; G309-T311 PolarHBondContact O-N 2.98Å |
| 310 | M | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -90.7 | 79.5 | 176.2 | -173.7 | -177.2 | -54.2 | 0 | 0 | 108.1 | M72 I75 L305 R306 A313 F314 | M72-M310 HydrophobicContact CB-CE 4.28Å; M72-M310 HydrophobicContact CE-CE 4.29Å; M72-M310 HydrophobicContact CE-SD 4.31Å; M72-M310 HydrophobicContact CG-CE 3.81Å; M72-M310 HydrophobicContact CG-CG 4.1Å; M72-M310 HydrophobicContact CG-SD 3.92Å; I75-M310 HydrophobicContact CD1-CB 3.42Å; I75-M310 VanDerWaalsContact CD1-CB 3.42Å; I75-M310 HydrophobicContact CD1-CE 4.31Å; I75-M310 HydrophobicContact CG2-CE 4.4Å; L305-M310 HydrophobicContact CB-CB 4.2Å; L305-M310 HydrophobicContact CB-SD 4.26Å; L305-M310 HydrophobicContact CD1-SD 4.26Å; L305-M310 HydrophobicContact CD2-CE 4.05Å; L305-M310 WeakPolarHBondContact O-CB 3.26Å; L305-M310 PolarHBondContact O-N 2.65Å; R306-M310 WeakPolarHBondContact CA-O 3.5Å; M310-A313 HydrophobicContact CG-CB 3.77Å; M310-A313 HydrophobicContact SD-CB 4.2Å; M310-F314 HydrophobicContact CB-CE2 4.38Å; M310-F314 HydrophobicContact CG-CE2 3.96Å; M310-F314 WeakPolarHBondContact O-CD2 3.43Å; M310-F314 WeakPolarHBondContact O-CE2 3.38Å; M310-F314 HydrophobicContact SD-CE2 3.97Å; M310-F314 HydrophobicContact SD-CZ 4.42Å | ||
| 311 | T | 97 | Very high | 94.9 | Very high | 45 Ų | 45 | 44.1 Ų | 44.1 | 28% | 0.276 | 26% | 0.255 | S | S | . | . | trans | -95.3 | -44.3 | -176.3 | 53.3 | 0 | 0 | 0 | 0 | 112.1 | Q71 R306 G309 A313 F314 | Q71-T311 PolarHBondContact NE2-OG1 2.83Å; Q71-T311 VanDerWaalsContact OE1-N 3.11Å; R306-T311 PolarHBondContact NH1-O 2.81Å; G309-T311 PolarHBondContact O-N 2.98Å; T311-A313 VanDerWaalsContact C-N 3.3Å; T311-A313 PolarHBondContact O-N 3.03Å; T311-F314 PolarHBondContact O-N 3.22Å | ||
| 312 | D | 98 | Very high | 95 | Very high | 19 Ų | 19 | 47.2 Ų | 47.2 | 10% | 0.102 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -66.2 | -37 | -168.6 | -69.3 | 23.5 | 0 | 0 | 0 | 111.2 | N67 Q71 F314 E315 K318 A319 | N67-D312 PolarHBondContact ND2-OD2 2.66Å; Q71-D312 PolarHBondContact NE2-OD1 2.86Å; Q71-D312 PolarHBondContact OE1-OD1 3.39Å; D312-F314 PolarHBondContact O-N 3.1Å; D312-E315 PolarHBondContact O-N 3.22Å; D312-K318 HydrophobicContact CB-CB 4.2Å; D312-A319 VanDerWaalsContact O-CA 3.24Å; D312-A319 WeakPolarHBondContact O-CA 3.26Å; D312-A319 VanDerWaalsContact O-CB 3.23Å; D312-A319 WeakPolarHBondContact O-CB 3.33Å; D312-A319 PolarHBondContact O-N 3.21Å |
| 313 | A | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -53.4 | -26.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T68 M310 T311 F321 L331 | T68-A313 HydrophobicContact CG2-CB 3.99Å; M310-A313 HydrophobicContact CG-CB 3.77Å; M310-A313 HydrophobicContact SD-CB 4.2Å; T311-A313 VanDerWaalsContact C-N 3.3Å; T311-A313 PolarHBondContact O-N 3.03Å; A313-F321 HydrophobicContact CB-CE2 4.43Å; A313-F321 HydrophobicContact CB-CZ 3.84Å; A313-F321 WeakPolarHBondContact O-CE2 3.27Å; A313-L331 HydrophobicContact CB-CD1 4.27Å; A313-L331 WeakPolarHBondContact O-CB 3.05Å; A313-L331 PolarHBondContact O-N 3.12Å |
| 314 | F | 96.9 | Very high | 95.3 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 5% | 0.053 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -105.6 | 5.8 | -176.9 | -58.9 | -86.6 | 0 | 0 | 0 | 112.9 | E302 L305 R306 M310 T311 D312 L331 V334 | E302-F314 HydrophobicContact CB-CD1 4.09Å; E302-F314 HydrophobicContact CB-CE1 3.81Å; E302-F314 HydrophobicContact CB-CZ 4.36Å; E302-F314 HydrophobicContact CG-CB 4.5Å; E302-F314 HydrophobicContact CG-CD1 3.59Å; E302-F314 HydrophobicContact CG-CE1 3.81Å; E302-F314 HydrophobicContact CG-CG 3.98Å; E302-F314 HydrophobicContact CG-CZ 4.38Å; L305-F314 HydrophobicContact CB-CE2 3.86Å; L305-F314 HydrophobicContact CB-CZ 3.97Å; L305-F314 HydrophobicContact CD1-CE2 4.46Å; L305-F314 HydrophobicContact CD1-CZ 3.84Å; R306-F314 HydrophobicContact CG-CD2 3.92Å; R306-F314 HydrophobicContact CG-CE2 4.37Å; R306-F314 PolarHBondContact NH2-O 2.9Å; M310-F314 HydrophobicContact CB-CE2 4.38Å; M310-F314 HydrophobicContact CG-CE2 3.96Å; M310-F314 WeakPolarHBondContact O-CD2 3.43Å; M310-F314 WeakPolarHBondContact O-CE2 3.38Å; M310-F314 HydrophobicContact SD-CE2 3.97Å; M310-F314 HydrophobicContact SD-CZ 4.42Å; T311-F314 PolarHBondContact O-N 3.22Å; D312-F314 PolarHBondContact O-N 3.1Å; F314-L331 HydrophobicContact CD1-CB 3.76Å; F314-L331 WeakPolarHBondContact CD1-O 3.37Å; F314-L331 HydrophobicContact CE1-CB 3.9Å; F314-L331 HydrophobicContact CE1-CD1 4.18Å; F314-L331 HydrophobicContact CG-CB 4.46Å; F314-L331 HydrophobicContact CZ-CD1 4.24Å; F314-V334 HydrophobicContact CE1-CG2 3.79Å; F314-V334 HydrophobicContact CZ-CG2 4.01Å |
| 315 | E | 95.4 | Very high | 95.3 | Very high | 57 Ų | 57 | 41.8 Ų | 41.8 | 27% | 0.266 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -115.2 | 113 | -177 | -74.7 | 179.3 | -151.5 | 0 | 0 | 110.9 | R306 D312 G317 K318 A319 | R306-E315 IonicContact NH1-OE1 2.68Å; R306-E315 PolarHBondContact NH1-OE1 2.82Å; R306-E315 VanDerWaalsContact NH1-OE1 3.09Å; D312-E315 PolarHBondContact O-N 3.22Å; E315-G317 PolarHBondContact O-N 2.87Å; E315-K318 HydrophobicContact CB-CB 4.13Å; E315-K318 HydrophobicContact CB-CD 4.39Å; E315-K318 HydrophobicContact CB-CG 4.43Å; E315-K318 PolarHBondContact O-N 3.29Å; E315-K318 VanDerWaalsContact OE2-CD 3.24Å; E315-K318 WeakPolarHBondContact OE2-CD 3.08Å; E315-K318 WeakPolarHBondContact OE2-CE 3.29Å; E315-K318 IonicContact OE2-NZ 3.06Å; E315-K318 PolarHBondContact OE2-NZ 3.42Å; E315-A319 WeakPolarHBondContact O-CB 2.86Å; E315-A319 PolarHBondContact O-N 2.84Å |
| 316 | L | 89.9 | Confident | 95.1 | Very high | 125 Ų | 125 | 48.6 Ų | 48.6 | 65% | 0.654 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 126.7 | 174.9 | -169.3 | 68.5 | 0 | 0 | 0 | 109.7 | ||
| 317 | G | 90.8 | Very high | 95 | Very high | 70 Ų | 70 | 48 Ų | 48 | 72% | 0.722 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.2 | -8.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | E315 | E315-G317 PolarHBondContact O-N 2.87Š|
| 318 | K | 96.2 | Very high | 94.9 | Very high | 116 Ų | 116 | 48.4 Ų | 48.4 | 50% | 0.504 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -35.1 | 166.4 | -65.4 | -169.8 | -169.6 | 160.1 | 0 | 112.7 | D312 E315 D320 | D312-K318 HydrophobicContact CB-CB 4.2Å; E315-K318 HydrophobicContact CB-CB 4.13Å; E315-K318 HydrophobicContact CB-CD 4.39Å; E315-K318 HydrophobicContact CB-CG 4.43Å; E315-K318 PolarHBondContact O-N 3.29Å; E315-K318 VanDerWaalsContact OE2-CD 3.24Å; E315-K318 WeakPolarHBondContact OE2-CD 3.08Å; E315-K318 WeakPolarHBondContact OE2-CE 3.29Å; E315-K318 IonicContact OE2-NZ 3.06Å; E315-K318 PolarHBondContact OE2-NZ 3.42Å; K318-D320 PolarHBondContact O-N 3.45Å |
| 319 | A | 97.4 | Very high | 95 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 12% | 0.124 | 27% | 0.274 | C | S | . | . | trans | -55.6 | 122.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110 | T68 D312 E315 F321 L329 | T68-A319 WeakPolarHBondContact OG1-CA 3.38Å; D312-A319 VanDerWaalsContact O-CA 3.24Å; D312-A319 WeakPolarHBondContact O-CA 3.26Å; D312-A319 VanDerWaalsContact O-CB 3.23Å; D312-A319 WeakPolarHBondContact O-CB 3.33Å; D312-A319 PolarHBondContact O-N 3.21Å; E315-A319 WeakPolarHBondContact O-CB 2.86Å; E315-A319 PolarHBondContact O-N 2.84Å; A319-F321 HydrophobicContact CB-CD2 3.94Å; A319-F321 HydrophobicContact CB-CE2 3.89Å; A319-L329 WeakPolarHBondContact CB-O 3.39Å | ||
