| 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 | 51.2 | Low | 60.2 | Low | 243 Ų | 243 | 126.9 Ų | 126.9 | 100% | 1.197 | 66% | 0.656 | S | S | * | * | 0 | 146.6 | 0 | -73.4 | 150.9 | 160.4 | 0 | 0 | 108 | |||||
| 2 | R | 49.8 | Very low | 61.3 | Low | 213 Ų | 213 | 125.3 Ų | 125.3 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | trans | -81.2 | 139.8 | 167.4 | -75.3 | -177.4 | 176.1 | 147.3 | -1.6 | 108.7 | D4 | R2-D4 PolarHBondContact O-N 2.73Š| ||
| 3 | P | 56.7 | Low | 62.3 | Low | 95 Ų | 95 | 119.1 Ų | 119.1 | 62% | 0.617 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -71.2 | -19.8 | 178.6 | 30.1 | -35.2 | 0 | 0 | 0 | 112.9 | D5 I6 | P3-D5 VanDerWaalsContact C-N 3.26Å; P3-D5 PolarHBondContact O-N 3.35Å; P3-I6 WeakPolarHBondContact O-CG1 3.23Å; P3-I6 PolarHBondContact O-N 3.35Å |
| 4 | D | 54.5 | Low | 63.4 | Low | 138 Ų | 138 | 116.9 Ų | 116.9 | 74% | 0.738 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -76.6 | -6.5 | -168.4 | -39.7 | -86.5 | 0 | 0 | 0 | 114.5 | R2 | R2-D4 PolarHBondContact O-N 2.73Š|
| 5 | D | 55.2 | Low | 64.2 | Low | 137 Ų | 137 | 112.3 Ų | 112.3 | 73% | 0.733 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -98.8 | 10.4 | -179.4 | -158.4 | 21.2 | 0 | 0 | 0 | 112.6 | P3 N7 | P3-D5 VanDerWaalsContact C-N 3.26Å; P3-D5 PolarHBondContact O-N 3.35Å; D5-N7 PolarHBondContact O-N 2.66Å |
| 6 | I | 60.7 | Low | 64.6 | Low | 112 Ų | 112 | 110.4 Ų | 110.4 | 57% | 0.574 | 59% | 0.588 | S | S | * | * | trans | -73.6 | 101.2 | 172.3 | -62.4 | 174.6 | 0 | 0 | 0 | 108.5 | P3 | P3-I6 WeakPolarHBondContact O-CG1 3.23Å; P3-I6 PolarHBondContact O-N 3.35Å | ||
| 7 | N | 64.4 | Low | 65.2 | Low | 97 Ų | 97 | 106.7 Ų | 106.7 | 52% | 0.519 | 57% | 0.571 | S | S | . | * | trans | -43.5 | 121.5 | 171.2 | -94.7 | -101.3 | 0 | 0 | 0 | 110.6 | D5 R9 T10 G11 | D5-N7 PolarHBondContact O-N 2.66Å; N7-R9 PolarHBondContact O-N 3.48Å; N7-R9 VanDerWaalsContact O-N 3.1Å; N7-T10 WeakPolarHBondContact O-CA 3.3Å; N7-T10 VanDerWaalsContact O-CB 3.31Å; N7-T10 WeakPolarHBondContact O-CB 3.4Å; N7-T10 PolarHBondContact O-N 3.45Å; N7-G11 PolarHBondContact O-N 3.29Å; N7-G11 VanDerWaalsContact O-N 3.08Å | ||
| 8 | P | 62.3 | Low | 65.9 | Low | 108 Ų | 108 | 104.1 Ų | 104.1 | 70% | 0.701 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.8 | -24.2 | -170.8 | 22.9 | -33.5 | 0 | 0 | 0 | 112.8 | G11 L12 | P8-G11 PolarHBondContact O-N 3.13Å; P8-L12 WeakPolarHBondContact O-CB 3.43Å; P8-L12 PolarHBondContact O-N 3.26Å |
| 9 | R | 65.7 | Low | 66.6 | Low | 143 Ų | 143 | 102.4 Ų | 102.4 | 54% | 0.54 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.5 | -41.3 | 169.5 | -67.5 | 177.4 | 168.9 | -146.7 | -12 | 112.1 | N7 V13 E64 G65 | N7-R9 PolarHBondContact O-N 3.48Å; N7-R9 VanDerWaalsContact O-N 3.1Å; R9-V13 WeakPolarHBondContact O-CB 3.43Å; R9-V13 VanDerWaalsContact O-CG2 3.31Å; R9-V13 WeakPolarHBondContact O-CG2 3.16Å; R9-V13 PolarHBondContact O-N 3.18Å; R9-E64 PolarHBondContact NH1-O 3.08Å; R9-G65 PolarHBondContact NH1-O 3.33Å; R9-G65 VanDerWaalsContact NH1-O 3.08Å; R9-G65 PolarHBondContact NH2-O 3.48Å |
| 10 | T | 69.1 | Low | 66.8 | Low | 81 Ų | 81 | 100.6 Ų | 100.6 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.9 | -43.4 | 175.5 | -51.7 | 0 | 0 | 0 | 0 | 110.8 | N7 L12 V13 V14 | N7-T10 WeakPolarHBondContact O-CA 3.3Å; N7-T10 VanDerWaalsContact O-CB 3.31Å; N7-T10 WeakPolarHBondContact O-CB 3.4Å; N7-T10 PolarHBondContact O-N 3.45Å; T10-L12 PolarHBondContact O-N 3.46Å; T10-V13 PolarHBondContact O-N 3.24Å; T10-V14 HydrophobicContact CG2-CG2 4.45Å; T10-V14 WeakPolarHBondContact O-CB 3.39Å; T10-V14 VanDerWaalsContact O-CG2 3.32Å; T10-V14 WeakPolarHBondContact O-CG2 3.29Å; T10-V14 PolarHBondContact O-N 3.33Å |
| 11 | G | 72.9 | Confident | 67.1 | Low | 29 Ų | 29 | 100.6 Ų | 100.6 | 30% | 0.299 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -57.6 | -47.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N7 P8 V14 A15 | N7-G11 PolarHBondContact O-N 3.29Å; N7-G11 VanDerWaalsContact O-N 3.08Å; P8-G11 PolarHBondContact O-N 3.13Å; G11-V14 PolarHBondContact O-N 3.18Å; G11-A15 WeakPolarHBondContact O-CB 3.05Å; G11-A15 PolarHBondContact O-N 3.23Å |
| 12 | L | 73 | Confident | 68.3 | Low | 108 Ų | 108 | 93 Ų | 93 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.8 | -44.5 | 176.4 | -178.7 | 65.5 | 0 | 0 | 0 | 112.4 | P8 T10 A15 L16 | P8-L12 WeakPolarHBondContact O-CB 3.43Å; P8-L12 PolarHBondContact O-N 3.26Å; T10-L12 PolarHBondContact O-N 3.46Å; L12-A15 PolarHBondContact O-N 2.94Å; L12-L16 HydrophobicContact CD1-CD1 4.3Å; L12-L16 HydrophobicContact CD1-CG 4.46Å; L12-L16 HydrophobicContact CG-CD1 4.18Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 3.39Å |
| 13 | V | 75.1 | Confident | 69.4 | Low | 44 Ų | 44 | 88.4 Ų | 88.4 | 27% | 0.267 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 176.3 | 163.5 | 0 | 0 | 0 | 0 | 111 | R9 T10 L16 V17 I57 | R9-V13 WeakPolarHBondContact O-CB 3.43Å; R9-V13 VanDerWaalsContact O-CG2 3.31Å; R9-V13 WeakPolarHBondContact O-CG2 3.16Å; R9-V13 PolarHBondContact O-N 3.18Å; T10-V13 PolarHBondContact O-N 3.24Å; V13-L16 PolarHBondContact O-N 2.91Å; V13-V17 HydrophobicContact CG1-CG2 4.37Å; V13-V17 WeakPolarHBondContact O-CB 3.38Å; V13-V17 WeakPolarHBondContact O-CG2 3.23Å; V13-V17 PolarHBondContact O-N 2.96Å; V13-I57 HydrophobicContact CG1-CG1 4.34Å; V13-I57 HydrophobicContact CG1-CG2 3.95Å |
| 14 | V | 77.3 | Confident | 70.2 | Confident | 89 Ų | 89 | 84 Ų | 84 | 54% | 0.539 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.1 | -37.6 | 178.4 | 171.1 | 0 | 0 | 0 | 0 | 111.8 | T10 G11 V17 S18 | T10-V14 HydrophobicContact CG2-CG2 4.45Å; T10-V14 WeakPolarHBondContact O-CB 3.39Å; T10-V14 VanDerWaalsContact O-CG2 3.32Å; T10-V14 WeakPolarHBondContact O-CG2 3.29Å; T10-V14 PolarHBondContact O-N 3.33Å; G11-V14 PolarHBondContact O-N 3.18Å; V14-V17 PolarHBondContact O-N 2.94Å; V14-S18 WeakPolarHBondContact O-CB 3.3Å; V14-S18 PolarHBondContact O-N 3.46Å; V14-S18 PolarHBondContact O-OG 2.92Å |
| 15 | A | 74.6 | Confident | 71 | Confident | 48 Ų | 48 | 84.2 Ų | 84.2 | 40% | 0.397 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G11 L12 S18 V19 | G11-A15 WeakPolarHBondContact O-CB 3.05Å; G11-A15 PolarHBondContact O-N 3.23Å; L12-A15 PolarHBondContact O-N 2.94Å; A15-S18 PolarHBondContact O-N 3.45Å; A15-S18 PolarHBondContact O-OG 3.38Å; A15-V19 WeakPolarHBondContact O-CG2 3.36Å; A15-V19 PolarHBondContact O-N 2.8Å; A15-V19 VanDerWaalsContact O-N 3.13Å |
| 16 | L | 71.7 | Confident | 71.9 | Confident | 81 Ų | 81 | 83.4 Ų | 83.4 | 42% | 0.424 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 174.1 | -69.3 | 170.8 | 0 | 0 | 0 | 111.2 | L12 V13 S18 V19 F20 | L12-L16 HydrophobicContact CD1-CD1 4.3Å; L12-L16 HydrophobicContact CD1-CG 4.46Å; L12-L16 HydrophobicContact CG-CD1 4.18Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 3.39Å; V13-L16 PolarHBondContact O-N 2.91Å; L16-S18 PolarHBondContact O-N 2.83Å; L16-V19 PolarHBondContact O-N 3.38Å; L16-F20 WeakPolarHBondContact O-CD2 3.31Å; L16-F20 PolarHBondContact O-N 3.39Å |
| 17 | V | 74.8 | Confident | 72.3 | Confident | 48 Ų | 48 | 81.1 Ų | 81.1 | 29% | 0.291 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -54.3 | -49.8 | 172.4 | 165.9 | 0 | 0 | 0 | 0 | 111.1 | V13 V14 V19 F20 L21 I57 | V13-V17 HydrophobicContact CG1-CG2 4.37Å; V13-V17 WeakPolarHBondContact O-CB 3.38Å; V13-V17 WeakPolarHBondContact O-CG2 3.23Å; V13-V17 PolarHBondContact O-N 2.96Å; V14-V17 PolarHBondContact O-N 2.94Å; V17-V19 PolarHBondContact O-N 2.8Å; V17-F20 PolarHBondContact O-N 3.31Å; V17-L21 HydrophobicContact CG1-CD1 3.55Å; V17-L21 HydrophobicContact CG1-CG 4.11Å; V17-L21 VanDerWaalsContact O-CB 3.3Å; V17-L21 WeakPolarHBondContact O-CB 3.3Å; V17-L21 VanDerWaalsContact O-CG 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.26Å; V17-L21 PolarHBondContact O-N 2.93Å; V17-I57 HydrophobicContact CG2-CD1 3.29Å; V17-I57 HydrophobicContact CG2-CG1 4.22Å |
| 18 | S | 78.2 | Confident | 72.3 | Confident | 59 Ų | 59 | 78.3 Ų | 78.3 | 41% | 0.413 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | -175.7 | 65.8 | 0 | 0 | 0 | 0 | 111.9 | V14 A15 L16 V22 | V14-S18 WeakPolarHBondContact O-CB 3.3Å; V14-S18 PolarHBondContact O-N 3.46Å; V14-S18 PolarHBondContact O-OG 2.92Å; A15-S18 PolarHBondContact O-N 3.45Å; A15-S18 PolarHBondContact O-OG 3.38Å; L16-S18 PolarHBondContact O-N 2.83Å; S18-V22 VanDerWaalsContact O-CB 3.31Å; S18-V22 WeakPolarHBondContact O-CB 3.22Å; S18-V22 VanDerWaalsContact O-CG2 3.22Å; S18-V22 WeakPolarHBondContact O-CG2 3.49Å; S18-V22 PolarHBondContact O-N 3.09Å |