| 320 | D | 97.4 | Very high | 95.1 | Very high | 55 Ų | 55 | 45.2 Ų | 45.2 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | trans | -109.1 | 88.1 | 173.6 | -174.4 | -6.7 | 0 | 0 | 0 | 108.8 | A64 K65 T68 K318 S322 | A64-D320 CarbonylContact C-O 3.56Å; A64-D320 VanDerWaalsContact CA-O 3.3Å; A64-D320 WeakPolarHBondContact CA-O 3.38Å; K65-D320 HydrophobicContact CB-CB 4.48Å; K65-D320 WeakPolarHBondContact CB-OD2 3.3Å; K65-D320 PolarHBondContact N-O 2.83Å; T68-D320 PolarHBondContact OG1-N 3.29Å; K318-D320 PolarHBondContact O-N 3.45Å; D320-S322 VanDerWaalsContact OD1-CB 3.29Å; D320-S322 WeakPolarHBondContact OD1-CB 3.36Å; D320-S322 PolarHBondContact OD1-N 3.29Å; D320-S322 PolarHBondContact OD1-OG 3.32Å | ||
| 321 | F | 97.2 | Very high | 95.1 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 2% | 0.022 | 26% | 0.262 | C | S | . | . | trans | -107.1 | 32.7 | 172.1 | -64.7 | -57.3 | 0 | 0 | 0 | 112 | V60 G63 A64 T68 M72 A313 A319 G323 M324 S325 L329 L331 | V60-F321 HydrophobicContact CG1-CD1 4.48Å; V60-F321 HydrophobicContact CG1-CE1 3.53Å; V60-F321 HydrophobicContact CG1-CZ 3.83Å; G63-F321 CarbonylContact O-C 3.53Å; G63-F321 WeakPolarHBondContact O-CA 3.48Å; A64-F321 HydrophobicContact CB-CD1 4.03Å; A64-F321 HydrophobicContact CB-CE1 3.93Å; T68-F321 HydrophobicContact CG2-CD1 4.46Å; T68-F321 HydrophobicContact CG2-CE1 3.81Å; T68-F321 HydrophobicContact CG2-CZ 3.89Å; M72-F321 HydrophobicContact SD-CE1 4.4Å; A313-F321 HydrophobicContact CB-CE2 4.43Å; A313-F321 HydrophobicContact CB-CZ 3.84Å; A313-F321 WeakPolarHBondContact O-CE2 3.27Å; A319-F321 HydrophobicContact CB-CD2 3.94Å; A319-F321 HydrophobicContact CB-CE2 3.89Å; F321-G323 PolarHBondContact O-N 3.36Å; F321-G323 VanDerWaalsContact O-N 3.07Å; F321-M324 HydrophobicContact CB-CB 4.38Å; F321-M324 HydrophobicContact CB-CG 4.13Å; F321-M324 HydrophobicContact CB-SD 4.05Å; F321-M324 HydrophobicContact CD1-CE 3.56Å; F321-M324 HydrophobicContact CD1-SD 4.01Å; F321-M324 HydrophobicContact CE1-CE 3.97Å; F321-M324 HydrophobicContact CG-CE 4.26Å; F321-M324 HydrophobicContact CG-SD 4.1Å; F321-M324 WeakPolarHBondContact O-CB 3.32Å; F321-M324 PolarHBondContact O-N 2.76Å; F321-S325 PolarHBondContact O-N 3.08Å; F321-L329 HydrophobicContact CB-CB 4.16Å; F321-L329 HydrophobicContact CD2-CB 4.26Å; F321-L329 WeakPolarHBondContact CD2-O 3.43Å; F321-L331 HydrophobicContact CE2-CG 4.22Å; F321-L331 HydrophobicContact CZ-CD1 4.38Å; F321-L331 HydrophobicContact CZ-CG 4.05Å | ||
| 322 | S | 96.5 | Very high | 95.1 | Very high | 66 Ų | 66 | 44.7 Ų | 44.7 | 46% | 0.462 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -17.6 | 176.2 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | K65 D320 M324 | K65-S322 WeakPolarHBondContact CG-OG 3.25Å; D320-S322 VanDerWaalsContact OD1-CB 3.29Å; D320-S322 WeakPolarHBondContact OD1-CB 3.36Å; D320-S322 PolarHBondContact OD1-N 3.29Å; D320-S322 PolarHBondContact OD1-OG 3.32Å; S322-M324 VanDerWaalsContact C-N 3.3Å |
| 323 | G | 95.6 | Very high | 94.9 | Very high | 20 Ų | 20 | 45 Ų | 45 | 21% | 0.206 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -9.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G63 F321 | G63-G323 WeakPolarHBondContact O-CA 3.41Å; G63-G323 PolarHBondContact O-N 3.5Å; F321-G323 PolarHBondContact O-N 3.36Å; F321-G323 VanDerWaalsContact O-N 3.07Å |
| 324 | M | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -41.7 | 178.1 | -57.6 | -172.1 | -178.5 | 0 | 0 | 113.2 | V60 F121 L122 F125 L180 F321 S322 L329 | V60-M324 VanDerWaalsContact CA-CE 3.44Å; V60-M324 HydrophobicContact CB-CE 4.12Å; V60-M324 HydrophobicContact CG1-CE 3.84Å; V60-M324 WeakPolarHBondContact O-CE 3.47Å; F121-M324 CarbonylContact C-O 3.48Å; F121-M324 WeakPolarHBondContact CA-O 3.19Å; F121-M324 HydrophobicContact CD1-CB 4.41Å; L122-M324 PolarHBondContact N-O 3.5Å; F125-M324 HydrophobicContact CD1-CB 4.2Å; F125-M324 HydrophobicContact CD1-CG 4.27Å; F125-M324 HydrophobicContact CD2-CG 4.06Å; F125-M324 HydrophobicContact CE1-CB 4.26Å; F125-M324 HydrophobicContact CE1-CG 3.96Å; F125-M324 HydrophobicContact CE1-SD 4.22Å; F125-M324 HydrophobicContact CE2-CE 4.14Å; F125-M324 HydrophobicContact CE2-CG 3.76Å; F125-M324 HydrophobicContact CE2-SD 4.44Å; F125-M324 HydrophobicContact CG-CB 4.35Å; F125-M324 HydrophobicContact CG-CG 4.32Å; F125-M324 HydrophobicContact CZ-CB 4.48Å; F125-M324 HydrophobicContact CZ-CE 3.86Å; F125-M324 HydrophobicContact CZ-CG 3.71Å; F125-M324 HydrophobicContact CZ-SD 3.9Å; L180-M324 HydrophobicContact CD2-SD 3.87Å; F321-M324 HydrophobicContact CB-CB 4.38Å; F321-M324 HydrophobicContact CB-CG 4.13Å; F321-M324 HydrophobicContact CB-SD 4.05Å; F321-M324 HydrophobicContact CD1-CE 3.56Å; F321-M324 HydrophobicContact CD1-SD 4.01Å; F321-M324 HydrophobicContact CE1-CE 3.97Å; F321-M324 HydrophobicContact CG-CE 4.26Å; F321-M324 HydrophobicContact CG-SD 4.1Å; F321-M324 WeakPolarHBondContact O-CB 3.32Å; F321-M324 PolarHBondContact O-N 2.76Å; S322-M324 VanDerWaalsContact C-N 3.3Å; M324-L329 HydrophobicContact CB-CD1 4.31Å |
| 325 | S | 95.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -148.8 | 153.5 | -168.9 | -178 | 0 | 0 | 0 | 0 | 111.1 | D120 F321 T327 | D120-S325 PolarHBondContact N-OG 3.37Å; D120-S325 WeakPolarHBondContact O-CA 3.49Å; D120-S325 PolarHBondContact O-OG 3.2Å; F321-S325 PolarHBondContact O-N 3.08Å; S325-T327 VanDerWaalsContact C-N 3.31Å; S325-T327 PolarHBondContact OG-N 3.11Å; S325-T327 PolarHBondContact OG-O 3.02Å |
| 326 | Q | 91.1 | Very high | 94.8 | Very high | 144 Ų | 144 | 42.2 Ų | 42.2 | 67% | 0.673 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -78.5 | -19.3 | 168.8 | -62.7 | -61.6 | -27.2 | 0 | 0 | 112.4 | D120 L122 | D120-Q326 HydrophobicContact CB-CB 4.37Å; D120-Q326 PolarHBondContact O-N 3.18Å; L122-Q326 HydrophobicContact CD2-CG 4Å |
| 327 | T | 92 | Very high | 95 | Very high | 52 Ų | 52 | 37.3 Ų | 37.3 | 32% | 0.319 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -85.6 | 142.9 | 173.8 | -40.1 | 0 | 0 | 0 | 0 | 110 | D120 S325 L329 | D120-T327 PolarHBondContact N-OG1 3Å; D120-T327 VanDerWaalsContact N-OG1 3.11Å; S325-T327 VanDerWaalsContact C-N 3.31Å; S325-T327 PolarHBondContact OG-N 3.11Å; S325-T327 PolarHBondContact OG-O 3.02Å; T327-L329 PolarHBondContact O-N 3Å |
| 328 | D | 91.4 | Very high | 95.1 | Very high | 129 Ų | 129 | 34 Ų | 34 | 69% | 0.69 | 19% | 0.187 | S | C | * | . | trans | -56.5 | 130.3 | 170.2 | -71.8 | -13.3 | 0 | 0 | 0 | 110.7 | ||||
| 329 | L | 94.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | trans | -133.6 | 149.4 | -175.7 | -78.4 | 176.8 | 0 | 0 | 0 | 110.2 | C119 F121 R179 A319 F321 M324 T327 | C119-L329 HydrophobicContact CB-CD2 3.88Å; C119-L329 WeakPolarHBondContact SG-CD2 3.49Å; F121-L329 HydrophobicContact CD1-CD1 4.12Å; F121-L329 HydrophobicContact CE1-CD1 3.36Å; F121-L329 HydrophobicContact CE1-CD2 4.47Å; F121-L329 HydrophobicContact CZ-CD1 4.02Å; F121-L329 HydrophobicContact CZ-CD2 4.32Å; R179-L329 HydrophobicContact CB-CD2 3.99Å; A319-L329 WeakPolarHBondContact CB-O 3.39Å; F321-L329 HydrophobicContact CB-CB 4.16Å; F321-L329 HydrophobicContact CD2-CB 4.26Å; F321-L329 WeakPolarHBondContact CD2-O 3.43Å; M324-L329 HydrophobicContact CB-CD1 4.31Å; T327-L329 PolarHBondContact O-N 3Å | ||
| 330 | S | 96 | Very high | 94.5 | Very high | 13 Ų | 13 | 27.8 Ų | 27.8 | 9% | 0.091 | 16% | 0.157 | C | C | . | . | trans | -134.7 | 156.1 | 161 | 61.8 | 0 | 0 | 0 | 0 | 109.2 | S332 | S330-S332 PolarHBondContact O-N 2.98Š| ||