| 19 | V | 78.1 | Confident | 72.6 | Confident | 73 Ų | 73 | 76.5 Ų | 76.5 | 44% | 0.442 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.6 | -52.4 | 174.3 | 171.7 | 0 | 0 | 0 | 0 | 111 | A15 L16 V17 L21 V22 F23 | A15-V19 WeakPolarHBondContact O-CG2 3.36Å; A15-V19 PolarHBondContact O-N 2.8Å; A15-V19 VanDerWaalsContact O-N 3.13Å; L16-V19 PolarHBondContact O-N 3.38Å; V17-V19 PolarHBondContact O-N 2.8Å; V19-L21 PolarHBondContact O-N 3.49Å; V19-V22 PolarHBondContact O-N 3Å; V19-F23 HydrophobicContact CG1-CD2 3.85Å; V19-F23 HydrophobicContact CG1-CE2 4.05Å; V19-F23 WeakPolarHBondContact O-CD2 3.3Å; V19-F23 PolarHBondContact O-N 3.42Å |
| 20 | F | 71.1 | Confident | 72.5 | Confident | 65 Ų | 65 | 71.7 Ų | 71.7 | 29% | 0.285 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 179.9 | -75.3 | -63 | 0 | 0 | 0 | 112.6 | L16 V17 G24 I49 C50 | L16-F20 WeakPolarHBondContact O-CD2 3.31Å; L16-F20 PolarHBondContact O-N 3.39Å; V17-F20 PolarHBondContact O-N 3.31Å; F20-G24 WeakPolarHBondContact O-CA 3.5Å; F20-G24 PolarHBondContact O-N 2.66Å; F20-I49 HydrophobicContact CD1-CG2 4.06Å; F20-I49 WeakPolarHBondContact CD1-O 3.31Å; F20-I49 HydrophobicContact CE1-CG2 4.43Å; F20-C50 PolarHBondContact O-SG 3.46Å; F20-C50 VanDerWaalsContact O-SG 3.36Å |
| 21 | L | 72.6 | Confident | 72.1 | Confident | 101 Ų | 101 | 68.4 Ų | 68.4 | 53% | 0.529 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.3 | -39.9 | 177.3 | -72 | -179.2 | 0 | 0 | 0 | 112.6 | V17 V19 F25 | V17-L21 HydrophobicContact CG1-CD1 3.55Å; V17-L21 HydrophobicContact CG1-CG 4.11Å; V17-L21 VanDerWaalsContact O-CB 3.3Å; V17-L21 WeakPolarHBondContact O-CB 3.3Å; V17-L21 VanDerWaalsContact O-CG 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.26Å; V17-L21 PolarHBondContact O-N 2.93Å; V19-L21 PolarHBondContact O-N 3.49Å; L21-F25 WeakPolarHBondContact O-CB 3.47Å; L21-F25 PolarHBondContact O-N 3.25Å |
| 22 | V | 77.4 | Confident | 71.4 | Confident | 83 Ų | 83 | 74.2 Ų | 74.2 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.8 | -51.5 | 178.2 | 168.5 | 0 | 0 | 0 | 0 | 110.6 | S18 V19 F25 M26 | S18-V22 VanDerWaalsContact O-CB 3.31Å; S18-V22 WeakPolarHBondContact O-CB 3.22Å; S18-V22 VanDerWaalsContact O-CG2 3.22Å; S18-V22 WeakPolarHBondContact O-CG2 3.49Å; S18-V22 PolarHBondContact O-N 3.09Å; V19-V22 PolarHBondContact O-N 3Å; V22-F25 PolarHBondContact O-N 3.16Å; V22-M26 HydrophobicContact CG1-SD 4.49Å; V22-M26 WeakPolarHBondContact O-CG 3.09Å; V22-M26 PolarHBondContact O-N 2.87Å |
| 23 | F | 72.3 | Confident | 70.9 | Confident | 117 Ų | 117 | 76.5 Ų | 76.5 | 51% | 0.513 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 178.3 | -78.8 | -71.4 | 0 | 0 | 0 | 112.1 | V19 F25 M26 F27 | V19-F23 HydrophobicContact CG1-CD2 3.85Å; V19-F23 HydrophobicContact CG1-CE2 4.05Å; V19-F23 WeakPolarHBondContact O-CD2 3.3Å; V19-F23 PolarHBondContact O-N 3.42Å; F23-F25 VanDerWaalsContact C-N 3.33Å; F23-F25 PolarHBondContact O-N 3.03Å; F23-M26 PolarHBondContact O-N 3.33Å; F23-F27 VanDerWaalsContact O-CD2 3.3Å; F23-F27 WeakPolarHBondContact O-CD2 3.43Å; F23-F27 PolarHBondContact O-N 2.73Å |
| 24 | G | 72.6 | Confident | 70 | Confident | 4 Ų | 4 | 77 Ų | 77 | 4% | 0.041 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.2 | -37.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F20 T28 | F20-G24 WeakPolarHBondContact O-CA 3.5Å; F20-G24 PolarHBondContact O-N 2.66Å; G24-T28 WeakPolarHBondContact O-CB 3.46Å; G24-T28 WeakPolarHBondContact O-CG2 3.45Å; G24-T28 PolarHBondContact O-N 3.13Å; G24-T28 PolarHBondContact O-OG1 3.05Å |
| 25 | F | 73.1 | Confident | 69 | Low | 141 Ų | 141 | 76.4 Ų | 76.4 | 62% | 0.618 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.6 | -46.3 | 173.5 | -177.2 | -108.5 | 0 | 0 | 0 | 111.6 | L21 V22 F23 F27 T28 V29 | L21-F25 WeakPolarHBondContact O-CB 3.47Å; L21-F25 PolarHBondContact O-N 3.25Å; V22-F25 PolarHBondContact O-N 3.16Å; F23-F25 VanDerWaalsContact C-N 3.33Å; F23-F25 PolarHBondContact O-N 3.03Å; F25-F27 PolarHBondContact O-N 2.86Å; F25-T28 WeakPolarHBondContact CA-OG1 3.03Å; F25-T28 PolarHBondContact O-N 2.99Å; F25-T28 PolarHBondContact O-OG1 3.45Å; F25-T28 VanDerWaalsContact O-OG1 3.09Å; F25-V29 HydrophobicContact CD1-CG2 4.19Å; F25-V29 HydrophobicContact CD2-CG2 4.07Å; F25-V29 HydrophobicContact CE1-CG2 3.84Å; F25-V29 HydrophobicContact CE2-CG2 3.71Å; F25-V29 HydrophobicContact CG-CG2 4.3Å; F25-V29 HydrophobicContact CZ-CG2 3.58Å; F25-V29 WeakPolarHBondContact O-CB 3.38Å; F25-V29 VanDerWaalsContact O-CG2 3.31Å; F25-V29 WeakPolarHBondContact O-CG2 3.35Å; F25-V29 PolarHBondContact O-N 3.39Å |
| 26 | M | 72.6 | Confident | 68.1 | Low | 121 Ų | 121 | 78 Ų | 78 | 60% | 0.596 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.9 | -43 | 176.3 | -66.6 | -169.7 | 82.6 | 0 | 0 | 112.1 | V22 F23 T28 V29 S30 | V22-M26 HydrophobicContact CG1-SD 4.49Å; V22-M26 WeakPolarHBondContact O-CG 3.09Å; V22-M26 PolarHBondContact O-N 2.87Å; F23-M26 PolarHBondContact O-N 3.33Å; M26-T28 PolarHBondContact O-N 3.21Å; M26-V29 PolarHBondContact O-N 2.84Å; M26-S30 PolarHBondContact O-N 3.44Å |
| 27 | F | 68.8 | Low | 67.1 | Low | 64 Ų | 64 | 80.5 Ų | 80.5 | 28% | 0.281 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.8 | -35.4 | 174.8 | -86.5 | -65 | 0 | 0 | 0 | 113.5 | F23 F25 G31 L42 I45 I49 | F23-F27 VanDerWaalsContact O-CD2 3.3Å; F23-F27 WeakPolarHBondContact O-CD2 3.43Å; F23-F27 PolarHBondContact O-N 2.73Å; F25-F27 PolarHBondContact O-N 2.86Å; F27-G31 PolarHBondContact O-N 2.76Å; F27-L42 HydrophobicContact CD1-CB 4.47Å; F27-L42 HydrophobicContact CD1-CD1 4.41Å; F27-L42 HydrophobicContact CD1-CD2 4.01Å; F27-L42 HydrophobicContact CE1-CD2 4.1Å; F27-I45 HydrophobicContact CD1-CG2 4.36Å; F27-I49 HydrophobicContact CD2-CD1 3.9Å; F27-I49 HydrophobicContact CE2-CD1 3.88Å |
| 28 | T | 65.6 | Low | 66.6 | Low | 38 Ų | 38 | 80.9 Ų | 80.9 | 23% | 0.233 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -75.9 | -34 | 175.7 | 43.1 | 0 | 0 | 0 | 0 | 112.8 | G24 F25 M26 G31 M32 | G24-T28 WeakPolarHBondContact O-CB 3.46Å; G24-T28 WeakPolarHBondContact O-CG2 3.45Å; G24-T28 PolarHBondContact O-N 3.13Å; G24-T28 PolarHBondContact O-OG1 3.05Å; F25-T28 WeakPolarHBondContact CA-OG1 3.03Å; F25-T28 PolarHBondContact O-N 2.99Å; F25-T28 PolarHBondContact O-OG1 3.45Å; F25-T28 VanDerWaalsContact O-OG1 3.09Å; M26-T28 PolarHBondContact O-N 3.21Å; T28-G31 CarbonylContact O-C 3.59Å; T28-G31 PolarHBondContact O-N 2.87Å; T28-M32 WeakPolarHBondContact O-CB 3.35Å; T28-M32 VanDerWaalsContact O-CG 3.3Å; T28-M32 WeakPolarHBondContact O-CG 3.32Å; T28-M32 PolarHBondContact O-N 3.46Å |
| 29 | V | 67.4 | Low | 65.5 | Low | 70 Ų | 70 | 86.1 Ų | 86.1 | 42% | 0.424 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.3 | -45.9 | 175 | 171 | 0 | 0 | 0 | 0 | 111.5 | F25 M26 G31 M32 K33 | F25-V29 HydrophobicContact CD1-CG2 4.19Å; F25-V29 HydrophobicContact CD2-CG2 4.07Å; F25-V29 HydrophobicContact CE1-CG2 3.84Å; F25-V29 HydrophobicContact CE2-CG2 3.71Å; F25-V29 HydrophobicContact CG-CG2 4.3Å; F25-V29 HydrophobicContact CZ-CG2 3.58Å; F25-V29 WeakPolarHBondContact O-CB 3.38Å; F25-V29 VanDerWaalsContact O-CG2 3.31Å; F25-V29 WeakPolarHBondContact O-CG2 3.35Å; F25-V29 PolarHBondContact O-N 3.39Å; M26-V29 PolarHBondContact O-N 2.84Å; V29-G31 VanDerWaalsContact C-N 3.31Å; V29-G31 PolarHBondContact O-N 3.47Å; V29-M32 PolarHBondContact O-N 2.94Å; V29-K33 PolarHBondContact O-N 3.08Å |
| 30 | S | 63.8 | Low | 64.6 | Low | 42 Ų | 42 | 87.3 Ų | 87.3 | 29% | 0.294 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 170.1 | -90.1 | 0 | 0 | 0 | 0 | 111.9 | M26 M32 K33 G34 E35 | M26-S30 PolarHBondContact O-N 3.44Å; S30-M32 PolarHBondContact O-N 3.23Å; S30-K33 WeakPolarHBondContact O-CB 3.46Å; S30-K33 PolarHBondContact O-N 3.49Å; S30-K33 VanDerWaalsContact O-N 3.13Å; S30-G34 PolarHBondContact O-N 2.9Å; S30-E35 VanDerWaalsContact CB-OE2 3.23Å; S30-E35 WeakPolarHBondContact CB-OE2 3.12Å; S30-E35 PolarHBondContact O-N 3.24Å; S30-E35 PolarHBondContact OG-OE2 3.25Å |
| 31 | G | 60.8 | Low | 64 | Low | 11 Ų | 11 | 87.6 Ų | 87.6 | 11% | 0.113 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F27 T28 V29 K33 G34 | F27-G31 PolarHBondContact O-N 2.76Å; T28-G31 CarbonylContact O-C 3.59Å; T28-G31 PolarHBondContact O-N 2.87Å; V29-G31 VanDerWaalsContact C-N 3.31Å; V29-G31 PolarHBondContact O-N 3.47Å; G31-K33 VanDerWaalsContact C-N 3.27Å; G31-K33 PolarHBondContact O-N 3.14Å; G31-G34 PolarHBondContact O-N 3.06Å |
| 32 | M | 58.9 | Low | 63.3 | Low | 152 Ų | 152 | 83.3 Ų | 83.3 | 75% | 0.749 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.8 | -26.8 | 173.7 | -79.3 | 177.9 | 63.9 | 0 | 0 | 112.8 | T28 V29 S30 G34 L43 | T28-M32 WeakPolarHBondContact O-CB 3.35Å; T28-M32 VanDerWaalsContact O-CG 3.3Å; T28-M32 WeakPolarHBondContact O-CG 3.32Å; T28-M32 PolarHBondContact O-N 3.46Å; V29-M32 PolarHBondContact O-N 2.94Å; S30-M32 PolarHBondContact O-N 3.23Å; M32-G34 PolarHBondContact O-N 2.95Å; M32-L43 HydrophobicContact CG-CD1 3.96Å |
| 33 | K | 63 | Low | 62.3 | Low | 156 Ų | 156 | 83.7 Ų | 83.7 | 68% | 0.678 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -5.6 | 174.1 | -165.4 | 177.8 | 165 | -151.1 | 0 | 112.8 | V29 S30 G31 E35 | V29-K33 PolarHBondContact O-N 3.08Å; S30-K33 WeakPolarHBondContact O-CB 3.46Å; S30-K33 PolarHBondContact O-N 3.49Å; S30-K33 VanDerWaalsContact O-N 3.13Å; G31-K33 VanDerWaalsContact C-N 3.27Å; G31-K33 PolarHBondContact O-N 3.14Å; K33-E35 VanDerWaalsContact C-N 3.32Å; K33-E35 HydrophobicContact CB-CG 4.4Å; K33-E35 HydrophobicContact CD-CG 4.38Å; K33-E35 WeakPolarHBondContact CD-OE1 3.29Å; K33-E35 VanDerWaalsContact CE-OE1 3.3Å; K33-E35 WeakPolarHBondContact CE-OE1 3.38Å; K33-E35 HydrophobicContact CG-CG 4.42Å; K33-E35 IonicContact NZ-OE1 3.04Å; K33-E35 PolarHBondContact NZ-OE1 3.47Å |
| 34 | G | 56.1 | Low | 61.8 | Low | 55 Ų | 55 | 80.7 Ų | 80.7 | 57% | 0.567 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | 9.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S30 G31 M32 T36 | S30-G34 PolarHBondContact O-N 2.9Å; G31-G34 PolarHBondContact O-N 3.06Å; M32-G34 PolarHBondContact O-N 2.95Å; G34-T36 PolarHBondContact O-N 3.43Å |
| 35 | E | 55.9 | Low | 61.4 | Low | 76 Ų | 76 | 82.9 Ų | 82.9 | 36% | 0.355 | 47% | 0.466 | S | S | . | . | trans | -70.5 | 115.1 | 174.6 | -64.5 | 172.1 | 162.4 | 0 | 0 | 108.7 | S30 K33 L42 | S30-E35 VanDerWaalsContact CB-OE2 3.23Å; S30-E35 WeakPolarHBondContact CB-OE2 3.12Å; S30-E35 PolarHBondContact O-N 3.24Å; S30-E35 PolarHBondContact OG-OE2 3.25Å; K33-E35 VanDerWaalsContact C-N 3.32Å; K33-E35 HydrophobicContact CB-CG 4.4Å; K33-E35 HydrophobicContact CD-CG 4.38Å; K33-E35 WeakPolarHBondContact CD-OE1 3.29Å; K33-E35 VanDerWaalsContact CE-OE1 3.3Å; K33-E35 WeakPolarHBondContact CE-OE1 3.38Å; K33-E35 HydrophobicContact CG-CG 4.42Å; K33-E35 IonicContact NZ-OE1 3.04Å; K33-E35 PolarHBondContact NZ-OE1 3.47Å; E35-L42 HydrophobicContact CB-CD1 4.41Å; E35-L42 VanDerWaalsContact O-CD1 3.29Å; E35-L42 WeakPolarHBondContact O-CD1 3.5Å; E35-L42 VanDerWaalsContact O-CG 3.26Å; E35-L42 WeakPolarHBondContact O-CG 3.43Å | ||
| 36 | T | 55.6 | Low | 60.9 | Low | 82 Ų | 82 | 76.3 Ų | 76.3 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | B | Isolated β-bridge | trans | -110.8 | 129.3 | 176.1 | 68.4 | 0 | 0 | 0 | 0 | 110.3 | G34 G38 | G34-T36 PolarHBondContact O-N 3.43Å; T36-G38 VanDerWaalsContact CB-O 3.23Å; T36-G38 WeakPolarHBondContact CB-O 3.34Å; T36-G38 PolarHBondContact O-N 3.39Å; T36-G38 PolarHBondContact OG1-O 2.89Å |
| 37 | L | 50.5 | Low | 60.5 | Low | 133 Ų | 133 | 73.3 Ų | 73.3 | 70% | 0.696 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -77.5 | 80.5 | 166.3 | -76.7 | 178.8 | 0 | 0 | 0 | 108.1 | L42 | L37-L42 HydrophobicContact CB-CD2 4.05Å; L37-L42 HydrophobicContact CD1-CD2 3.89Å; L37-L42 HydrophobicContact CG-CD2 3.88Å |
| 38 | G | 64.7 | Low | 60.3 | Low | 56 Ų | 56 | 73.1 Ų | 73.1 | 58% | 0.577 | 44% | 0.438 | S | S | * | . | S | Bend | trans | 71.6 | -130.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T36 I40 | T36-G38 VanDerWaalsContact CB-O 3.23Å; T36-G38 WeakPolarHBondContact CB-O 3.34Å; T36-G38 PolarHBondContact O-N 3.39Å; T36-G38 PolarHBondContact OG1-O 2.89Å; G38-I40 VanDerWaalsContact C-N 3.33Å; G38-I40 PolarHBondContact O-N 3.13Å |
| 39 | N | 55.6 | Low | 60.4 | Low | 168 Ų | 168 | 74 Ų | 74 | 90% | 0.898 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -92 | 19 | -167.6 | -153.6 | 12.3 | 0 | 0 | 0 | 114.2 | ||
| 40 | I | 58.1 | Low | 60.2 | Low | 99 Ų | 99 | 71.7 Ų | 71.7 | 51% | 0.508 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -130.3 | 126.8 | 179.5 | -57.1 | 178.2 | 0 | 0 | 0 | 108.7 | G38 L42 I45 | G38-I40 VanDerWaalsContact C-N 3.33Å; G38-I40 PolarHBondContact O-N 3.13Å; I40-L42 PolarHBondContact O-N 3Å; I40-I45 HydrophobicContact CG2-CD1 3.87Å; I40-I45 HydrophobicContact CG2-CG1 4.21Å |
| 41 | P | 59.2 | Low | 60.2 | Low | 70 Ų | 70 | 74.9 Ų | 74.9 | 46% | 0.455 | 44% | 0.44 | S | S | . | . | B | Isolated β-bridge | trans | -71.2 | 129.4 | 178.1 | 28.4 | -33.6 | 0 | 0 | 0 | 111 | L43 A44 | P41-L43 HydrophobicContact CB-CB 4.46Å; P41-L43 PolarHBondContact O-N 3.5Å; P41-L43 VanDerWaalsContact O-N 3.08Å; P41-A44 HydrophobicContact CG-CB 4.23Å; P41-A44 PolarHBondContact O-N 3.43Å |
| 42 | L | 57.2 | Low | 60.5 | Low | 12 Ų | 12 | 78.1 Ų | 78.1 | 6% | 0.063 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -58.1 | -25.5 | 176.4 | -66.2 | -176.8 | 0 | 0 | 0 | 112.7 | F27 E35 L37 I40 A44 I45 G46 | F27-L42 HydrophobicContact CD1-CB 4.47Å; F27-L42 HydrophobicContact CD1-CD1 4.41Å; F27-L42 HydrophobicContact CD1-CD2 4.01Å; F27-L42 HydrophobicContact CE1-CD2 4.1Å; E35-L42 HydrophobicContact CB-CD1 4.41Å; E35-L42 VanDerWaalsContact O-CD1 3.29Å; E35-L42 WeakPolarHBondContact O-CD1 3.5Å; E35-L42 VanDerWaalsContact O-CG 3.26Å; E35-L42 WeakPolarHBondContact O-CG 3.43Å; L37-L42 HydrophobicContact CB-CD2 4.05Å; L37-L42 HydrophobicContact CD1-CD2 3.89Å; L37-L42 HydrophobicContact CG-CD2 3.88Å; I40-L42 PolarHBondContact O-N 3Å; L42-A44 PolarHBondContact O-N 3.37Å; L42-I45 HydrophobicContact CD2-CD1 3.89Å; L42-I45 PolarHBondContact O-N 3.44Å; L42-G46 PolarHBondContact O-N 3.46Å; L42-G46 VanDerWaalsContact O-N 3.13Å |
| 43 | L | 56.3 | Low | 60.7 | Low | 91 Ų | 91 | 71 Ų | 71 | 48% | 0.476 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -55.1 | -30.2 | 172.1 | -164.6 | 73.7 | 0 | 0 | 0 | 113.5 | M32 P41 P47 | M32-L43 HydrophobicContact CG-CD1 3.96Å; P41-L43 HydrophobicContact CB-CB 4.46Å; P41-L43 PolarHBondContact O-N 3.5Å; P41-L43 VanDerWaalsContact O-N 3.08Å; L43-P47 WeakPolarHBondContact O-CD 3.45Å; L43-P47 WeakPolarHBondContact O-CG 3.23Å |
| 44 | A | 61.5 | Low | 60.8 | Low | 54 Ų | 54 | 68.1 Ų | 68.1 | 45% | 0.446 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -86.1 | -24.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | P41 L42 A48 | P41-A44 HydrophobicContact CG-CB 4.23Å; P41-A44 PolarHBondContact O-N 3.43Å; L42-A44 PolarHBondContact O-N 3.37Å; A44-A48 PolarHBondContact O-N 2.87Å |
| 45 | I | 65.1 | Low | 61.2 | Low | 50 Ų | 50 | 67.9 Ų | 67.9 | 26% | 0.256 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -77.3 | -37.9 | -178 | -72.2 | 162.5 | 0 | 0 | 0 | 111.4 | F27 I40 L42 A48 I49 | F27-I45 HydrophobicContact CD1-CG2 4.36Å; I40-I45 HydrophobicContact CG2-CD1 3.87Å; I40-I45 HydrophobicContact CG2-CG1 4.21Å; L42-I45 HydrophobicContact CD2-CD1 3.89Å; L42-I45 PolarHBondContact O-N 3.44Å; I45-A48 WeakPolarHBondContact O-CB 3.47Å; I45-A48 PolarHBondContact O-N 2.88Å; I45-A48 VanDerWaalsContact O-N 3.12Å; I45-I49 HydrophobicContact CG2-CD1 3.63Å; I45-I49 HydrophobicContact CG2-CG1 4.27Å; I45-I49 WeakPolarHBondContact O-CG1 3.1Å; I45-I49 PolarHBondContact O-N 3.01Å |
| 46 | G | 63.3 | Low | 61.6 | Low | 2 Ų | 2 | 67 Ų | 67 | 2% | 0.021 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -53.7 | -52.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L42 A48 I49 C50 | L42-G46 PolarHBondContact O-N 3.46Å; L42-G46 VanDerWaalsContact O-N 3.13Å; G46-A48 PolarHBondContact O-N 3.45Å; G46-I49 PolarHBondContact O-N 2.86Å; G46-C50 PolarHBondContact O-N 2.96Å |
| 47 | P | 63 | Low | 62 | Low | 59 Ų | 59 | 64.7 Ų | 64.7 | 38% | 0.383 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58 | -41.5 | 171.5 | -27.2 | 35.6 | 0 | 0 | 0 | 113.7 | L43 I49 C50 L51 | L43-P47 WeakPolarHBondContact O-CD 3.45Å; L43-P47 WeakPolarHBondContact O-CG 3.23Å; P47-I49 VanDerWaalsContact C-N 3.26Å; P47-I49 PolarHBondContact O-N 3.36Å; P47-C50 PolarHBondContact O-N 3.3Å; P47-L51 WeakPolarHBondContact O-CB 3.33Å; P47-L51 VanDerWaalsContact O-CG 3.23Å; P47-L51 WeakPolarHBondContact O-CG 3.49Å; P47-L51 PolarHBondContact O-N 3.41Å |
| 48 | A | 65.7 | Low | 62.5 | Low | 60 Ų | 60 | 61 Ų | 61 | 50% | 0.496 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.2 | -29.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | A44 I45 G46 P52 | A44-A48 PolarHBondContact O-N 2.87Å; I45-A48 WeakPolarHBondContact O-CB 3.47Å; I45-A48 PolarHBondContact O-N 2.88Å; I45-A48 VanDerWaalsContact O-N 3.12Å; G46-A48 PolarHBondContact O-N 3.45Å; A48-P52 WeakPolarHBondContact O-CD 3.36Å; A48-P52 WeakPolarHBondContact O-CG 3.37Å |
| 49 | I | 66.2 | Low | 62.2 | Low | 56 Ų | 56 | 63.5 Ų | 63.5 | 29% | 0.287 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -82.9 | -38.2 | 174.7 | -67.4 | 170.8 | 0 | 0 | 0 | 111.5 | F20 F27 I45 G46 P47 | F20-I49 HydrophobicContact CD1-CG2 4.06Å; F20-I49 WeakPolarHBondContact CD1-O 3.31Å; F20-I49 HydrophobicContact CE1-CG2 4.43Å; F27-I49 HydrophobicContact CD2-CD1 3.9Å; F27-I49 HydrophobicContact CE2-CD1 3.88Å; I45-I49 HydrophobicContact CG2-CD1 3.63Å; I45-I49 HydrophobicContact CG2-CG1 4.27Å; I45-I49 WeakPolarHBondContact O-CG1 3.1Å; I45-I49 PolarHBondContact O-N 3.01Å; G46-I49 PolarHBondContact O-N 2.86Å; P47-I49 VanDerWaalsContact C-N 3.26Å; P47-I49 PolarHBondContact O-N 3.36Å |