| 331 | L | 96.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | trans | -65.1 | 115.8 | 166.1 | -80 | 176.6 | 0 | 0 | 0 | 108.1 | V60 L180 L182 A313 F314 F321 V334 | V60-L331 HydrophobicContact CG1-CD1 3.86Å; V60-L331 HydrophobicContact CG1-CD2 4.33Å; V60-L331 HydrophobicContact CG1-CG 4.22Å; V60-L331 HydrophobicContact CG2-CD2 4.16Å; L180-L331 HydrophobicContact CB-CD2 4.48Å; L180-L331 HydrophobicContact CD2-CD2 3.72Å; L180-L331 HydrophobicContact CD2-CG 4.45Å; L180-L331 HydrophobicContact CG-CD2 3.94Å; L182-L331 HydrophobicContact CB-CD2 4.45Å; A313-L331 HydrophobicContact CB-CD1 4.27Å; A313-L331 WeakPolarHBondContact O-CB 3.05Å; A313-L331 PolarHBondContact O-N 3.12Å; F314-L331 HydrophobicContact CD1-CB 3.76Å; F314-L331 WeakPolarHBondContact CD1-O 3.37Å; F314-L331 HydrophobicContact CE1-CB 3.9Å; F314-L331 HydrophobicContact CE1-CD1 4.18Å; F314-L331 HydrophobicContact CG-CB 4.46Å; F314-L331 HydrophobicContact CZ-CD1 4.24Å; F321-L331 HydrophobicContact CE2-CG 4.22Å; F321-L331 HydrophobicContact CZ-CD1 4.38Å; F321-L331 HydrophobicContact CZ-CG 4.05Å; L331-V334 HydrophobicContact CD1-CG2 3.84Å; L331-V334 HydrophobicContact CD2-CG2 4.35Å | ||
| 332 | S | 95.9 | Very high | 94.1 | Very high | 32 Ų | 32 | 27.1 Ų | 27.1 | 22% | 0.224 | 15% | 0.153 | C | C | . | . | trans | -85.3 | -29.2 | 174.3 | -48.1 | 0 | 0 | 0 | 0 | 111.2 | R179 L180 S330 | R179-S332 PolarHBondContact N-OG 2.94Å; L180-S332 PolarHBondContact N-OG 2.99Å; L180-S332 WeakPolarHBondContact O-CB 3.18Å; L180-S332 PolarHBondContact O-N 3.31Å; S330-S332 PolarHBondContact O-N 2.98Å | ||
| 333 | K | 94.8 | Very high | 94.1 | Very high | 26 Ų | 26 | 24.9 Ų | 24.9 | 11% | 0.113 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 144.3 | 179.5 | -158.7 | 163.6 | -162.6 | 154.3 | 0 | 113.6 | L169 S173 L180 V181 L182 D300 V335 | L169-K333 HydrophobicContact CD2-CD 4.22Å; S173-K333 VanDerWaalsContact CB-NZ 3.27Å; S173-K333 VanDerWaalsContact O-CD 3.3Å; S173-K333 WeakPolarHBondContact O-CD 3.49Å; S173-K333 PolarHBondContact O-NZ 2.72Å; L180-K333 PolarHBondContact O-N 2.85Å; V181-K333 WeakPolarHBondContact CA-O 3.43Å; V181-K333 HydrophobicContact CG1-CB 4.2Å; V181-K333 HydrophobicContact CG2-CB 4.18Å; L182-K333 PolarHBondContact N-O 3.04Å; D300-K333 WeakPolarHBondContact OD2-CE 3.2Å; D300-K333 IonicContact OD2-NZ 3.98Å; D300-K333 PolarHBondContact OD2-NZ 3.12Å; K333-V335 HydrophobicContact CD-CG2 3.78Å; K333-V335 HydrophobicContact CG-CG2 3.73Å |
| 334 | V | 96.4 | Very high | 94 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.03 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 116.5 | 168.3 | -177.6 | 0 | 0 | 0 | 0 | 107.8 | L57 L182 M301 L305 F314 L331 | L57-V334 HydrophobicContact CD2-CG1 4.46Å; L182-V334 HydrophobicContact CB-CG1 4.3Å; L182-V334 HydrophobicContact CB-CG2 4.15Å; L182-V334 HydrophobicContact CD2-CG1 3.94Å; L182-V334 HydrophobicContact CD2-CG2 4.42Å; L182-V334 HydrophobicContact CG-CG1 4.32Å; L182-V334 WeakPolarHBondContact O-CA 3.32Å; M301-V334 HydrophobicContact CB-CB 3.92Å; M301-V334 HydrophobicContact CB-CG1 3.71Å; M301-V334 WeakPolarHBondContact CB-O 3.39Å; M301-V334 HydrophobicContact CG-CG1 4.27Å; M301-V334 PolarHBondContact N-O 3.16Å; L305-V334 HydrophobicContact CD1-CB 4.35Å; L305-V334 HydrophobicContact CD1-CG1 4.2Å; L305-V334 HydrophobicContact CD1-CG2 4.33Å; F314-V334 HydrophobicContact CE1-CG2 3.79Å; F314-V334 HydrophobicContact CZ-CG2 4.01Å; L331-V334 HydrophobicContact CD1-CG2 3.84Å; L331-V334 HydrophobicContact CD2-CG2 4.35Å |
| 335 | V | 95.3 | Very high | 93.6 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 3% | 0.03 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 127 | 179.1 | -171.5 | 0 | 0 | 0 | 0 | 109.9 | L168 L169 L182 N184 K333 | L168-V335 HydrophobicContact CD1-CG1 3.77Å; L168-V335 HydrophobicContact CD2-CB 4.41Å; L168-V335 HydrophobicContact CD2-CG1 4.38Å; L168-V335 HydrophobicContact CG-CB 4.38Å; L168-V335 HydrophobicContact CG-CG1 3.85Å; L169-V335 HydrophobicContact CD2-CB 4.45Å; L169-V335 HydrophobicContact CD2-CG2 3.66Å; L182-V335 PolarHBondContact O-N 3.12Å; N184-V335 PolarHBondContact N-O 3.14Å; K333-V335 HydrophobicContact CD-CG2 3.78Å; K333-V335 HydrophobicContact CG-CG2 3.73Å |
| 336 | H | 95.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 129.8 | 169.5 | -178 | 55.7 | 0 | 0 | 0 | 110 | F48 S49 M53 N184 S298 Y299 M301 | F48-H336 WeakPolarHBondContact CA-NE2 3.44Å; F48-H336 VanDerWaalsContact CB-NE2 3.34Å; F48-H336 WeakPolarHBondContact CB-NE2 3.18Å; S49-H336 PolarHBondContact N-NE2 2.87Å; M53-H336 HydrophobicContact CE-CB 4.35Å; M53-H336 HydrophobicContact CG-CB 4.21Å; M53-H336 HydrophobicContact SD-CB 4.07Å; M53-H336 PolarHBondContact SD-CD2 3.25Å; M53-H336 VanDerWaalsContact SD-CG 3.59Å; N184-H336 CarbonylContact O-C 3.57Å; N184-H336 VanDerWaalsContact O-CA 3.28Å; N184-H336 WeakPolarHBondContact O-CA 3.47Å; N184-H336 PolarHBondContact O-ND1 3.45Å; N184-H336 PolarHBondContact OD1-CE1 3.18Å; N184-H336 PolarHBondContact OD1-ND1 3.14Å; S298-H336 CarbonylContact C-O 3.54Å; S298-H336 WeakPolarHBondContact CA-O 3.4Å; Y299-H336 AromaticContact CD2-CD2 3.95Å; Y299-H336 PolarHBondContact N-O 3.04Å; Y299-H336 PolarHBondContact O-N 2.94Å; M301-H336 HydrophobicContact CG-CB 3.93Å; M301-H336 HydrophobicContact SD-CB 4.38Å |
| 337 | K | 94.4 | Very high | 91.4 | Very high | 21 Ų | 21 | 18 Ų | 18 | 9% | 0.091 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 133.4 | 169.3 | -171.8 | 161.3 | 174.5 | 174.7 | 0 | 110.7 | I165 E167 L168 N184 A185 V186 E296 E297 | I165-K337 HydrophobicContact CD1-CB 4.36Å; I165-K337 HydrophobicContact CD1-CG 4.05Å; I165-K337 HydrophobicContact CG1-CG 4.39Å; I165-K337 HydrophobicContact CG2-CB 4.48Å; I165-K337 HydrophobicContact CG2-CD 3.6Å; I165-K337 HydrophobicContact CG2-CG 4.04Å; E167-K337 PolarHBondContact O-NZ 3.4Å; L168-K337 HydrophobicContact CD1-CB 3.28Å; L168-K337 HydrophobicContact CD1-CD 4.02Å; L168-K337 HydrophobicContact CD1-CG 4.24Å; N184-K337 PolarHBondContact O-N 3.45Å; A185-K337 VanDerWaalsContact CA-O 3.3Å; A185-K337 WeakPolarHBondContact CA-O 3.38Å; V186-K337 PolarHBondContact N-O 2.9Å; V186-K337 VanDerWaalsContact N-O 3.09Å; E296-K337 WeakPolarHBondContact OE1-CE 3.28Å; E296-K337 IonicContact OE1-NZ 3.6Å; E296-K337 PolarHBondContact OE1-NZ 3.03Å; E297-K337 WeakPolarHBondContact O-CA 3.27Å |
| 338 | S | 92.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 149.8 | -177.5 | 70.8 | 0 | 0 | 0 | 0 | 111.2 | F47 F48 E296 E297 | F47-S338 WeakPolarHBondContact CD1-OG 3.46Å; F47-S338 WeakPolarHBondContact CE1-OG 2.94Å; F47-S338 PolarHBondContact O-OG 3.21Å; F48-S338 WeakPolarHBondContact CA-OG 3.12Å; E296-S338 WeakPolarHBondContact CA-O 3.42Å; E297-S338 PolarHBondContact N-O 3.37Å; E297-S338 PolarHBondContact O-N 3.23Å |
| 339 | F | 90.3 | Very high | 86.4 | Confident | 2 Ų | 2 | 14.1 Ų | 14.1 | 1% | 0.009 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 132.1 | -177.2 | -179.1 | -77.2 | 0 | 0 | 0 | 110.1 | K164 V186 Y187 K294 L295 E296 E341 | K164-F339 HydrophobicContact CB-CG 4.5Å; K164-F339 HydrophobicContact CD-CE1 4.17Å; K164-F339 HydrophobicContact CD-CZ 4.06Å; V186-F339 PolarHBondContact O-N 2.99Å; Y187-F339 AromaticContact CD2-CD1 3.84Å; Y187-F339 HydrophobicContact CD2-CD1 3.84Å; Y187-F339 AromaticContact CE2-CD1 3.91Å; Y187-F339 HydrophobicContact CE2-CD1 3.91Å; Y187-F339 HydrophobicContact CE2-CE1 4.17Å; K294-F339 HydrophobicContact CD-CE2 4.28Å; K294-F339 HydrophobicContact CD-CZ 4.08Å; K294-F339 HydrophobicContact CG-CE2 4.32Å; K294-F339 HydrophobicContact CG-CZ 4.15Å; L295-F339 WeakPolarHBondContact O-CA 3.46Å; E296-F339 HydrophobicContact CB-CD2 4.07Å; E296-F339 HydrophobicContact CG-CD2 4.15Å; F339-E341 HydrophobicContact CE1-CB 3.92Å; F339-E341 HydrophobicContact CZ-CB 4.39Å |