| 50 | C | 63.3 | Low | 62.4 | Low | 21 Ų | 21 | 57.1 Ų | 57.1 | 14% | 0.142 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.1 | -37.5 | 177.5 | -81.6 | 0 | 0 | 0 | 0 | 113.9 | F20 G46 P47 G53 I54 | F20-C50 PolarHBondContact O-SG 3.46Å; F20-C50 VanDerWaalsContact O-SG 3.36Å; G46-C50 PolarHBondContact O-N 2.96Å; P47-C50 PolarHBondContact O-N 3.3Å; C50-G53 PolarHBondContact O-N 2.94Å; C50-G53 VanDerWaalsContact O-N 3.16Å; C50-I54 HydrophobicContact CB-CD1 4.25Å; C50-I54 WeakPolarHBondContact O-CG1 3.31Å; C50-I54 PolarHBondContact O-N 2.77Å |
| 51 | L | 65.3 | Low | 62.4 | Low | 109 Ų | 109 | 62.5 Ų | 62.5 | 57% | 0.571 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.5 | -44.9 | -173.5 | -80.8 | 166.6 | 0 | 0 | 0 | 113.9 | P47 G53 I54 A55 | P47-L51 WeakPolarHBondContact O-CB 3.33Å; P47-L51 VanDerWaalsContact O-CG 3.23Å; P47-L51 WeakPolarHBondContact O-CG 3.49Å; P47-L51 PolarHBondContact O-N 3.41Å; L51-G53 VanDerWaalsContact C-N 3.32Å; L51-G53 PolarHBondContact O-N 3.34Å; L51-I54 PolarHBondContact O-N 3.12Å; L51-A55 VanDerWaalsContact O-CB 3.28Å; L51-A55 WeakPolarHBondContact O-CB 3.08Å; L51-A55 PolarHBondContact O-N 3.45Å |
| 52 | P | 65.4 | Low | 62.1 | Low | 79 Ų | 79 | 68 Ų | 68 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58 | -40.6 | 172.4 | -27.2 | 35.4 | 0 | 0 | 0 | 113.4 | A48 A55 A56 | A48-P52 WeakPolarHBondContact O-CD 3.36Å; A48-P52 WeakPolarHBondContact O-CG 3.37Å; P52-A55 PolarHBondContact O-N 3.27Å; P52-A56 WeakPolarHBondContact O-CB 3.44Å; P52-A56 PolarHBondContact O-N 3.09Å |
| 53 | G | 64.1 | Low | 62 | Low | 2 Ų | 2 | 69.2 Ų | 69.2 | 2% | 0.021 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.3 | -53.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | C50 L51 A55 A56 I57 | C50-G53 PolarHBondContact O-N 2.94Å; C50-G53 VanDerWaalsContact O-N 3.16Å; L51-G53 VanDerWaalsContact C-N 3.32Å; L51-G53 PolarHBondContact O-N 3.34Å; G53-A55 VanDerWaalsContact C-N 3.29Å; G53-A55 PolarHBondContact O-N 3.12Å; G53-A56 PolarHBondContact O-N 2.89Å; G53-I57 VanDerWaalsContact O-CD1 3.23Å; G53-I57 WeakPolarHBondContact O-CD1 3.33Å; G53-I57 VanDerWaalsContact O-CG1 3.23Å; G53-I57 WeakPolarHBondContact O-CG1 3.23Å; G53-I57 PolarHBondContact O-N 3.37Å |
| 54 | I | 64.8 | Low | 61.5 | Low | 97 Ų | 97 | 72.9 Ų | 72.9 | 50% | 0.497 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.1 | -41.4 | 177.9 | -65.1 | 165.6 | 0 | 0 | 0 | 111.1 | C50 L51 I57 A58 | C50-I54 HydrophobicContact CB-CD1 4.25Å; C50-I54 WeakPolarHBondContact O-CG1 3.31Å; C50-I54 PolarHBondContact O-N 2.77Å; L51-I54 PolarHBondContact O-N 3.12Å; I54-I57 PolarHBondContact O-N 2.9Å; I54-A58 WeakPolarHBondContact O-CB 3.19Å; I54-A58 PolarHBondContact O-N 3.37Å |
| 55 | A | 65.1 | Low | 61 | Low | 50 Ų | 50 | 71.1 Ų | 71.1 | 41% | 0.413 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L51 P52 G53 I57 A58 L59 | L51-A55 VanDerWaalsContact O-CB 3.28Å; L51-A55 WeakPolarHBondContact O-CB 3.08Å; L51-A55 PolarHBondContact O-N 3.45Å; P52-A55 PolarHBondContact O-N 3.27Å; G53-A55 VanDerWaalsContact C-N 3.29Å; G53-A55 PolarHBondContact O-N 3.12Å; A55-I57 VanDerWaalsContact C-N 3.33Å; A55-I57 PolarHBondContact O-N 2.95Å; A55-A58 PolarHBondContact O-N 3.27Å; A55-L59 WeakPolarHBondContact O-CB 3.41Å; A55-L59 PolarHBondContact O-N 3.07Å |
| 56 | A | 63.6 | Low | 60.2 | Low | 58 Ų | 58 | 72 Ų | 72 | 48% | 0.479 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | P52 G53 L59 A60 | P52-A56 WeakPolarHBondContact O-CB 3.44Å; P52-A56 PolarHBondContact O-N 3.09Å; G53-A56 PolarHBondContact O-N 2.89Å; A56-L59 PolarHBondContact O-N 2.99Å; A56-A60 WeakPolarHBondContact O-CB 3.48Å; A56-A60 PolarHBondContact O-N 2.87Å |
| 57 | I | 64.1 | Low | 59.5 | Low | 32 Ų | 32 | 76.9 Ų | 76.9 | 16% | 0.164 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -69.2 | -42.5 | 176 | -60.2 | 152.8 | 0 | 0 | 0 | 110.9 | V13 V17 G53 I54 A55 L59 A60 R61 | V13-I57 HydrophobicContact CG1-CG1 4.34Å; V13-I57 HydrophobicContact CG1-CG2 3.95Å; V17-I57 HydrophobicContact CG2-CD1 3.29Å; V17-I57 HydrophobicContact CG2-CG1 4.22Å; G53-I57 VanDerWaalsContact O-CD1 3.23Å; G53-I57 WeakPolarHBondContact O-CD1 3.33Å; G53-I57 VanDerWaalsContact O-CG1 3.23Å; G53-I57 WeakPolarHBondContact O-CG1 3.23Å; G53-I57 PolarHBondContact O-N 3.37Å; I54-I57 PolarHBondContact O-N 2.9Å; A55-I57 VanDerWaalsContact C-N 3.33Å; A55-I57 PolarHBondContact O-N 2.95Å; I57-L59 VanDerWaalsContact C-N 3.33Å; I57-L59 PolarHBondContact O-N 3.19Å; I57-A60 PolarHBondContact O-N 2.05Å; I57-R61 HydrophobicContact CG2-CG 4.5Å; I57-R61 WeakPolarHBondContact O-CB 3.38Å; I57-R61 WeakPolarHBondContact O-CG 3.28Å; I57-R61 PolarHBondContact O-N 3.3Å |
| 58 | A | 61 | Low | 58.4 | Low | 56 Ų | 56 | 82.5 Ų | 82.5 | 46% | 0.463 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I54 A55 K62 | I54-A58 WeakPolarHBondContact O-CB 3.19Å; I54-A58 PolarHBondContact O-N 3.37Å; A55-A58 PolarHBondContact O-N 3.27Å; A58-K62 WeakPolarHBondContact O-CB 3.23Å; A58-K62 PolarHBondContact O-N 3.49Å |
| 59 | L | 57.8 | Low | 57.3 | Low | 108 Ų | 108 | 89.3 Ų | 89.3 | 57% | 0.565 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.8 | -52.3 | 171.1 | -88.9 | 159.8 | 0 | 0 | 0 | 111.5 | A55 A56 I57 R61 K62 T63 | A55-L59 WeakPolarHBondContact O-CB 3.41Å; A55-L59 PolarHBondContact O-N 3.07Å; A56-L59 PolarHBondContact O-N 2.99Å; I57-L59 VanDerWaalsContact C-N 3.33Å; I57-L59 PolarHBondContact O-N 3.19Å; L59-R61 VanDerWaalsContact C-N 3.28Å; L59-R61 PolarHBondContact O-N 2.95Å; L59-K62 CarbonylContact O-C 3.57Å; L59-K62 PolarHBondContact O-N 2.9Å; L59-T63 HydrophobicContact CD2-CG2 4.47Å; L59-T63 WeakPolarHBondContact O-CG2 3.02Å; L59-T63 PolarHBondContact O-N 3.34Å; L59-T63 PolarHBondContact O-OG1 3.39Å |
| 60 | A | 59.9 | Low | 56.1 | Low | 35 Ų | 35 | 91.6 Ų | 91.6 | 29% | 0.289 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.2 | -38.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A56 I57 E64 G65 | A56-A60 WeakPolarHBondContact O-CB 3.48Å; A56-A60 PolarHBondContact O-N 2.87Å; I57-A60 PolarHBondContact O-N 2.05Å; A60-E64 PolarHBondContact O-N 3.05Å; A60-G65 PolarHBondContact O-N 2.83Å |
| 61 | R | 57.6 | Low | 55.4 | Low | 211 Ų | 211 | 99.7 Ų | 99.7 | 80% | 0.796 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.4 | -33.2 | 174.6 | -70.1 | -176.2 | 70.3 | -176.3 | 1.8 | 113.2 | I57 L59 | I57-R61 HydrophobicContact CG2-CG 4.5Å; I57-R61 WeakPolarHBondContact O-CB 3.38Å; I57-R61 WeakPolarHBondContact O-CG 3.28Å; I57-R61 PolarHBondContact O-N 3.3Å; L59-R61 VanDerWaalsContact C-N 3.28Å; L59-R61 PolarHBondContact O-N 2.95Å |
| 62 | K | 54.5 | Low | 54.5 | Low | 186 Ų | 186 | 100.9 Ų | 100.9 | 81% | 0.809 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -82.6 | -18 | 179.6 | -171.5 | 174.3 | 178.3 | -177.9 | 0 | 113.6 | A58 L59 | A58-K62 WeakPolarHBondContact O-CB 3.23Å; A58-K62 PolarHBondContact O-N 3.49Å; L59-K62 CarbonylContact O-C 3.57Å; L59-K62 PolarHBondContact O-N 2.9Å |
| 63 | T | 55.6 | Low | 53.5 | Low | 37 Ų | 37 | 105.2 Ų | 105.2 | 23% | 0.227 | 54% | 0.543 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 11.9 | 179.9 | 65.7 | 0 | 0 | 0 | 0 | 114 | L59 G65 C66 | L59-T63 HydrophobicContact CD2-CG2 4.47Å; L59-T63 WeakPolarHBondContact O-CG2 3.02Å; L59-T63 PolarHBondContact O-N 3.34Å; L59-T63 PolarHBondContact O-OG1 3.39Å; T63-G65 PolarHBondContact O-N 2.89Å; T63-C66 PolarHBondContact O-N 3.33Å; T63-C66 VanDerWaalsContact O-N 3.15Å; T63-C66 PolarHBondContact OG1-N 3Å |
| 64 | E | 44.7 | Very low | 52.5 | Low | 168 Ų | 168 | 112.7 Ų | 112.7 | 79% | 0.785 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.2 | 30.3 | -177.2 | -58.9 | -176.2 | 154.1 | 0 | 0 | 113.2 | R9 A60 | R9-E64 PolarHBondContact NH1-O 3.08Å; A60-E64 PolarHBondContact O-N 3.05Å |
| 65 | G | 50.8 | Low | 51.4 | Low | 17 Ų | 17 | 116 Ų | 116 | 18% | 0.175 | 60% | 0.6 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 66.5 | 62.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R9 A60 T63 T67 | R9-G65 PolarHBondContact NH1-O 3.33Å; R9-G65 VanDerWaalsContact NH1-O 3.08Å; R9-G65 PolarHBondContact NH2-O 3.48Å; A60-G65 PolarHBondContact O-N 2.83Å; T63-G65 PolarHBondContact O-N 2.89Å; G65-T67 PolarHBondContact O-N 3.18Å |
| 66 | C | 48.9 | Very low | 50.1 | Low | 69 Ų | 69 | 125 Ų | 125 | 47% | 0.466 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 50.5 | 45.3 | 155.3 | -64.5 | 0 | 0 | 0 | 0 | 117.3 | T63 | T63-C66 PolarHBondContact O-N 3.33Å; T63-C66 VanDerWaalsContact O-N 3.15Å; T63-C66 PolarHBondContact OG1-N 3Å |