| 340 | V | 90.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 146.6 | 168.6 | 65.7 | 0 | 0 | 0 | 0 | 110.4 | F47 F293 K294 L295 V342 T347 F376 | F47-V340 HydrophobicContact CD1-CB 4.24Å; F47-V340 HydrophobicContact CD1-CG1 3.7Å; F47-V340 HydrophobicContact CD2-CG1 3.87Å; F47-V340 HydrophobicContact CE1-CB 3.51Å; F47-V340 HydrophobicContact CE1-CG1 3.46Å; F47-V340 VanDerWaalsContact CE1-CG1 3.46Å; F47-V340 HydrophobicContact CE2-CB 4.02Å; F47-V340 HydrophobicContact CE2-CG1 3.61Å; F47-V340 HydrophobicContact CG-CG1 3.92Å; F47-V340 HydrophobicContact CZ-CB 3.38Å; F47-V340 HydrophobicContact CZ-CG1 3.41Å; F47-V340 VanDerWaalsContact CZ-CG1 3.41Å; F47-V340 HydrophobicContact CZ-CG2 4.2Å; F293-V340 HydrophobicContact CE2-CG1 4.47Å; K294-V340 CarbonylContact C-O 3.46Å; K294-V340 WeakPolarHBondContact CA-O 3.34Å; L295-V340 HydrophobicContact CB-CG1 3.96Å; L295-V340 PolarHBondContact N-O 3.32Å; L295-V340 PolarHBondContact O-N 3.19Å; V340-V342 HydrophobicContact CG2-CG2 4.18Å; V340-T347 HydrophobicContact CG2-CG2 3.74Å; V340-F376 HydrophobicContact CG1-CZ 4.37Å |
| 341 | E | 92.8 | Very high | 80 | Confident | 44 Ų | 44 | 20.3 Ų | 20.3 | 21% | 0.206 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 110.9 | 176.8 | 175.6 | 167.8 | -166.5 | 0 | 0 | 108.9 | K164 F293 K294 F339 T347 | K164-E341 IonicContact NZ-OE2 3.45Å; F293-E341 CarbonylContact O-C 3.49Å; F293-E341 WeakPolarHBondContact O-CA 3.22Å; K294-E341 HydrophobicContact CG-CB 4.42Å; F339-E341 HydrophobicContact CE1-CB 3.92Å; F339-E341 HydrophobicContact CZ-CB 4.39Å; E341-T347 WeakPolarHBondContact O-CA 3.42Å; E341-T347 WeakPolarHBondContact O-CB 3.3Å; E341-T347 WeakPolarHBondContact O-CG2 3.28Å |
| 342 | V | 95.1 | Very high | 76.9 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 123.8 | -179.2 | 174 | 0 | 0 | 0 | 0 | 109.9 | W192 M219 M249 L290 R292 F293 V340 T347 | W192-V342 HydrophobicContact CZ2-CG1 3.95Å; M219-V342 HydrophobicContact CE-CG1 4.02Å; M249-V342 HydrophobicContact CE-CG2 3.73Å; L290-V342 HydrophobicContact CD2-CG1 4.19Å; R292-V342 WeakPolarHBondContact CA-O 3.42Å; F293-V342 HydrophobicContact CD1-CB 4.11Å; F293-V342 HydrophobicContact CD1-CG1 4.46Å; F293-V342 HydrophobicContact CD2-CB 4.26Å; F293-V342 HydrophobicContact CD2-CG2 4.27Å; F293-V342 HydrophobicContact CE1-CB 3.8Å; F293-V342 HydrophobicContact CE1-CG1 3.98Å; F293-V342 HydrophobicContact CE1-CG2 3.98Å; F293-V342 HydrophobicContact CE2-CB 4Å; F293-V342 HydrophobicContact CE2-CG2 3.58Å; F293-V342 HydrophobicContact CG-CB 4.34Å; F293-V342 HydrophobicContact CZ-CB 3.76Å; F293-V342 HydrophobicContact CZ-CG1 4.27Å; F293-V342 HydrophobicContact CZ-CG2 3.41Å; F293-V342 VanDerWaalsContact CZ-CG2 3.41Å; F293-V342 PolarHBondContact N-O 2.82Å; F293-V342 VanDerWaalsContact N-O 3.14Å; F293-V342 PolarHBondContact O-N 3.16Å; V340-V342 HydrophobicContact CG2-CG2 4.18Å; V342-T347 HydrophobicContact CG2-CG2 4.18Å |
| 343 | N | 94.6 | Very high | 73.7 | Confident | 18 Ų | 18 | 30 Ų | 30 | 10% | 0.096 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -145.9 | -170.5 | 179.7 | 68.8 | 32 | 0 | 0 | 0 | 111.6 | W192 E345 G346 | W192-N343 PolarHBondContact NE1-O 3.07Å; N343-E345 VanDerWaalsContact C-N 3.28Å; N343-E345 PolarHBondContact O-N 3.16Å; N343-E345 PolarHBondContact OD1-N 3.37Å; N343-G346 PolarHBondContact N-O 3.49Å; N343-G346 PolarHBondContact O-N 3.05Å; N343-G346 PolarHBondContact OD1-N 3.42Å; N343-G346 PolarHBondContact OD1-O 3.12Å |
| 344 | E | 94.6 | Very high | 70.5 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -30 | -172.1 | -71.7 | 78.7 | -170.3 | 0 | 0 | 114.3 | W192 Q195 F196 K198 T201 M219 R292 G346 | W192-E344 VanDerWaalsContact CD1-O 3.29Å; Q195-E344 WeakPolarHBondContact CA-O 3.29Å; Q195-E344 WeakPolarHBondContact CB-O 3.31Å; F196-E344 HydrophobicContact CB-CB 3.87Å; F196-E344 HydrophobicContact CB-CG 3.78Å; F196-E344 PolarHBondContact N-O 3.24Å; F196-E344 WeakPolarHBondContact O-CB 3.41Å; K198-E344 HydrophobicContact CB-CG 4.44Å; K198-E344 HydrophobicContact CG-CB 3.9Å; K198-E344 HydrophobicContact CG-CG 3.7Å; T201-E344 WeakPolarHBondContact CB-OE1 3.11Å; T201-E344 WeakPolarHBondContact CG2-OE1 3.36Å; T201-E344 PolarHBondContact OG1-OE1 2.94Å; M219-E344 HydrophobicContact CG-CG 4.22Å; M219-E344 HydrophobicContact SD-CB 4.4Å; M219-E344 HydrophobicContact SD-CG 3.95Å; M219-E344 PolarHBondContact SD-N 3.03Å; R292-E344 VanDerWaalsContact CZ-CD 3.48Å; R292-E344 IonicContact CZ-OE1 3.16Å; R292-E344 IonicContact CZ-OE2 2.84Å; R292-E344 IonicContact NE-OE1 3.63Å; R292-E344 PolarHBondContact NE-OE1 3.09Å; R292-E344 IonicContact NE-OE2 2.98Å; R292-E344 PolarHBondContact NE-OE2 3.35Å; R292-E344 IonicContact NH2-OE1 3.47Å; R292-E344 PolarHBondContact NH2-OE1 2.91Å; R292-E344 IonicContact NH2-OE2 3.23Å; R292-E344 PolarHBondContact NH2-OE2 3.31Å; E344-G346 VanDerWaalsContact C-N 3.3Å |
| 345 | E | 86.5 | Confident | 67.3 | Low | 15 Ų | 15 | 37.9 Ų | 37.9 | 7% | 0.07 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -22.9 | -177.4 | -66.8 | 153.1 | 163.6 | 0 | 0 | 110.6 | N191 W192 K198 N343 A349 A350 | N191-E345 CarbonylContact C-O 3.6Å; N191-E345 WeakPolarHBondContact CA-O 3.47Å; N191-E345 WeakPolarHBondContact CB-O 3.4Å; W192-E345 PolarHBondContact N-O 3.34Å; K198-E345 WeakPolarHBondContact CE-OE1 3.37Å; K198-E345 IonicContact NZ-OE1 3.35Å; K198-E345 PolarHBondContact NZ-OE1 3.36Å; N343-E345 VanDerWaalsContact C-N 3.28Å; N343-E345 PolarHBondContact O-N 3.16Å; N343-E345 PolarHBondContact OD1-N 3.37Å; E345-A349 VanDerWaalsContact CD-CA 3.44Å; E345-A349 WeakPolarHBondContact OE2-CA 3.35Å; E345-A349 PolarHBondContact OE2-N 3.19Å; E345-A350 WeakPolarHBondContact OE1-CA 3.45Å |
| 346 | G | 77.1 | Confident | 64.1 | Low | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 136.6 | -124.2 | -167.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | G190 W192 N343 E344 | G190-G346 CarbonylContact O-C 3.53Å; G190-G346 WeakPolarHBondContact O-CA 3.4Å; W192-G346 VanDerWaalsContact NE1-CA 3.26Å; N343-G346 PolarHBondContact N-O 3.49Å; N343-G346 PolarHBondContact O-N 3.05Å; N343-G346 PolarHBondContact OD1-N 3.42Å; N343-G346 PolarHBondContact OD1-O 3.12Å; E344-G346 VanDerWaalsContact C-N 3.3Å |
| 347 | T | 64.4 | Low | 61.1 | Low | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.018 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 93.1 | 162.3 | 40.2 | 0 | 0 | 0 | 0 | 105.5 | F188 R189 G190 V340 E341 V342 | F188-T347 HydrophobicContact CD1-CG2 4.19Å; F188-T347 HydrophobicContact CE1-CG2 4.05Å; F188-T347 WeakPolarHBondContact CE1-OG1 3.48Å; R189-T347 WeakPolarHBondContact CA-OG1 3.2Å; R189-T347 WeakPolarHBondContact CG-O 3.28Å; G190-T347 PolarHBondContact N-O 3.37Å; G190-T347 PolarHBondContact N-OG1 3.46Å; G190-T347 PolarHBondContact O-N 3.11Å; G190-T347 PolarHBondContact O-OG1 3.44Å; V340-T347 HydrophobicContact CG2-CG2 3.74Å; E341-T347 WeakPolarHBondContact O-CA 3.42Å; E341-T347 WeakPolarHBondContact O-CB 3.3Å; E341-T347 WeakPolarHBondContact O-CG2 3.28Å; V342-T347 HydrophobicContact CG2-CG2 4.18Å |
| 348 | E | 38.5 | Very low | 58.1 | Low | 58 Ų | 58 | 60.5 Ų | 60.5 | 27% | 0.271 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 46 | 122.9 | -176 | -83.9 | -163.9 | 127.2 | 0 | 0 | 123.5 | K164 R189 N191 | K164-E348 IonicContact NZ-OE2 3.37Å; K164-E348 PolarHBondContact NZ-OE2 3.15Å; R189-E348 HydrophobicContact CG-CB 4.5Å; R189-E348 PolarHBondContact NE-O 3.04Å; R189-E348 PolarHBondContact NH2-O 2.9Å; N191-E348 PolarHBondContact OD1-O 2.95Å |
| 349 | A | 39.4 | Very low | 55.5 | Low | 43 Ų | 43 | 69.7 Ų | 69.7 | 36% | 0.355 | 43% | 0.428 | S | S | . | . | trans | 56.5 | 128.5 | 149.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | R189 E345 | R189-A349 PolarHBondContact NH2-O 2.8Å; E345-A349 VanDerWaalsContact CD-CA 3.44Å; E345-A349 WeakPolarHBondContact OE2-CA 3.35Å; E345-A349 PolarHBondContact OE2-N 3.19Å | ||