| 67 | T | 48.3 | Very low | 48.9 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 64% | 0.644 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -85.3 | -18.8 | 164.9 | 56 | 0 | 0 | 0 | 0 | 113 | G65 | G65-T67 PolarHBondContact O-N 3.18Š|
| 68 | K | 40.8 | Very low | 47.7 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 77% | 0.77 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -132.6 | 118 | 163.4 | -69.1 | -178.9 | -179.8 | 176.1 | 0 | 109.3 | ||
| 69 | W | 42 | Very low | 46.7 | Very low | 202 Ų | 202 | 144.7 Ų | 144.7 | 77% | 0.765 | 69% | 0.693 | S | S | * | * | trans | -72.9 | 156.2 | 159 | -88.8 | 72.7 | 0 | 0 | 0 | 109.4 | E71 | W69-E71 PolarHBondContact O-N 3.01Š| ||
| 70 | P | 41.6 | Very low | 45.8 | Very low | 105 Ų | 105 | 147.9 Ų | 147.9 | 68% | 0.682 | 71% | 0.709 | S | S | * | * | trans | -64.6 | 103.6 | 168.5 | 27.5 | -33.3 | 0 | 0 | 0 | 109.2 | N72 | P70-N72 PolarHBondContact O-N 3.34Š| ||
| 71 | E | 47.6 | Very low | 44.8 | Very low | 190 Ų | 190 | 151.4 Ų | 151.4 | 89% | 0.888 | 73% | 0.729 | S | S | * | * | trans | -84.3 | 54.2 | -174.6 | -163 | 159.4 | -137.9 | 0 | 0 | 111 | W69 | W69-E71 PolarHBondContact O-N 3.01Š| ||
| 72 | N | 46.7 | Very low | 43.8 | Very low | 134 Ų | 134 | 147 Ų | 147 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -170.9 | 173.4 | 166.6 | -108.2 | -69.1 | 0 | 0 | 0 | 111.9 | P70 L74 | P70-N72 PolarHBondContact O-N 3.34Å; N72-L74 PolarHBondContact O-N 3.42Å |
| 73 | E | 45.1 | Very low | 43.1 | Very low | 170 Ų | 170 | 148.4 Ų | 148.4 | 79% | 0.794 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 72.1 | -7.8 | 169.3 | -63.3 | -63.9 | 104.1 | 0 | 0 | 121 | ||
| 74 | L | 41.2 | Very low | 42.2 | Very low | 159 Ų | 159 | 158 Ų | 158 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -129.9 | 64.1 | 175.4 | -75.4 | 178.4 | 0 | 0 | 0 | 115.1 | N72 W76 | N72-L74 PolarHBondContact O-N 3.42Å; L74-W76 PolarHBondContact O-N 3.16Å | ||
| 75 | L | 43.6 | Very low | 41.9 | Very low | 167 Ų | 167 | 159.1 Ų | 159.1 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 18.9 | -178.9 | -80.8 | 168.2 | 0 | 0 | 0 | 116.7 | ||
| 76 | W | 37.7 | Very low | 41.3 | Very low | 238 Ų | 238 | 163.9 Ų | 163.9 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.3 | -1.5 | -163.7 | -74.9 | 94.4 | 0 | 0 | 0 | 118.1 | L74 | L74-W76 PolarHBondContact O-N 3.16Š|
| 77 | V | 37.9 | Very low | 40.9 | Very low | 149 Ų | 149 | 169.3 Ų | 169.3 | 90% | 0.903 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -110.8 | 115.5 | 169.8 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | ||
| 78 | R | 38.9 | Very low | 40.1 | Very low | 229 Ų | 229 | 171.6 Ų | 171.6 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -91.6 | 121.1 | -160.2 | 178.2 | 174.8 | 175 | 145.9 | -7.5 | 112.5 | ||||
| 79 | K | 40 | Very low | 40.2 | Very low | 183 Ų | 183 | 170.9 Ų | 170.9 | 80% | 0.796 | 82% | 0.819 | S | S | * | * | trans | 63 | 101.6 | 169.9 | -64.5 | -175.2 | 173.4 | -171.5 | 0 | 117.2 | ||||
| 80 | L | 38.2 | Very low | 40.2 | Very low | 175 Ų | 175 | 170.4 Ų | 170.4 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | trans | -110.4 | 127.6 | 136.1 | -113.9 | 73.8 | 0 | 0 | 0 | 108.3 | ||||
| 81 | P | 38.2 | Very low | 40 | Very low | 109 Ų | 109 | 171.4 Ų | 171.4 | 71% | 0.708 | 83% | 0.829 | S | S | * | * | trans | -85.1 | 158.5 | 173.9 | 34.6 | -33.7 | 0 | 0 | 0 | 112.1 | ||||
| 82 | C | 36.6 | Very low | 39.8 | Very low | 117 Ų | 117 | 169 Ų | 169 | 79% | 0.791 | 83% | 0.827 | S | S | * | * | trans | 58 | 96.5 | 161.1 | -63.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 83 | F | 41.6 | Very low | 39.5 | Very low | 216 Ų | 216 | 171.4 Ų | 171.4 | 95% | 0.947 | 83% | 0.834 | S | S | * | * | -138.1 | 100.9 | 126.9 | -104.2 | -77.4 | 0 | 0 | 0 | 110.1 | |||||
| 84 | R | 36.6 | Very low | 39.2 | Very low | 239 Ų | 239 | 171 Ų | 171 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 138.9 | 171 | -89 | -173.6 | 169.5 | -172.1 | -1.9 | 109.4 | P86 | R84-P86 WeakPolarHBondContact O-CD 3.46Š|
| 85 | K | 38.3 | Very low | 39.1 | Very low | 192 Ų | 192 | 172 Ų | 172 | 84% | 0.835 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 131.4 | 173.2 | -61.2 | 176.9 | -179.2 | 175 | 0 | 111.2 | ||
| 86 | P | 37.7 | Very low | 38.7 | Very low | 117 Ų | 117 | 174.9 Ų | 174.9 | 76% | 0.76 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 163.9 | 140.2 | -10.4 | 28.8 | 0 | 0 | 0 | 110.2 | R84 | R84-P86 WeakPolarHBondContact O-CD 3.46Š|
| 87 | K | 41.6 | Very low | 38.5 | Very low | 183 Ų | 183 | 169.2 Ų | 169.2 | 80% | 0.796 | 83% | 0.833 | S | S | * | * | trans | -115.5 | 120.9 | 171.8 | -75.5 | 179.5 | 178.6 | 175.6 | 0 | 109.9 | ||||
| 88 | D | 30.8 | Very low | 38.6 | Very low | 153 Ų | 153 | 168.1 Ų | 168.1 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -122.4 | 124 | 143.8 | -63.6 | -58 | 0 | 0 | 0 | 104.3 | ||||
| 89 | K | 43.5 | Very low | 38.7 | Very low | 161 Ų | 161 | 162.2 Ų | 162.2 | 70% | 0.7 | 82% | 0.822 | S | S | * | * | cis | 59.9 | 136.6 | 42.9 | -64 | -169.3 | 166.9 | -168.8 | 0 | 112.3 | V91 | K89-V91 PolarHBondContact O-N 3.35Š| ||
| 90 | E | 40.7 | Very low | 38.4 | Very low | 193 Ų | 193 | 161.4 Ų | 161.4 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | S | Bend | trans | 70.9 | 19.3 | 172.1 | -57.3 | -178.8 | -166.5 | 0 | 0 | 118.4 | ||
| 91 | V | 37.8 | Very low | 38.3 | Very low | 126 Ų | 126 | 161.2 Ų | 161.2 | 76% | 0.764 | 83% | 0.826 | S | S | * | * | trans | -135.3 | 50.7 | 160 | -157.8 | 0 | 0 | 0 | 0 | 112.5 | K89 | K89-V91 PolarHBondContact O-N 3.35Š| ||
| 92 | V | 42.8 | Very low | 38.3 | Very low | 140 Ų | 140 | 165.3 Ų | 165.3 | 85% | 0.848 | 84% | 0.835 | S | S | * | * | trans | -126.8 | 50.4 | 177.7 | -164.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 93 | E | 40.5 | Very low | 38.2 | Very low | 184 Ų | 184 | 165.7 Ų | 165.7 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -139.8 | 0.4 | 178.1 | -140.8 | 163.8 | -142.4 | 0 | 0 | 114.6 | ||
| 94 | L | 40 | Very low | 37.6 | Very low | 162 Ų | 162 | 158.5 Ų | 158.5 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -102.7 | 11.2 | 179 | -67.9 | 176.1 | 0 | 0 | 0 | 114.6 | ||
| 95 | L | 38.9 | Very low | 37.6 | Very low | 179 Ų | 179 | 157.5 Ų | 157.5 | 94% | 0.937 | 83% | 0.828 | S | S | * | * | trans | -108.1 | 54.8 | 171 | -69.6 | -179.8 | 0 | 0 | 0 | 111.6 | ||||
| 96 | R | 34.3 | Very low | 37.3 | Very low | 228 Ų | 228 | 152 Ų | 152 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | -116.8 | 93.8 | 163.8 | -166.5 | 179.5 | -171.8 | 98.5 | 3.2 | 109.9 | ||||
| 97 | T | 34.1 | Very low | 37.2 | Very low | 119 Ų | 119 | 151.8 Ų | 151.8 | 73% | 0.73 | 83% | 0.828 | S | S | * | * | trans | -57.3 | 128.9 | 172.9 | -29.3 | 0 | 0 | 0 | 0 | 109.9 | S99 | T97-S99 PolarHBondContact O-N 2.94Å; T97-S99 VanDerWaalsContact O-N 3.16Å | ||
| 98 | P | 40.7 | Very low | 36.8 | Very low | 126 Ų | 126 | 148.7 Ų | 148.7 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -77 | 100.7 | 170.7 | 30.3 | -31.4 | 0 | 0 | 0 | 109 | ||||
| 99 | S | 39 | Very low | 37.1 | Very low | 104 Ų | 104 | 148 Ų | 148 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | -93.5 | 142.4 | 157.8 | -60.5 | 0 | 0 | 0 | 0 | 108.5 | T97 | T97-S99 PolarHBondContact O-N 2.94Å; T97-S99 VanDerWaalsContact O-N 3.16Å | ||
| 100 | D | 34.8 | Very low | 36.5 | Very low | 167 Ų | 167 | 147.1 Ų | 147.1 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | trans | -55.1 | 135.9 | -170.1 | -62.8 | -83.1 | 0 | 0 | 0 | 114.1 | ||||
| 101 | L | 36 | Very low | 36.4 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | trans | -120.8 | 107.4 | 159.3 | -89.9 | 172.3 | 0 | 0 | 0 | 108.6 | S103 | L101-S103 PolarHBondContact O-N 2.85Š| ||
| 102 | E | 37.2 | Very low | 36.2 | Very low | 194 Ų | 194 | 143.6 Ų | 143.6 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | trans | -66.1 | 106.9 | 170.6 | -175 | -150.3 | 136.3 | 0 | 0 | 110.4 | ||||
| 103 | S | 34.4 | Very low | 35.8 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -170.8 | 160 | 155.8 | -144.5 | 0 | 0 | 0 | 0 | 111.1 | L101 | L101-S103 PolarHBondContact O-N 2.85Š| ||
| 104 | G | 29.4 | Very low | 35.5 | Very low | 66 Ų | 66 | 148.1 Ų | 148.1 | 68% | 0.68 | 82% | 0.82 | S | S | * | * | trans | 122.3 | 20.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 105 | K | 37.1 | Very low | 35.2 | Very low | 217 Ų | 217 | 145 Ų | 145 | 94% | 0.943 | 82% | 0.818 | S | S | * | * | trans | 32.7 | 98.9 | 135.3 | -175.3 | -176.2 | 177.6 | 179.4 | 0 | 118.3 | ||||
| 106 | G | 30.9 | Very low | 34.6 | Very low | 76 Ų | 76 | 139.8 Ų | 139.8 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | 149.3 | 154.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 107 | S | 35.6 | Very low | 34.4 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | cis | -167.3 | 127.8 | -8.2 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 108 | S | 35.1 | Very low | 34.2 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | 64 | 159.5 | 159.8 | -156 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 109 | D | 35.2 | Very low | 33.6 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | -154.1 | 173.1 | -54.2 | -165.1 | 13.1 | 0 | 0 | 0 | 108.3 | |||||
| 110 | E | 32.6 | Very low | 33.3 | Very low | 143 Ų | 143 | 145 Ų | 145 | 67% | 0.668 | 82% | 0.823 | S | S | * | * | trans | 32.3 | 103.7 | 154 | -83.7 | -82.3 | 80.4 | 0 | 0 | 119.5 | ||||
| 111 | L | 37.8 | Very low | 33.9 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | -158.2 | 114 | 119.8 | -116.7 | 167.5 | 0 | 0 | 0 | 112.4 | |||||
| 112 | A | 33.6 | Very low | 34.3 | Very low | 67 Ų | 67 | 140.6 Ų | 140.6 | 55% | 0.554 | 81% | 0.813 | S | S | * | * | trans | -93.1 | 151.3 | -172 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 113 | K | 33.8 | Very low | 33.9 | Very low | 204 Ų | 204 | 134.8 Ų | 134.8 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | 35.7 | 119.8 | 145.8 | -64.8 | 172.8 | 178.7 | 170.3 | 0 | 119 | ||||
| 114 | K | 35.8 | Very low | 33.7 | Very low | 215 Ų | 215 | 138.3 Ų | 138.3 | 94% | 0.935 | 81% | 0.808 | S | S | * | * | -148.7 | 167.7 | 125.9 | -126.4 | 176.4 | -178 | 178.9 | 0 | 114.2 | |||||
| 115 | A | 32.1 | Very low | 33.7 | Very low | 98 Ų | 98 | 138 Ų | 138 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -58.1 | 164.5 | -172 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 116 | G | 26.2 | Very low | 33.4 | Very low | 69 Ų | 69 | 136.9 Ų | 136.9 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | cis | 140.4 | -179.2 | -2.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 117 | L | 31.3 | Very low | 33.3 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | 71.6 | 106 | 170.4 | -64.6 | 168.8 | 0 | 0 | 0 | 120.1 | ||||
| 118 | R | 29.1 | Very low | 33 | Very low | 244 Ų | 244 | 139.7 Ų | 139.7 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | 76.9 | 111.1 | 113.3 | -162.3 | -173.2 | -138.9 | -84.4 | 2.9 | 120.5 | |||||
| 119 | G | 28.4 | Very low | 32.8 | Very low | 78 Ų | 78 | 139.9 Ų | 139.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -175.6 | 144.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 120 | K | 32 | Very low | 32.4 | Very low | 203 Ų | 203 | 137.8 Ų | 137.8 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -144.3 | 146 | 178.3 | -130.9 | -134.6 | 174.6 | -178.1 | 0 | 111.6 | ||||
| 121 | P | 48.3 | Very low | 32.4 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | trans | -89 | 176.9 | 175.3 | 40.4 | -36.9 | 0 | 0 | 0 | 111.5 | ||||
| 122 | P | 43.9 | Very low | 31.9 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | cis | -149.6 | -178.9 | 38.2 | 45.2 | -24.2 | 0 | 0 | 0 | 120 | ||||
| 123 | G | 28.8 | Very low | 31.7 | Very low | 72 Ų | 72 | 138.6 Ų | 138.6 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | 178.6 | 158.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 124 | Q | 30.7 | Very low | 31.4 | Very low | 199 Ų | 199 | 134.1 Ų | 134.1 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | cis | -170.1 | 154.4 | -10.4 | -175 | 170.8 | -13.9 | 0 | 0 | 111.1 | ||||
| 125 | G | 30 | Very low | 31.2 | Very low | 61 Ų | 61 | 131.2 Ų | 131.2 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | trans | 90 | 135.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 126 | Q | 31.1 | Very low | 31 | Very low | 193 Ų | 193 | 132.6 Ų | 132.6 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | cis | 74 | 133.4 | 36.9 | -62.8 | -178 | -78.8 | 0 | 0 | 114.9 | ||||
| 127 | G | 28.8 | Very low | 31.2 | Very low | 65 Ų | 65 | 135.5 Ų | 135.5 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | cis | 171.3 | 170.2 | -6.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 128 | E | 29.7 | Very low | 31.6 | Very low | 183 Ų | 183 | 133.8 Ų | 133.8 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | 59.4 | 168.1 | 157.5 | -71.7 | 173.3 | 107.6 | 0 | 0 | 120.4 | ||||
| 129 | V | 29.6 | Very low | 31.6 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | -167 | 166.8 | -51.8 | 126 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 130 | S | 27.8 | Very low | 32.5 | Very low | 94 Ų | 94 | 130.3 Ų | 130.3 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | trans | 72.8 | 160.8 | 168.9 | -73.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 131 | M | 31.3 | Very low | 32.5 | Very low | 181 Ų | 181 | 126.1 Ų | 126.1 | 89% | 0.892 | 79% | 0.786 | S | S | * | * | cis | -148.8 | -173 | -2.4 | -134.3 | 175.7 | -84.2 | 0 | 0 | 112.1 | ||||
| 132 | A | 28.7 | Very low | 31.7 | Very low | 90 Ų | 90 | 129.8 Ų | 129.8 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | -128.9 | 167 | -173 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 133 | S | 28.6 | Very low | 31.3 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 94% | 0.937 | 79% | 0.79 | S | S | * | * | trans | -163.6 | 174.4 | 169.7 | -83.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 134 | S | 28.2 | Very low | 31.3 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -157 | 172.4 | -154.5 | -164.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 135 | I | 31.2 | Very low | 31.4 | Very low | 153 Ų | 153 | 131.1 Ų | 131.1 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 74.7 | 147.2 | 165.6 | -71.1 | 161.4 | 0 | 0 | 0 | 115.2 | ||||
| 136 | T | 28 | Very low | 31.2 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | cis | -156.1 | 172.3 | 39.6 | -23.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 137 | T | 29.8 | Very low | 31.4 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | -140.9 | 157.1 | 161 | 51.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 138 | P | 39.3 | Very low | 31.3 | Very low | 127 Ų | 127 | 136 Ų | 136 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | -156.6 | -172.5 | 98.8 | 39.1 | -16.9 | 0 | 0 | 0 | 117.6 | |||||
| 139 | T | 30.3 | Very low | 31.6 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | -143.2 | 168 | -178.9 | 63.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 140 | P | 46.7 | Very low | 31.7 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | -161.1 | -149 | 96.9 | 44.7 | -22.4 | 0 | 0 | 0 | 116.4 | |||||
| 141 | T | 31.4 | Very low | 31.8 | Very low | 115 Ų | 115 | 139 Ų | 139 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | trans | 75.3 | 160.4 | 166.3 | 18.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 142 | E | 32.8 | Very low | 32.1 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | cis | -136.7 | 178.3 | 8.4 | -59.8 | -179.9 | 104 | 0 | 0 | 113.8 | ||||
| 143 | E | 34 | Very low | 32.1 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -140.4 | 168.7 | -169.5 | -51.3 | 89.7 | -120.2 | 0 | 0 | 117.7 | ||||
| 144 | G | 29.2 | Very low | 32.3 | Very low | 78 Ų | 78 | 137 Ų | 137 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 179.2 | 157.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 145 | E | 32 | Very low | 32.8 | Very low | 184 Ų | 184 | 137.8 Ų | 137.8 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -137.1 | 167.6 | -169.8 | -73.3 | -169 | 94.2 | 0 | 0 | 116.9 | ||||
| 146 | C | 26.6 | Very low | 33.3 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | trans | -167.1 | 158.7 | 154.8 | -104.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 147 | Q | 34.7 | Very low | 34 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -134.8 | 164.3 | -174.2 | -56.7 | 178.8 | 9.9 | 0 | 0 | 114.8 | ||||
| 148 | S | 27.8 | Very low | 34.6 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -167 | 174.6 | 156.1 | -160.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 149 | L | 35.6 | Very low | 34.7 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -144.8 | -172.7 | -156.8 | -151.2 | 99.6 | 0 | 0 | 0 | 114.7 | ||||
| 150 | V | 32.1 | Very low | 35.2 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | trans | 80.8 | 139.1 | 166.9 | 176.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 151 | Q | 30.1 | Very low | 34.7 | Very low | 179 Ų | 179 | 146.7 Ų | 146.7 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | cis | -145.5 | -155.5 | 0.5 | -145.7 | -174.5 | -97.6 | 0 | 0 | 112.9 | ||||