| 350 | A | 28.2 | Very low | 53 | Low | 65 Ų | 65 | 80.7 Ų | 80.7 | 54% | 0.537 | 47% | 0.469 | S | S | . | . | cis | -162.8 | 168.7 | -2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E345 | E345-A350 WeakPolarHBondContact OE1-CA 3.45Š| ||
| 351 | A | 28.3 | Very low | 50.6 | Low | 82 Ų | 82 | 86.6 Ų | 86.6 | 68% | 0.678 | 51% | 0.509 | S | S | * | . | trans | 100.7 | 132.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | Q195 | Q195-A351 PolarHBondContact OE1-O 3.18Š| ||
| 352 | A | 30.6 | Very low | 48.3 | Very low | 87 Ų | 87 | 90 Ų | 90 | 72% | 0.719 | 54% | 0.544 | S | S | * | . | trans | -97.5 | 159 | -158 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 353 | T | 28.8 | Very low | 46.6 | Very low | 148 Ų | 148 | 100.1 Ų | 100.1 | 91% | 0.908 | 58% | 0.582 | S | S | * | * | trans | -143.1 | 124.5 | 156.1 | -2.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 354 | A | 26.8 | Very low | 45.7 | Very low | 95 Ų | 95 | 108.4 Ų | 108.4 | 79% | 0.785 | 62% | 0.618 | S | S | * | * | trans | -74.3 | 143.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 355 | A | 29.5 | Very low | 45.2 | Very low | 102 Ų | 102 | 109.2 Ų | 109.2 | 84% | 0.843 | 62% | 0.623 | S | S | * | * | trans | -122.5 | 133.3 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 356 | I | 28.4 | Very low | 45.4 | Very low | 169 Ų | 169 | 109.9 Ų | 109.9 | 87% | 0.867 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 124.2 | -175.5 | -64 | 165.3 | 0 | 0 | 0 | 109.3 | ||
| 357 | M | 31.2 | Very low | 46.3 | Very low | 153 Ų | 153 | 118.4 Ų | 118.4 | 75% | 0.754 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 126.9 | 173.9 | -94.5 | -165.3 | 163.3 | 0 | 0 | 112.4 | ||
| 358 | M | 33.2 | Very low | 47.9 | Very low | 180 Ų | 180 | 118.4 Ų | 118.4 | 89% | 0.887 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 123.2 | 158.3 | -84.3 | -169.8 | 177.8 | 0 | 0 | 109.3 | ||
| 359 | M | 36.5 | Very low | 50.7 | Low | 193 Ų | 193 | 117.7 Ų | 117.7 | 95% | 0.951 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 126.8 | 173.5 | -84.5 | -147.8 | -110.8 | 0 | 0 | 112.2 | ||
| 360 | R | 37.6 | Very low | 53.5 | Low | 234 Ų | 234 | 115.6 Ų | 115.6 | 88% | 0.883 | 65% | 0.645 | S | S | * | * | trans | -139 | 142.6 | 153.4 | -69.3 | -169.4 | 177.4 | -175 | 0.2 | 109.5 | ||||
| 361 | C | 40.9 | Very low | 56.8 | Low | 124 Ų | 124 | 113.8 Ų | 113.8 | 84% | 0.838 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 6.9 | 122.3 | 176.1 | -59.7 | 0 | 0 | 0 | 0 | 117.6 | R363 | C361-R363 PolarHBondContact O-N 3.3Š|
| 362 | A | 45.1 | Very low | 60.1 | Low | 114 Ų | 114 | 110.9 Ų | 110.9 | 94% | 0.942 | 60% | 0.598 | S | S | * | * | trans | -56.4 | 91.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 363 | R | 58.4 | Low | 63.3 | Low | 215 Ų | 215 | 107.9 Ų | 107.9 | 81% | 0.811 | 57% | 0.571 | S | S | * | * | trans | -66.5 | 137.8 | 156.5 | -88.3 | 178.6 | 169.6 | 169.8 | -5 | 107.3 | C361 V365 | C361-R363 PolarHBondContact O-N 3.3Å; R363-V365 PolarHBondContact O-N 3.04Å | ||
| 364 | F | 75.6 | Confident | 66.5 | Low | 193 Ų | 193 | 100.8 Ų | 100.8 | 85% | 0.846 | 53% | 0.528 | S | S | * | . | trans | -67.4 | 103.9 | 167 | -176.4 | -91.5 | 0 | 0 | 0 | 107.2 | P366 | F364-P366 WeakPolarHBondContact O-CD 3.42Š| ||
| 365 | V | 84.2 | Confident | 69.9 | Low | 21 Ų | 21 | 96.3 Ų | 96.3 | 13% | 0.127 | 49% | 0.491 | C | S | . | . | trans | -83.9 | 122 | 174.9 | -176 | 0 | 0 | 0 | 0 | 107.3 | Q222 E285 E287 R363 | Q222-V365 HydrophobicContact CG-CG1 4.35Å; E285-V365 HydrophobicContact CG-CG1 4.12Å; E287-V365 HydrophobicContact CG-CB 4.34Å; E287-V365 HydrophobicContact CG-CG1 3.95Å; R363-V365 PolarHBondContact O-N 3.04Å | ||
| 366 | P | 91.3 | Very high | 73.2 | Confident | 29 Ų | 29 | 91.4 Ų | 91.4 | 19% | 0.188 | 45% | 0.45 | C | S | . | . | trans | -59 | 148.7 | 176 | -25.6 | 35.4 | 0 | 0 | 0 | 112.5 | E285 V286 E287 F364 | E285-P366 WeakPolarHBondContact O-CD 3.45Å; V286-P366 WeakPolarHBondContact CA-O 3.31Å; V286-P366 WeakPolarHBondContact CG1-O 3.26Å; E287-P366 PolarHBondContact N-O 3.49Å; F364-P366 WeakPolarHBondContact O-CD 3.42Å | ||
| 367 | R | 94.9 | Very high | 76.5 | Confident | 178 Ų | 178 | 83.4 Ų | 83.4 | 67% | 0.672 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 135.4 | -179.4 | -68 | 178.9 | 174.2 | 165.3 | 2.6 | 111.2 | Q236 E287 | Q236-R367 PolarHBondContact OE1-O 2.89Å; E287-R367 HydrophobicContact CB-CG 4.03Å; E287-R367 WeakPolarHBondContact O-CA 3.34Å; E287-R367 VanDerWaalsContact OE2-CG 3.31Å; E287-R367 WeakPolarHBondContact OE2-CG 3.49Å; E287-R367 IonicContact OE2-CZ 2.74Å; E287-R367 IonicContact OE2-NE 3.64Å; E287-R367 PolarHBondContact OE2-NE 3.42Å; E287-R367 IonicContact OE2-NH2 2.7Å |
| 368 | F | 97.9 | Very high | 79.6 | Confident | 4 Ų | 4 | 76.1 Ų | 76.1 | 2% | 0.018 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 105.1 | 165.1 | -174.4 | -85 | 0 | 0 | 0 | 107.9 | Q236 L238 I251 L253 V286 E287 V288 S289 A370 | Q236-F368 HydrophobicContact CB-CD2 3.95Å; Q236-F368 HydrophobicContact CB-CE2 3.77Å; L238-F368 HydrophobicContact CB-CD1 4.15Å; L238-F368 HydrophobicContact CB-CD2 3.75Å; L238-F368 HydrophobicContact CB-CE1 3.98Å; L238-F368 HydrophobicContact CB-CE2 3.56Å; L238-F368 HydrophobicContact CB-CG 4.03Å; L238-F368 HydrophobicContact CB-CZ 3.68Å; L238-F368 HydrophobicContact CD2-CB 4.26Å; L238-F368 HydrophobicContact CD2-CD1 3.51Å; L238-F368 HydrophobicContact CD2-CD2 4.4Å; L238-F368 HydrophobicContact CD2-CE1 3.86Å; L238-F368 HydrophobicContact CD2-CG 3.8Å; L238-F368 HydrophobicContact CD2-CZ 4.43Å; L238-F368 HydrophobicContact CG-CD1 4.44Å; L238-F368 HydrophobicContact CG-CG 4.41Å; I251-F368 HydrophobicContact CB-CE1 4.21Å; I251-F368 HydrophobicContact CB-CZ 3.89Å; I251-F368 HydrophobicContact CD1-CE1 4.41Å; I251-F368 HydrophobicContact CG2-CE1 3.94Å; I251-F368 HydrophobicContact CG2-CZ 3.67Å; L253-F368 HydrophobicContact CB-CE1 4.44Å; L253-F368 HydrophobicContact CB-CE2 3.8Å; L253-F368 HydrophobicContact CB-CZ 3.58Å; L253-F368 HydrophobicContact CD2-CD1 4.49Å; L253-F368 HydrophobicContact CD2-CD2 4.43Å; L253-F368 HydrophobicContact CD2-CE1 4.18Å; L253-F368 HydrophobicContact CD2-CE2 4.12Å; L253-F368 HydrophobicContact CD2-CZ 3.99Å; L253-F368 HydrophobicContact CG-CZ 4.44Å; V286-F368 HydrophobicContact CG1-CB 3.94Å; E287-F368 PolarHBondContact O-N 3.19Å; V288-F368 WeakPolarHBondContact CA-O 3.3Å; V288-F368 HydrophobicContact CG1-CD1 4.47Å; S289-F368 PolarHBondContact N-O 3.04Å; F368-A370 HydrophobicContact CE1-CB 4.17Å |
| 369 | C | 98.1 | Very high | 82.6 | Confident | 42 Ų | 42 | 67.9 Ų | 67.9 | 28% | 0.284 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 98.2 | -173.9 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | L253 D371 | L253-C369 VanDerWaalsContact CD2-O 3.26Å; L253-C369 WeakPolarHBondContact CD2-O 3.49Å; C369-D371 PolarHBondContact O-N 3.29Å |
| 370 | A | 98.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -80.3 | 60 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L253 S289 L290 P291 F368 F374 | L253-A370 HydrophobicContact CD1-CB 4.38Å; L253-A370 HydrophobicContact CD2-CB 4.49Å; S289-A370 PolarHBondContact O-N 3.46Å; L290-A370 HydrophobicContact CD1-CB 4.22Å; P291-A370 WeakPolarHBondContact CD-O 3.39Å; F368-A370 HydrophobicContact CE1-CB 4.17Å; A370-F374 HydrophobicContact CB-CD1 3.84Å; A370-F374 HydrophobicContact CB-CE1 3.84Å | ||