| 152 | S | 37.3 | Very low | 35.3 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -150.8 | 165.4 | -179.4 | 61.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 153 | G | 29.3 | Very low | 35.7 | Very low | 70 Ų | 70 | 147.5 Ų | 147.5 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | 145.5 | 141.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 154 | H | 31.4 | Very low | 36 | Very low | 184 Ų | 184 | 141.7 Ų | 141.7 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | trans | 72.3 | 145 | 159.1 | -138.5 | 60.9 | 0 | 0 | 0 | 117.7 | ||||
| 155 | Q | 39.1 | Very low | 36.1 | Very low | 127 Ų | 127 | 149.4 Ų | 149.4 | 59% | 0.593 | 79% | 0.785 | S | S | * | * | cis | -167 | 130.9 | -28.9 | -170.8 | 175.4 | 14.2 | 0 | 0 | 105.3 | ||||
| 156 | E | 42.1 | Very low | 36.1 | Very low | 172 Ų | 172 | 146 Ų | 146 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | 73.6 | 60.4 | 53.8 | -154.5 | -160.8 | 161.9 | 0 | 0 | 116.4 | |||||
| 157 | E | 43.4 | Very low | 36.7 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | trans | -134.1 | -24.6 | 167.3 | -71 | -151.8 | 116.5 | 0 | 0 | 116.8 | S159 | E157-S159 PolarHBondContact O-N 3.09Š| ||
| 158 | T | 41.1 | Very low | 37.3 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -82.4 | 4.2 | -164.1 | -15.2 | 0 | 0 | 0 | 0 | 116.7 | R160 | T158-R160 PolarHBondContact O-N 3.43Š|
| 159 | S | 41.8 | Very low | 37.7 | Very low | 90 Ų | 90 | 141 Ų | 141 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -79.4 | -15.3 | -169.8 | 53.1 | 0 | 0 | 0 | 0 | 115.8 | E157 Y161 | E157-S159 PolarHBondContact O-N 3.09Å; S159-Y161 VanDerWaalsContact C-N 3.34Å; S159-Y161 PolarHBondContact O-N 3Å |
| 160 | R | 40.1 | Very low | 38.2 | Very low | 201 Ų | 201 | 139.4 Ų | 139.4 | 76% | 0.758 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -82.8 | 10.6 | -165.4 | -73.3 | -170.9 | -74 | 173.2 | -5.8 | 117.2 | T158 | T158-R160 PolarHBondContact O-N 3.43Š|
| 161 | Y | 38 | Very low | 38.4 | Very low | 227 Ų | 227 | 137.6 Ų | 137.6 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -120 | 5.9 | -179.2 | -80.7 | -77.4 | 0 | 0 | 0 | 115.4 | S159 | S159-Y161 VanDerWaalsContact C-N 3.34Å; S159-Y161 PolarHBondContact O-N 3Å |
| 162 | L | 43.6 | Very low | 39 | Very low | 145 Ų | 145 | 136.5 Ų | 136.5 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -111.7 | 4.1 | -179 | -72.2 | 171.3 | 0 | 0 | 0 | 114.6 | G164 | L162-G164 PolarHBondContact O-N 3.16Š| ||
| 163 | D | 41.7 | Very low | 39 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | trans | -85 | 57.2 | -178.4 | -161.3 | 19.5 | 0 | 0 | 0 | 112.3 | ||||
| 164 | G | 39.1 | Very low | 39.5 | Very low | 53 Ų | 53 | 141.4 Ų | 141.4 | 55% | 0.546 | 76% | 0.76 | S | S | . | * | S | Bend | trans | -165 | 122.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | L162 | L162-G164 PolarHBondContact O-N 3.16Š|
| 165 | Y | 31.6 | Very low | 39.7 | Very low | 239 Ų | 239 | 137 Ų | 137 | 94% | 0.937 | 75% | 0.75 | S | S | * | * | trans | 66.5 | 72.2 | 180 | -60 | -84.2 | 0 | 0 | 0 | 116.7 | ||||
| 166 | C | 32.6 | Very low | 39.7 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | -122.8 | 104.7 | 158.9 | -98.7 | 0 | 0 | 0 | 0 | 111.2 | S168 | C166-S168 PolarHBondContact O-N 3.45Š| ||
| 167 | P | 38.2 | Very low | 39.8 | Very low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | trans | -83.4 | 107.4 | 168.4 | 31.3 | -29.6 | 0 | 0 | 0 | 110.8 | G169 | P167-G169 PolarHBondContact O-N 3.5Š| ||
| 168 | S | 46.6 | Very low | 39.7 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 20.2 | 85.3 | 162 | -177.8 | 0 | 0 | 0 | 0 | 117.6 | C166 | C166-S168 PolarHBondContact O-N 3.45Š|
| 169 | G | 37.8 | Very low | 39.6 | Very low | 63 Ų | 63 | 133.6 Ų | 133.6 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -176.4 | 44.1 | 179 | 0 | 0 | 0 | 0 | 0 | 117.2 | P167 S171 | P167-G169 PolarHBondContact O-N 3.5Å; G169-S171 PolarHBondContact O-N 3.46Å |
| 170 | S | 46.5 | Very low | 39.6 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | 39.8 | 60 | 166.4 | 60.7 | 0 | 0 | 0 | 0 | 116.3 | L172 | S170-L172 PolarHBondContact O-N 2.89Š| ||
| 171 | S | 35.7 | Very low | 39.3 | Very low | 85 Ų | 85 | 134.6 Ų | 134.6 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | trans | -71.6 | 98.5 | 172.5 | -175.9 | 0 | 0 | 0 | 0 | 110.4 | G169 T173 | G169-S171 PolarHBondContact O-N 3.46Å; S171-T173 VanDerWaalsContact C-N 3.31Å; S171-T173 PolarHBondContact O-N 3.31Å; S171-T173 VanDerWaalsContact O-N 3.14Å; S171-T173 PolarHBondContact O-OG1 2.91Å; S171-T173 PolarHBondContact OG-OG1 2.97Å | ||
| 172 | L | 42.6 | Very low | 39.2 | Very low | 156 Ų | 156 | 129.5 Ų | 129.5 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | trans | -84.7 | 80.5 | 170.4 | -144.7 | 169 | 0 | 0 | 0 | 108.2 | S170 Y174 | S170-L172 PolarHBondContact O-N 2.89Å; L172-Y174 PolarHBondContact O-N 3.46Å | ||
| 173 | T | 36.9 | Very low | 39.3 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | -71.4 | 83 | -168.5 | -46.3 | 0 | 0 | 0 | 0 | 112.1 | S171 S175 | S171-T173 VanDerWaalsContact C-N 3.31Å; S171-T173 PolarHBondContact O-N 3.31Å; S171-T173 VanDerWaalsContact O-N 3.14Å; S171-T173 PolarHBondContact O-OG1 2.91Å; S171-T173 PolarHBondContact OG-OG1 2.97Å; T173-S175 PolarHBondContact O-N 3.33Å | ||
| 174 | Y | 40 | Very low | 39.1 | Very low | 173 Ų | 173 | 128.9 Ų | 128.9 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | trans | -83.1 | 96.8 | -179.3 | -159.8 | -94.8 | 0 | 0 | 0 | 111.2 | L172 A176 I179 | L172-Y174 PolarHBondContact O-N 3.46Å; Y174-A176 PolarHBondContact O-N 2.84Å; Y174-I179 WeakPolarHBondContact OH-CD1 3.31Å | ||
| 175 | S | 34.6 | Very low | 38.9 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | trans | -72.5 | 122.1 | 174 | -174.2 | 0 | 0 | 0 | 0 | 110.4 | T173 L177 | T173-S175 PolarHBondContact O-N 3.33Å; S175-L177 PolarHBondContact O-N 3.13Å | ||
| 176 | A | 40.6 | Very low | 39.3 | Very low | 93 Ų | 93 | 132.3 Ų | 132.3 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 18.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y174 | Y174-A176 PolarHBondContact O-N 2.84Š|
| 177 | L | 43.9 | Very low | 39.7 | Very low | 164 Ų | 164 | 132.1 Ų | 132.1 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.7 | 21.9 | -170.2 | -71.5 | 179.1 | 0 | 0 | 0 | 115.4 | S175 | S175-L177 PolarHBondContact O-N 3.13Š|
| 178 | D | 40.9 | Very low | 40.2 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -153.3 | 101.3 | 151.4 | -154.5 | -15.6 | 0 | 0 | 0 | 113.8 | K180 | D178-K180 PolarHBondContact OD1-N 3.1Š| ||
| 179 | I | 38.3 | Very low | 39.8 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | trans | -134.3 | 95.9 | 148.4 | -65.2 | -169.3 | 0 | 0 | 0 | 108.4 | Y174 C181 | Y174-I179 WeakPolarHBondContact OH-CD1 3.31Å; I179-C181 HydrophobicContact CG2-CB 3.95Å | ||
| 180 | K | 42.7 | Very low | 39.8 | Very low | 199 Ų | 199 | 137 Ų | 137 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | trans | -106.3 | 59.1 | 158.6 | -164 | -179.7 | -180 | 179.1 | 0 | 110.9 | D178 | D178-K180 PolarHBondContact OD1-N 3.1Š| ||
| 181 | C | 33.8 | Very low | 39.3 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | -92.2 | 146.5 | 175.7 | -74.9 | 0 | 0 | 0 | 0 | 112.3 | I179 | I179-C181 HydrophobicContact CG2-CB 3.95Š| ||
| 182 | S | 36.5 | Very low | 39.7 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | -83.5 | 156.6 | -171.8 | 47.8 | 0 | 0 | 0 | 0 | 113.6 | R184 | S182-R184 PolarHBondContact O-N 3.44Š| ||
| 183 | A | 44.2 | Very low | 39.6 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -76 | 113.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 184 | R | 38.3 | Very low | 39.9 | Very low | 197 Ų | 197 | 144.6 Ų | 144.6 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -157.4 | 145.1 | 140.8 | -134.7 | -171.9 | 153 | 123.6 | 1.3 | 113.8 | S182 | S182-R184 PolarHBondContact O-N 3.44Š| ||
| 185 | D | 34.1 | Very low | 40.1 | Very low | 123 Ų | 123 | 140 Ų | 140 | 66% | 0.658 | 77% | 0.77 | S | S | * | * | trans | 65 | 88 | 157.6 | -58.8 | -33.7 | 0 | 0 | 0 | 121.2 | ||||
| 186 | R | 39.5 | Very low | 40.7 | Very low | 242 Ų | 242 | 142 Ų | 142 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | trans | 73.2 | 159.5 | 142.4 | -101.1 | -175.7 | 164.7 | 173.9 | -3.2 | 120.4 | ||||
| 187 | P | 41.1 | Very low | 41.1 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | cis | -113.6 | -167.1 | -20.6 | 38.5 | -24.2 | 0 | 0 | 0 | 112.1 | ||||
| 188 | E | 49.8 | Very low | 41.2 | Very low | 192 Ų | 192 | 146.9 Ų | 146.9 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | trans | -53.3 | 135.5 | -173.8 | -65.9 | 136.2 | 111.2 | 0 | 0 | 115.2 | ||||
| 189 | C | 37.5 | Very low | 41.7 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | -130.7 | 129.5 | 157 | -163 | 0 | 0 | 0 | 0 | 107 | ||||
| 190 | P | 37.6 | Very low | 42.3 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 148.7 | 173.9 | 29.8 | -34.6 | 0 | 0 | 0 | 110 | ||