| 371 | D | 97.4 | Very high | 87.7 | Confident | 27 Ų | 27 | 49.4 Ų | 49.4 | 14% | 0.144 | 26% | 0.258 | C | S | . | . | trans | -97.5 | 14.8 | -177.3 | 71.2 | -16.4 | 0 | 0 | 0 | 113.9 | F206 K207 M218 C369 | F206-D371 CarbonylContact C-O 3.57Å; F206-D371 VanDerWaalsContact CA-O 3.27Å; F206-D371 WeakPolarHBondContact CA-O 3.35Å; F206-D371 VanDerWaalsContact CD2-C 3.44Å; K207-D371 PolarHBondContact N-O 3.3Å; K207-D371 IonicContact NZ-OD2 3.21Å; M218-D371 HydrophobicContact CE-CB 3.98Å; C369-D371 PolarHBondContact O-N 3.29Å | ||
| 372 | H | 97 | Very high | 89.8 | Confident | 20 Ų | 20 | 49.9 Ų | 49.9 | 9% | 0.093 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -155.7 | 169.9 | 178.4 | 59.7 | -85.8 | 0 | 0 | 0 | 109.7 | F206 K207 L253 P254 F374 | F206-H372 WeakPolarHBondContact CZ-O 3.29Å; K207-H372 HydrophobicContact CB-CB 4.04Å; L253-H372 WeakPolarHBondContact CD1-NE2 3.45Å; P254-H372 PolarHBondContact O-NE2 2.89Å; H372-F374 VanDerWaalsContact O-CD1 3.32Å; H372-F374 WeakPolarHBondContact O-CD1 3.33Å; H372-F374 PolarHBondContact O-N 3.29Å |
| 373 | P | 97.2 | Very high | 91.7 | Very high | 24 Ų | 24 | 44.8 Ų | 44.8 | 16% | 0.156 | 20% | 0.203 | C | C | . | . | trans | -52.7 | 131.5 | -170.2 | -31.2 | 34.8 | 0 | 0 | 0 | 115 | F206 K207 L260 F392 | F206-P373 HydrophobicContact CE1-CG 4.38Å; K207-P373 WeakPolarHBondContact O-CD 3.42Å; L260-P373 HydrophobicContact CD2-CB 3.92Å; P373-F392 WeakPolarHBondContact CA-O 3.24Å | ||
| 374 | F | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 159.9 | -178.8 | 59.5 | -98.9 | 0 | 0 | 0 | 112 | F206 I251 M252 L253 L290 P291 F293 A370 H372 F376 R391 F392 | F206-F374 HydrophobicContact CE2-CD1 4.47Å; F206-F374 HydrophobicContact CE2-CE1 4.17Å; I251-F374 HydrophobicContact CG2-CB 4.24Å; I251-F374 HydrophobicContact CG2-CD2 3.71Å; I251-F374 HydrophobicContact CG2-CE2 4.28Å; I251-F374 HydrophobicContact CG2-CG 4.05Å; M252-F374 WeakPolarHBondContact O-CB 3.35Å; L253-F374 HydrophobicContact CD1-CB 3.85Å; L253-F374 HydrophobicContact CD1-CD1 4.47Å; L290-F374 HydrophobicContact CD1-CZ 4.15Å; P291-F374 HydrophobicContact CG-CE1 3.93Å; P291-F374 HydrophobicContact CG-CZ 4.17Å; F293-F374 HydrophobicContact CE1-CE2 4.39Å; F293-F374 AromaticContact CE1-CZ 3.98Å; F293-F374 HydrophobicContact CE1-CZ 3.98Å; A370-F374 HydrophobicContact CB-CD1 3.84Å; A370-F374 HydrophobicContact CB-CE1 3.84Å; H372-F374 VanDerWaalsContact O-CD1 3.32Å; H372-F374 WeakPolarHBondContact O-CD1 3.33Å; H372-F374 PolarHBondContact O-N 3.29Å; F374-F376 HydrophobicContact CD2-CB 4.32Å; F374-F376 HydrophobicContact CD2-CD1 4.32Å; F374-F376 HydrophobicContact CE2-CB 4.25Å; F374-F376 AromaticContact CE2-CD1 3.93Å; F374-F376 HydrophobicContact CE2-CD1 3.93Å; F374-F376 HydrophobicContact CE2-CG 4.43Å; F374-R391 WeakPolarHBondContact O-CA 3.46Å; F374-F392 HydrophobicContact CD1-CB 4.5Å; F374-F392 HydrophobicContact CD1-CD1 4.37Å; F374-F392 HydrophobicContact CD2-CB 4.25Å; F374-F392 HydrophobicContact CE1-CB 4.03Å; F374-F392 AromaticContact CE1-CD1 3.52Å; F374-F392 HydrophobicContact CE1-CD1 3.52Å; F374-F392 HydrophobicContact CE1-CE1 4.4Å; F374-F392 HydrophobicContact CE1-CG 4.17Å; F374-F392 HydrophobicContact CE2-CB 3.75Å; F374-F392 HydrophobicContact CE2-CG 4.49Å; F374-F392 HydrophobicContact CZ-CB 3.62Å; F374-F392 AromaticContact CZ-CD1 3.66Å; F374-F392 HydrophobicContact CZ-CD1 3.66Å; F374-F392 AromaticContact CZ-CG 3.9Å; F374-F392 HydrophobicContact CZ-CG 3.9Å; F374-F392 PolarHBondContact N-O 2.83Å; F374-F392 VanDerWaalsContact N-O 3.1Å; F374-F392 PolarHBondContact O-N 3.48Å |
| 375 | L | 98.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 147.2 | 165.7 | -57.8 | 179.9 | 0 | 0 | 0 | 109.6 | L35 I251 M252 L260 V263 E264 L267 F377 G390 R391 | L35-L375 HydrophobicContact CD2-CD1 4.19Å; L35-L375 HydrophobicContact CD2-CD2 4.19Å; I251-L375 WeakPolarHBondContact CA-O 3.47Å; M252-L375 HydrophobicContact CB-CB 4.28Å; M252-L375 PolarHBondContact N-O 2.93Å; M252-L375 PolarHBondContact O-N 2.86Å; L260-L375 HydrophobicContact CD1-CD2 4.43Å; L260-L375 HydrophobicContact CD1-CG 3.99Å; L260-L375 HydrophobicContact CD2-CD2 4.15Å; L260-L375 HydrophobicContact CG-CD2 4.33Å; L260-L375 HydrophobicContact CG-CG 4.39Å; V263-L375 HydrophobicContact CG1-CD1 4.05Å; E264-L375 HydrophobicContact CG-CD1 3.95Å; E264-L375 HydrophobicContact CG-CD2 4.02Å; E264-L375 HydrophobicContact CG-CG 4.47Å; L267-L375 HydrophobicContact CD2-CD1 4.03Å; L375-F377 HydrophobicContact CB-CE2 3.83Å; L375-F377 HydrophobicContact CB-CZ 4.23Å; L375-F377 HydrophobicContact CD1-CE2 4.43Å; L375-F377 HydrophobicContact CD1-CZ 4.24Å; L375-G390 CarbonylContact C-O 3.54Å; L375-G390 WeakPolarHBondContact CA-O 3.19Å; L375-R391 HydrophobicContact CD2-CB 3.77Å; L375-R391 HydrophobicContact CD2-CG 4.07Å |
| 376 | F | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 150.1 | 169.7 | 70.8 | -84.2 | 0 | 0 | 0 | 111.5 | F47 M249 I250 I251 F293 L295 V340 F374 G390 F392 | F47-F376 AromaticContact CD2-CE2 3.88Å; F47-F376 HydrophobicContact CD2-CE2 3.88Å; F47-F376 AromaticContact CD2-CZ 3.57Å; F47-F376 HydrophobicContact CD2-CZ 3.57Å; F47-F376 AromaticContact CE2-CE2 3.74Å; F47-F376 HydrophobicContact CE2-CE2 3.74Å; F47-F376 AromaticContact CE2-CZ 3.92Å; F47-F376 HydrophobicContact CE2-CZ 3.92Å; M249-F376 HydrophobicContact CE-CD2 4.02Å; M249-F376 HydrophobicContact CE-CE2 4.45Å; I250-F376 CarbonylContact O-C 3.19Å; I250-F376 WeakPolarHBondContact O-CA 3.32Å; I251-F376 HydrophobicContact CG1-CB 4.45Å; F293-F376 HydrophobicContact CE2-CE1 4.09Å; F293-F376 HydrophobicContact CE2-CE2 4.43Å; F293-F376 AromaticContact CE2-CZ 3.91Å; F293-F376 HydrophobicContact CE2-CZ 3.91Å; F293-F376 HydrophobicContact CZ-CD1 4.42Å; F293-F376 HydrophobicContact CZ-CE1 4.19Å; F293-F376 HydrophobicContact CZ-CZ 4.24Å; L295-F376 HydrophobicContact CD1-CE1 3.94Å; L295-F376 HydrophobicContact CD1-CZ 3.92Å; V340-F376 HydrophobicContact CG1-CZ 4.37Å; F374-F376 HydrophobicContact CD2-CB 4.32Å; F374-F376 HydrophobicContact CD2-CD1 4.32Å; F374-F376 HydrophobicContact CE2-CB 4.25Å; F374-F376 AromaticContact CE2-CD1 3.93Å; F374-F376 HydrophobicContact CE2-CD1 3.93Å; F374-F376 HydrophobicContact CE2-CG 4.43Å; F376-G390 PolarHBondContact N-O 3.07Å; F376-G390 PolarHBondContact O-N 3.43Å; F376-F392 HydrophobicContact CE1-CB 4.48Å |
| 377 | F | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 142.5 | -179.3 | -56.1 | -93.3 | 0 | 0 | 0 | 109.1 | L32 L35 M249 I250 M252 L267 F272 L375 I386 F388 C389 | L32-F377 HydrophobicContact CD2-CE1 3.97Å; L32-F377 HydrophobicContact CD2-CZ 4.29Å; L35-F377 HydrophobicContact CD2-CE1 4.3Å; L35-F377 HydrophobicContact CD2-CZ 4.17Å; M249-F377 CarbonylContact C-O 3.59Å; M249-F377 VanDerWaalsContact CA-O 3.3Å; M249-F377 WeakPolarHBondContact CA-O 3.2Å; I250-F377 HydrophobicContact CB-CB 4.42Å; I250-F377 PolarHBondContact N-O 2.94Å; I250-F377 PolarHBondContact O-N 2.62Å; M252-F377 HydrophobicContact CE-CD2 4.41Å; M252-F377 HydrophobicContact CE-CE2 4.05Å; M252-F377 HydrophobicContact CG-CE2 4.22Å; M252-F377 HydrophobicContact SD-CE2 3.77Å; L267-F377 HydrophobicContact CD2-CE2 4.3Å; L267-F377 HydrophobicContact CD2-CZ 3.65Å; F272-F377 HydrophobicContact CD2-CE1 4.49Å; F272-F377 HydrophobicContact CD2-CE2 4.43Å; F272-F377 HydrophobicContact CD2-CZ 4.41Å; F272-F377 HydrophobicContact CE2-CB 4.18Å; F272-F377 AromaticContact CE2-CD1 3.83Å; F272-F377 HydrophobicContact CE2-CD1 3.83Å; F272-F377 AromaticContact CE2-CD2 3.66Å; F272-F377 HydrophobicContact CE2-CD2 3.66Å; F272-F377 HydrophobicContact CE2-CE1 4.11Å; F272-F377 AromaticContact CE2-CE2 3.96Å; F272-F377 HydrophobicContact CE2-CE2 3.96Å; F272-F377 AromaticContact CE2-CG 3.6Å; F272-F377 HydrophobicContact CE2-CG 3.6Å; F272-F377 HydrophobicContact CE2-CZ 4.17Å; F272-F377 HydrophobicContact CZ-CB 4.2Å; F272-F377 HydrophobicContact CZ-CD1 4.35Å; F272-F377 HydrophobicContact CZ-CD2 4.48Å; F272-F377 HydrophobicContact CZ-CG 4.09Å; L375-F377 HydrophobicContact CB-CE2 3.83Å; L375-F377 HydrophobicContact CB-CZ 4.23Å; L375-F377 HydrophobicContact CD1-CE2 4.43Å; L375-F377 HydrophobicContact CD1-CZ 4.24Å; F377-I386 HydrophobicContact CD1-CG2 4.07Å; F377-F388 VanDerWaalsContact CA-O 3.32Å; F377-F388 WeakPolarHBondContact CA-O 3.23Å; F377-C389 HydrophobicContact CD1-CB 4.28Å; F377-C389 HydrophobicContact CE1-CB 4.26Å |
| 378 | I | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 115.2 | 167.3 | -58.1 | 175 | 0 | 0 | 0 | 106.7 | F188 Y242 L247 N248 M249 L387 F388 | F188-I378 HydrophobicContact CD1-CD1 3.65Å; F188-I378 HydrophobicContact CE1-CD1 3.67Å; F188-I378 HydrophobicContact CG-CD1 4.48Å; F188-I378 HydrophobicContact CZ-CG2 4.41Å; Y242-I378 HydrophobicContact CE2-CG2 4.35Å; L247-I378 HydrophobicContact CD1-CG2 4.43Å; N248-I378 WeakPolarHBondContact O-CA 3.46Å; M249-I378 HydrophobicContact CE-CD1 4.35Å; M249-I378 HydrophobicContact CE-CG1 4.26Å; I378-L387 WeakPolarHBondContact O-CA 3.41Å; I378-L387 WeakPolarHBondContact O-CB 3.29Å; I378-L387 PolarHBondContact O-N 3.32Å; I378-F388 HydrophobicContact CB-CB 4.06Å; I378-F388 HydrophobicContact CB-CD2 3.98Å; I378-F388 HydrophobicContact CB-CG 4.49Å; I378-F388 HydrophobicContact CD1-CB 4.22Å; I378-F388 HydrophobicContact CD1-CD2 4.01Å; I378-F388 HydrophobicContact CD1-CG 4.3Å; I378-F388 HydrophobicContact CG1-CB 4.26Å; I378-F388 HydrophobicContact CG1-CD2 4.49Å; I378-F388 HydrophobicContact CG2-CD2 4.31Å; I378-F388 PolarHBondContact N-O 3.26Å; I378-F388 PolarHBondContact O-N 3.27Å |
| 379 | Q | 95.1 | Very high | 94.4 | Very high | 7 Ų | 7 | 18.6 Ų | 18.6 | 3% | 0.033 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 138.8 | -174.7 | -170.3 | -174.2 | 41.8 | 0 | 0 | 110.4 | L247 N248 I250 N384 G385 | L247-Q379 VanDerWaalsContact CA-O 3.31Å; L247-Q379 WeakPolarHBondContact CA-O 3.4Å; N248-Q379 PolarHBondContact N-O 2.85Å; N248-Q379 PolarHBondContact O-N 3.35Å; I250-Q379 HydrophobicContact CD1-CB 4.11Å; Q379-N384 PolarHBondContact NE2-O 2.98Å; Q379-G385 WeakPolarHBondContact CA-O 3.46Å |
| 380 | H | 92.1 | Very high | 94.3 | Very high | 6 Ų | 6 | 16.6 Ų | 16.6 | 3% | 0.028 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 117.2 | 171.9 | -179.5 | -110.6 | 0 | 0 | 0 | 110.9 | E246 L247 K382 T383 N384 G385 L387 | E246-H380 PolarHBondContact O-CD2 3.29Å; L247-H380 HydrophobicContact CD2-CB 3.83Å; H380-K382 VanDerWaalsContact C-N 3.31Å; H380-K382 PolarHBondContact O-N 3.23Å; H380-T383 PolarHBondContact ND1-N 3.46Å; H380-T383 PolarHBondContact ND1-OG1 3.34Å; H380-T383 PolarHBondContact O-N 3.48Å; H380-N384 VanDerWaalsContact O-CA 3.26Å; H380-N384 WeakPolarHBondContact O-CA 3.3Å; H380-N384 PolarHBondContact O-N 3.24Å; H380-G385 PolarHBondContact N-O 2.9Å; H380-L387 HydrophobicContact CB-CD1 4.16Å; H380-L387 HydrophobicContact CB-CD2 4.35Å; H380-L387 HydrophobicContact CB-CG 4.18Å |
| 381 | S | 88.8 | Confident | 94.3 | Very high | 34 Ų | 34 | 16.7 Ų | 16.7 | 24% | 0.238 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -29.9 | -166.5 | -48.4 | 0 | 0 | 0 | 0 | 113.3 | K245 E246 N248 N384 | K245-S381 PolarHBondContact O-OG 3.43Å; E246-S381 PolarHBondContact O-N 3.45Å; E246-S381 PolarHBondContact O-OG 2.86Å; N248-S381 PolarHBondContact ND2-OG 3.44Å; S381-N384 PolarHBondContact O-OD1 3.17Å |
| 382 | K | 85.8 | Confident | 94.2 | Very high | 134 Ų | 134 | 15.5 Ų | 15.5 | 58% | 0.583 | 8% | 0.081 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -35.1 | -179.4 | -172.6 | -172.4 | -176.8 | -172.8 | 0 | 113.1 | E97 H380 | E97-K382 HydrophobicContact CG-CD 4.23Å; E97-K382 VanDerWaalsContact OE1-CD 3.28Å; E97-K382 WeakPolarHBondContact OE1-CD 3.35Å; E97-K382 IonicContact OE1-NZ 3.64Å; E97-K382 PolarHBondContact OE1-NZ 3.2Å; E97-K382 IonicContact OE2-NZ 3.04Å; E97-K382 PolarHBondContact OE2-NZ 3.39Å; H380-K382 VanDerWaalsContact C-N 3.31Å; H380-K382 PolarHBondContact O-N 3.23Å |
| 383 | T | 84.2 | Confident | 94.1 | Very high | 6 Ų | 6 | 14.7 Ų | 14.7 | 4% | 0.037 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -5.2 | -176.6 | 60.7 | 0 | 0 | 0 | 0 | 112.8 | M20 L94 H380 G385 | M20-T383 HydrophobicContact SD-CG2 4.12Å; L94-T383 HydrophobicContact CD1-CG2 4.12Å; H380-T383 PolarHBondContact ND1-N 3.46Å; H380-T383 PolarHBondContact ND1-OG1 3.34Å; H380-T383 PolarHBondContact O-N 3.48Å; T383-G385 PolarHBondContact O-N 2.94Å; T383-G385 PolarHBondContact OG1-N 2.98Å |
| 384 | N | 86 | Confident | 93.6 | Very high | 80 Ų | 80 | 14.7 Ų | 14.7 | 43% | 0.428 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 13.7 | -168.7 | -60.3 | -42.7 | 0 | 0 | 0 | 114.1 | Q379 H380 S381 | Q379-N384 PolarHBondContact NE2-O 2.98Å; H380-N384 VanDerWaalsContact O-CA 3.26Å; H380-N384 WeakPolarHBondContact O-CA 3.3Å; H380-N384 PolarHBondContact O-N 3.24Å; S381-N384 PolarHBondContact O-OD1 3.17Å |
| 385 | G | 90.3 | Very high | 93 | Very high | 7 Ų | 7 | 18.4 Ų | 18.4 | 7% | 0.072 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 130.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q379 H380 T383 L387 | Q379-G385 WeakPolarHBondContact CA-O 3.46Å; H380-G385 PolarHBondContact N-O 2.9Å; T383-G385 PolarHBondContact O-N 2.94Å; T383-G385 PolarHBondContact OG1-N 2.98Å; G385-L387 PolarHBondContact O-N 2.98Å |
| 386 | I | 95.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 112.6 | 172.3 | -53.8 | 177.9 | 0 | 0 | 0 | 108.6 | N27 A31 P50 F272 F377 F388 C389 | N27-I386 PolarHBondContact ND2-O 3.01Å; A31-I386 HydrophobicContact CB-CD1 4.47Å; P50-I386 HydrophobicContact CG-CB 4.45Å; P50-I386 HydrophobicContact CG-CG2 4.03Å; F272-I386 HydrophobicContact CD1-CD1 3.94Å; F272-I386 HydrophobicContact CD1-CG1 4.48Å; F272-I386 HydrophobicContact CE1-CD1 3.69Å; F272-I386 HydrophobicContact CE1-CG1 3.82Å; F272-I386 HydrophobicContact CE2-CD1 4.3Å; F272-I386 HydrophobicContact CG-CD1 4.36Å; F272-I386 HydrophobicContact CZ-CD1 3.9Å; F272-I386 HydrophobicContact CZ-CG1 4.05Å; F377-I386 HydrophobicContact CD1-CG2 4.07Å; I386-F388 WeakPolarHBondContact CG2-O 3.32Å; I386-C389 VanDerWaalsContact CG2-SG 3.52Å |
| 387 | L | 94.6 | Very high | 92.4 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -39.9 | 177.6 | -60.2 | -172.9 | 0 | 0 | 0 | 111.6 | S49 P50 M51 V98 L107 L247 I378 H380 G385 | S49-L387 VanDerWaalsContact CA-O 3.29Å; S49-L387 WeakPolarHBondContact CA-O 3.49Å; S49-L387 VanDerWaalsContact CB-O 3.31Å; S49-L387 WeakPolarHBondContact CB-O 3.42Å; S49-L387 PolarHBondContact OG-O 3.47Å; P50-L387 WeakPolarHBondContact CD-O 3.49Å; M51-L387 HydrophobicContact CB-CD2 4.26Å; M51-L387 HydrophobicContact CG-CD2 4.08Å; V98-L387 HydrophobicContact CG1-CD2 4.39Å; L107-L387 HydrophobicContact CD2-CD1 4.5Å; L247-L387 HydrophobicContact CD1-CD1 4.46Å; L247-L387 HydrophobicContact CD2-CD1 3.51Å; I378-L387 WeakPolarHBondContact O-CA 3.41Å; I378-L387 WeakPolarHBondContact O-CB 3.29Å; I378-L387 PolarHBondContact O-N 3.32Å; H380-L387 HydrophobicContact CB-CD1 4.16Å; H380-L387 HydrophobicContact CB-CD2 4.35Å; H380-L387 HydrophobicContact CB-CG 4.18Å; G385-L387 PolarHBondContact O-N 2.98Å |
| 388 | F | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 144.8 | 179.2 | -62.2 | -92.3 | 0 | 0 | 0 | 111.2 | F47 F48 L107 V186 F188 F377 I378 I386 | F47-F388 AromaticContact CE1-CD1 3.98Å; F47-F388 HydrophobicContact CE1-CD1 3.98Å; F47-F388 HydrophobicContact CE1-CE1 4.34Å; F47-F388 HydrophobicContact CE2-CB 3.74Å; F47-F388 AromaticContact CE2-CD1 3.85Å; F47-F388 HydrophobicContact CE2-CD1 3.85Å; F47-F388 HydrophobicContact CE2-CG 4.11Å; F47-F388 HydrophobicContact CZ-CB 4.01Å; F47-F388 AromaticContact CZ-CD1 3.24Å; F47-F388 HydrophobicContact CZ-CD1 3.24Å; F47-F388 AromaticContact CZ-CE1 3.91Å; F47-F388 HydrophobicContact CZ-CE1 3.91Å; F47-F388 AromaticContact CZ-CG 3.84Å; F47-F388 HydrophobicContact CZ-CG 3.84Å; F48-F388 WeakPolarHBondContact O-CA 3.12Å; L107-F388 HydrophobicContact CD1-CE2 3.81Å; L107-F388 HydrophobicContact CD1-CZ 3.77Å; V186-F388 HydrophobicContact CB-CE1 4.43Å; V186-F388 HydrophobicContact CG1-CE1 3.81Å; V186-F388 HydrophobicContact CG1-CZ 4.47Å; V186-F388 HydrophobicContact CG2-CE1 3.77Å; V186-F388 HydrophobicContact CG2-CZ 3.55Å; F188-F388 HydrophobicContact CB-CD2 4.45Å; F188-F388 HydrophobicContact CB-CE1 4.3Å; F188-F388 HydrophobicContact CB-CE2 3.53Å; F188-F388 HydrophobicContact CB-CZ 3.43Å; F188-F388 VanDerWaalsContact CB-CZ 3.43Å; F188-F388 HydrophobicContact CD2-CE2 4.27Å; F188-F388 AromaticContact CG-CE2 3.9Å; F188-F388 HydrophobicContact CG-CE2 3.9Å; F188-F388 HydrophobicContact CG-CZ 4.3Å; F377-F388 VanDerWaalsContact CA-O 3.32Å; F377-F388 WeakPolarHBondContact CA-O 3.23Å; I378-F388 HydrophobicContact CB-CB 4.06Å; I378-F388 HydrophobicContact CB-CD2 3.98Å; I378-F388 HydrophobicContact CB-CG 4.49Å; I378-F388 HydrophobicContact CD1-CB 4.22Å; I378-F388 HydrophobicContact CD1-CD2 4.01Å; I378-F388 HydrophobicContact CD1-CG 4.3Å; I378-F388 HydrophobicContact CG1-CB 4.26Å; I378-F388 HydrophobicContact CG1-CD2 4.49Å; I378-F388 HydrophobicContact CG2-CD2 4.31Å; I378-F388 PolarHBondContact N-O 3.26Å; I378-F388 PolarHBondContact O-N 3.27Å; I386-F388 WeakPolarHBondContact CG2-O 3.32Å |
| 389 | C | 97.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 139.3 | 169.1 | -66.6 | 0 | 0 | 0 | 0 | 108.6 | F47 F48 F377 I386 | F47-C389 WeakPolarHBondContact CA-O 3.43Å; F47-C389 WeakPolarHBondContact CD2-O 3.24Å; F48-C389 HydrophobicContact CD1-CB 4.39Å; F48-C389 HydrophobicContact CE1-CB 3.79Å; F48-C389 HydrophobicContact CE2-CB 4.15Å; F48-C389 HydrophobicContact CZ-CB 3.65Å; F48-C389 PolarHBondContact N-O 2.93Å; F48-C389 PolarHBondContact O-N 3.28Å; F377-C389 HydrophobicContact CD1-CB 4.28Å; F377-C389 HydrophobicContact CE1-CB 4.26Å; I386-C389 VanDerWaalsContact CG2-SG 3.52Å |
| 390 | G | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 156.6 | 171 | 0 | 0 | 0 | 0 | 0 | 113.9 | V46 L375 F376 | V46-G390 CarbonylContact O-C 3.17Å; V46-G390 WeakPolarHBondContact O-CA 3.47Å; L375-G390 CarbonylContact C-O 3.54Å; L375-G390 WeakPolarHBondContact CA-O 3.19Å; F376-G390 PolarHBondContact N-O 3.07Å; F376-G390 PolarHBondContact O-N 3.43Å |
| 391 | R | 96.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.2 | 167.4 | 173.3 | 167.6 | 61.8 | 89 | 2.1 | 107.1 | D41 N42 K44 N45 V46 L260 E264 F374 L375 S393 | D41-R391 PolarHBondContact O-NH2 3.05Å; N42-R391 PolarHBondContact O-NH1 3.29Å; K44-R391 PolarHBondContact O-NH1 2.79Å; K44-R391 PolarHBondContact O-NH2 3.09Å; N45-R391 WeakPolarHBondContact CA-O 3.46Å; V46-R391 HydrophobicContact CB-CB 4.13Å; V46-R391 PolarHBondContact N-O 3.04Å; V46-R391 PolarHBondContact O-N 3.17Å; L260-R391 HydrophobicContact CD2-CG 3.73Å; E264-R391 VanDerWaalsContact OE1-CD 3.31Å; E264-R391 WeakPolarHBondContact OE1-CD 3.19Å; E264-R391 IonicContact OE1-NE 2.65Å; E264-R391 PolarHBondContact OE1-NE 3.42Å; F374-R391 WeakPolarHBondContact O-CA 3.46Å; L375-R391 HydrophobicContact CD2-CB 3.77Å; L375-R391 HydrophobicContact CD2-CG 4.07Å; R391-S393 VanDerWaalsContact CG-OG 3.24Å; R391-S393 WeakPolarHBondContact CG-OG 3.49Å; R391-S393 PolarHBondContact NH1-OG 2.72Å |
| 392 | F | 96.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 114.2 | 172.3 | -171.5 | -109.1 | 0 | 0 | 0 | 107.8 | F206 P291 F293 L295 P373 F374 F376 P395 | F206-F392 HydrophobicContact CD2-CE1 4.13Å; F206-F392 HydrophobicContact CE1-CE1 4.39Å; F206-F392 AromaticContact CE2-CD1 3.73Å; F206-F392 HydrophobicContact CE2-CD1 3.73Å; F206-F392 AromaticContact CE2-CE1 3.62Å; F206-F392 HydrophobicContact CE2-CE1 3.62Å; F206-F392 AromaticContact CZ-CD1 3.63Å; F206-F392 HydrophobicContact CZ-CD1 3.63Å; F206-F392 AromaticContact CZ-CE1 3.75Å; F206-F392 HydrophobicContact CZ-CE1 3.75Å; P291-F392 HydrophobicContact CB-CE1 4.23Å; P291-F392 HydrophobicContact CG-CD1 4.21Å; P291-F392 HydrophobicContact CG-CE1 3.77Å; F293-F392 HydrophobicContact CB-CD2 4Å; F293-F392 HydrophobicContact CB-CE2 3.34Å; F293-F392 HydrophobicContact CB-CZ 3.68Å; F293-F392 HydrophobicContact CD1-CD2 4.37Å; F293-F392 HydrophobicContact CD1-CE2 4.36Å; F293-F392 HydrophobicContact CD1-CZ 4.49Å; F293-F392 HydrophobicContact CD2-CD2 4.21Å; F293-F392 HydrophobicContact CD2-CE2 4.39Å; F293-F392 AromaticContact CG-CD2 3.96Å; F293-F392 HydrophobicContact CG-CD2 3.96Å; F293-F392 AromaticContact CG-CE2 3.82Å; F293-F392 HydrophobicContact CG-CE2 3.82Å; F293-F392 HydrophobicContact CG-CZ 4.28Å; L295-F392 HydrophobicContact CD1-CD2 4.44Å; L295-F392 HydrophobicContact CD2-CD2 4.18Å; L295-F392 HydrophobicContact CD2-CE2 4.42Å; P373-F392 WeakPolarHBondContact CA-O 3.24Å; F374-F392 HydrophobicContact CD1-CB 4.5Å; F374-F392 HydrophobicContact CD1-CD1 4.37Å; F374-F392 HydrophobicContact CD2-CB 4.25Å; F374-F392 HydrophobicContact CE1-CB 4.03Å; F374-F392 AromaticContact CE1-CD1 3.52Å; F374-F392 HydrophobicContact CE1-CD1 3.52Å; F374-F392 HydrophobicContact CE1-CE1 4.4Å; F374-F392 HydrophobicContact CE1-CG 4.17Å; F374-F392 HydrophobicContact CE2-CB 3.75Å; F374-F392 HydrophobicContact CE2-CG 4.49Å; F374-F392 HydrophobicContact CZ-CB 3.62Å; F374-F392 AromaticContact CZ-CD1 3.66Å; F374-F392 HydrophobicContact CZ-CD1 3.66Å; F374-F392 AromaticContact CZ-CG 3.9Å; F374-F392 HydrophobicContact CZ-CG 3.9Å; F374-F392 PolarHBondContact N-O 2.83Å; F374-F392 VanDerWaalsContact N-O 3.1Å; F374-F392 PolarHBondContact O-N 3.48Å; F376-F392 HydrophobicContact CE1-CB 4.48Å; F392-P395 HydrophobicContact CE1-CB 4.45Å; F392-P395 HydrophobicContact CE1-CG 4.05Å; F392-P395 VanDerWaalsContact CZ-CA 3.5Å; F392-P395 HydrophobicContact CZ-CB 3.81Å; F392-P395 HydrophobicContact CZ-CG 3.9Å |
| 393 | S | 93.5 | Very high | 92.3 | Very high | 4 Ų | 4 | 15.8 Ų | 15.8 | 3% | 0.028 | 10% | 0.098 | C | C | . | . | trans | -127.8 | -30.1 | -176.2 | -63.6 | 0 | 0 | 0 | 0 | 113.2 | N45 R391 | N45-S393 PolarHBondContact OD1-N 2.88Å; R391-S393 VanDerWaalsContact CG-OG 3.24Å; R391-S393 WeakPolarHBondContact CG-OG 3.49Å; R391-S393 PolarHBondContact NH1-OG 2.72Å | ||
| 394 | S | 87.9 | Confident | 93 | Very high | 23 Ų | 23 | 16.7 Ų | 16.7 | 16% | 0.161 | 10% | 0.103 | C | C | . | . | trans | -131.7 | 122.3 | 171.5 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | N45 K214 | N45-S394 PolarHBondContact ND2-O 2.96Å; N45-S394 PolarHBondContact OD1-N 3.25Å; N45-S394 PolarHBondContact OD1-O 3.07Å; K214-S394 PolarHBondContact NZ-OG 2.68Å | ||
| 395 | P | 84.4 | Confident | 93.6 | Very high | 79 Ų | 79 | 10.9 Ų | 10.9 | 51% | 0.513 | 7% | 0.073 | S | C | . | . | trans | -62.1 | 0 | 167.5 | -15.2 | 27.6 | 0 | 0 | 0 | 114 | F206 K214 V216 F392 | F206-P395 HydrophobicContact CB-CG 3.83Å; F206-P395 HydrophobicContact CD1-CG 3.61Å; F206-P395 HydrophobicContact CD2-CG 4.35Å; F206-P395 HydrophobicContact CE1-CG 4.24Å; F206-P395 HydrophobicContact CG-CG 3.67Å; K214-P395 HydrophobicContact CB-CG 4.5Å; V216-P395 HydrophobicContact CG1-CB 3.27Å; V216-P395 HydrophobicContact CG1-CG 3.21Å; F392-P395 HydrophobicContact CE1-CB 4.45Å; F392-P395 HydrophobicContact CE1-CG 4.05Å; F392-P395 VanDerWaalsContact CZ-CA 3.5Å; F392-P395 HydrophobicContact CZ-CB 3.81Å; F392-P395 HydrophobicContact CZ-CG 3.9Å |
Retrieved 395 of 395 residues in 308.8 ms
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