| 191 | E | 37.1 | Very low | 42.9 | Very low | 185 Ų | 185 | 141.2 Ų | 141.2 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 132.2 | -178.8 | -60.8 | -155.6 | 113.9 | 0 | 0 | 111.2 | E193 | E191-E193 PolarHBondContact O-N 2.88Š|
| 192 | P | 43.9 | Very low | 43.9 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 118.7 | 162.4 | 29.7 | -30.3 | 0 | 0 | 0 | 107.9 | D194 | P192-D194 PolarHBondContact O-N 2.93Š|
| 193 | E | 40 | Very low | 44.7 | Very low | 177 Ų | 177 | 135.4 Ų | 135.4 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 136.6 | 172.4 | -61.2 | -178.2 | 124 | 0 | 0 | 110 | E191 S195 | E191-E193 PolarHBondContact O-N 2.88Å; E193-S195 PolarHBondContact O-N 3.45Å; E193-S195 PolarHBondContact O-OG 3.49Å; E193-S195 VanDerWaalsContact O-OG 3.05Å |
| 194 | D | 42.6 | Very low | 45.3 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 83% | 0.829 | 68% | 0.683 | S | S | * | * | trans | -61.1 | 73 | -171.1 | -98.7 | -39.7 | 0 | 0 | 0 | 113.6 | P192 I196 | P192-D194 PolarHBondContact O-N 2.93Å; D194-I196 VanDerWaalsContact C-N 3.33Å; D194-I196 PolarHBondContact O-N 3.34Å; D194-I196 VanDerWaalsContact O-N 3.16Å | ||
| 195 | S | 44.8 | Very low | 46.3 | Very low | 76 Ų | 76 | 129.3 Ų | 129.3 | 53% | 0.531 | 67% | 0.669 | S | S | . | * | trans | -87.5 | 77.9 | 172.7 | 41.1 | 0 | 0 | 0 | 0 | 107.9 | E193 F197 | E193-S195 PolarHBondContact O-N 3.45Å; E193-S195 PolarHBondContact O-OG 3.49Å; E193-S195 VanDerWaalsContact O-OG 3.05Å; S195-F197 WeakPolarHBondContact O-CD2 3.38Å; S195-F197 PolarHBondContact O-N 2.88Å | ||
| 196 | I | 47 | Very low | 47.4 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 69% | 0.687 | 66% | 0.659 | S | S | * | * | trans | -67.2 | 80 | -179.1 | -52.6 | 176.8 | 0 | 0 | 0 | 109.9 | D194 F198 | D194-I196 VanDerWaalsContact C-N 3.33Å; D194-I196 PolarHBondContact O-N 3.34Å; D194-I196 VanDerWaalsContact O-N 3.16Å; I196-F198 HydrophobicContact CG2-CD2 4.35Å; I196-F198 HydrophobicContact CG2-CE2 4.44Å; I196-F198 PolarHBondContact O-N 2.91Å | ||
| 197 | F | 49.1 | Very low | 48.3 | Very low | 162 Ų | 162 | 117.6 Ų | 117.6 | 71% | 0.711 | 63% | 0.631 | S | S | * | * | trans | -72.3 | 109.3 | 171.3 | -69.3 | -73.6 | 0 | 0 | 0 | 109.3 | S195 V199 | S195-F197 WeakPolarHBondContact O-CD2 3.38Å; S195-F197 PolarHBondContact O-N 2.88Å; F197-V199 VanDerWaalsContact C-N 3.35Å; F197-V199 PolarHBondContact O-N 3.31Å | ||
| 198 | F | 46.8 | Very low | 48.8 | Very low | 198 Ų | 198 | 116.4 Ų | 116.4 | 87% | 0.868 | 63% | 0.625 | S | S | * | * | trans | -66.9 | 90.9 | 171.3 | -105.1 | -99.2 | 0 | 0 | 0 | 110.3 | I196 | I196-F198 HydrophobicContact CG2-CD2 4.35Å; I196-F198 HydrophobicContact CG2-CE2 4.44Å; I196-F198 PolarHBondContact O-N 2.91Å | ||
| 199 | V | 50.6 | Low | 49.1 | Very low | 70 Ų | 70 | 115 Ų | 115 | 42% | 0.424 | 61% | 0.612 | S | S | . | * | trans | -79.7 | 123.2 | 172.4 | 179.5 | 0 | 0 | 0 | 0 | 109 | F197 Q201 S203 | F197-V199 VanDerWaalsContact C-N 3.35Å; F197-V199 PolarHBondContact O-N 3.31Å; V199-Q201 PolarHBondContact O-N 2.87Å; V199-S203 WeakPolarHBondContact CG1-OG 3.41Å | ||
| 200 | P | 52.3 | Low | 49.6 | Very low | 67 Ų | 67 | 115.6 Ų | 115.6 | 44% | 0.435 | 60% | 0.602 | S | S | . | * | trans | -62.8 | 134.2 | 172.5 | -21.5 | 33.8 | 0 | 0 | 0 | 111 | D202 S203 | P200-D202 PolarHBondContact O-N 3.49Å; P200-S203 WeakPolarHBondContact O-CB 3.38Å; P200-S203 PolarHBondContact O-N 3.47Å; P200-S203 VanDerWaalsContact O-N 3.12Å; P200-S203 PolarHBondContact O-OG 3.39Å | ||
| 201 | Q | 54.7 | Low | 50.4 | Low | 197 Ų | 197 | 119.3 Ų | 119.3 | 92% | 0.921 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -25.7 | -170.7 | -68.1 | 178.7 | -16.6 | 0 | 0 | 114 | V199 | V199-Q201 PolarHBondContact O-N 2.87Š|
| 202 | D | 53.9 | Low | 51.2 | Low | 91 Ų | 91 | 118 Ų | 118 | 49% | 0.487 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.3 | 10.6 | -176.7 | -48.6 | -60.3 | 0 | 0 | 0 | 114.4 | P200 Q224 | P200-D202 PolarHBondContact O-N 3.49Å; D202-Q224 WeakPolarHBondContact O-CG 3.46Å; D202-Q224 PolarHBondContact O-NE2 3.04Å; D202-Q224 VanDerWaalsContact O-NE2 3.09Å |
| 203 | S | 53.8 | Low | 51.5 | Low | 21 Ų | 21 | 114.7 Ų | 114.7 | 15% | 0.147 | 59% | 0.588 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.9 | 131.9 | -175 | 64.3 | 0 | 0 | 0 | 0 | 113.9 | V199 P200 I222 | V199-S203 WeakPolarHBondContact CG1-OG 3.41Å; P200-S203 WeakPolarHBondContact O-CB 3.38Å; P200-S203 PolarHBondContact O-N 3.47Å; P200-S203 VanDerWaalsContact O-N 3.12Å; P200-S203 PolarHBondContact O-OG 3.39Å; S203-I222 WeakPolarHBondContact CA-O 3.34Å |
| 204 | I | 57.8 | Low | 52.2 | Low | 84 Ų | 84 | 110.7 Ų | 110.7 | 43% | 0.431 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.7 | 125.2 | 173.3 | -59.2 | 176.9 | 0 | 0 | 0 | 108.4 | V206 I222 Q224 | I204-V206 HydrophobicContact CG2-CG2 4.04Å; I204-I222 PolarHBondContact N-O 3.16Å; I204-I222 PolarHBondContact O-N 3.25Å; I204-Q224 HydrophobicContact CD1-CG 4.15Å; I204-Q224 HydrophobicContact CG1-CG 4.28Å |
| 205 | I | 59.6 | Low | 52.6 | Low | 88 Ų | 88 | 113.2 Ų | 113.2 | 45% | 0.451 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.4 | 113.5 | 175.3 | -51.7 | 179.2 | 0 | 0 | 0 | 108.8 | C219 Y221 | I205-C219 HydrophobicContact CG2-CB 4.18Å; I205-Y221 HydrophobicContact CD1-CD1 4.38Å; I205-Y221 HydrophobicContact CD1-CE1 3.86Å; I205-Y221 HydrophobicContact CG1-CD1 3.91Å; I205-Y221 HydrophobicContact CG1-CE1 3.88Å |
| 206 | V | 55.9 | Low | 52.7 | Low | 73 Ų | 73 | 111.2 Ų | 111.2 | 44% | 0.442 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.6 | 103.4 | 174.7 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | I204 C219 C220 I222 | I204-V206 HydrophobicContact CG2-CG2 4.04Å; V206-C219 WeakPolarHBondContact O-CA 3.41Å; V206-C220 PolarHBondContact N-O 3.22Å; V206-C220 PolarHBondContact O-N 3.28Å; V206-I222 HydrophobicContact CG2-CD1 3.79Å; V206-I222 HydrophobicContact CG2-CG1 4.41Å |
| 207 | C | 58 | Low | 53.1 | Low | 47 Ų | 47 | 112.9 Ų | 112.9 | 32% | 0.318 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.8 | 124.5 | 175.3 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | Y209 Y218 C219 | C207-Y209 HydrophobicContact CB-CE2 4.3Å; C207-Y218 WeakPolarHBondContact CA-O 3.1Å; C207-C219 HydrophobicContact CB-CB 4.16Å; C207-C219 WeakPolarHBondContact CB-SG 3.49Å; C207-C219 WeakPolarHBondContact SG-CB 3.15Å; C207-C219 CovalentContact SG-SG 2.05Å; C207-C219 PolarHBondContact SG-SG 2.92Å |
| 208 | S | 52.1 | Low | 53.5 | Low | 83 Ų | 83 | 112.2 Ų | 112.2 | 58% | 0.58 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.7 | 128.9 | 173.7 | -172.2 | 0 | 0 | 0 | 0 | 111 | Y218 | S208-Y218 PolarHBondContact N-O 2.87Å |
| 209 | Y | 56.6 | Low | 54.2 | Low | 163 Ų | 163 | 105.1 Ų | 105.1 | 64% | 0.639 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 110.4 | -177.8 | -69 | -85 | 0 | 0 | 0 | 111.3 | C207 Q211 | C207-Y209 HydrophobicContact CB-CE2 4.3Å; Y209-Q211 PolarHBondContact O-N 2.7Å |
| 210 | K | 48.5 | Very low | 54.4 | Low | 126 Ų | 126 | 105.6 Ų | 105.6 | 55% | 0.548 | 53% | 0.531 | S | S | . | . | trans | -88.4 | 106.7 | 173 | -165.2 | -171.8 | -174.3 | 177.8 | 0 | 109.7 | N212 S213 D216 | K210-N212 PolarHBondContact O-N 3.04Å; K210-S213 PolarHBondContact O-N 2.85Å; K210-S213 VanDerWaalsContact O-N 3.13Å; K210-D216 WeakPolarHBondContact CD-OD2 2.99Å; K210-D216 IonicContact NZ-OD2 2.85Å; K210-D216 PolarHBondContact NZ-OD2 3.08Å | ||
| 211 | Q | 54.7 | Low | 54.7 | Low | 193 Ų | 193 | 109.1 Ų | 109.1 | 90% | 0.902 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -10.8 | -167.2 | -69.8 | 169.7 | -24.8 | 0 | 0 | 116.2 | Y209 | Y209-Q211 PolarHBondContact O-N 2.7Š|
| 212 | N | 53.8 | Low | 54.9 | Low | 158 Ų | 158 | 104.2 Ų | 104.2 | 85% | 0.845 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 6.4 | -179.5 | -66.7 | 23.1 | 0 | 0 | 0 | 114.5 | K210 | K210-N212 PolarHBondContact O-N 3.04Š|
| 213 | S | 49.4 | Very low | 54.6 | Low | 45 Ų | 45 | 103.1 Ų | 103.1 | 32% | 0.315 | 51% | 0.51 | S | S | . | . | trans | -153.1 | 125.5 | 172.9 | 175.9 | 0 | 0 | 0 | 0 | 112.7 | K210 Y215 D216 | K210-S213 PolarHBondContact O-N 2.85Å; K210-S213 VanDerWaalsContact O-N 3.13Å; S213-Y215 PolarHBondContact O-N 3.01Å; S213-Y215 PolarHBondContact OG-N 2.97Å; S213-D216 PolarHBondContact OG-N 3.01Å | ||
| 214 | P | 54.3 | Low | 54.5 | Low | 94 Ų | 94 | 107.8 Ų | 107.8 | 61% | 0.61 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -12.6 | 177.8 | 29.5 | -34.2 | 0 | 0 | 0 | 113.9 | R217 | P214-R217 PolarHBondContact O-NE 2.96Š|
| 215 | Y | 51.6 | Low | 54.2 | Low | 207 Ų | 207 | 109.5 Ų | 109.5 | 81% | 0.812 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -15.5 | -178.3 | -57.7 | -73.5 | 0 | 0 | 0 | 113.8 | S213 R217 | S213-Y215 PolarHBondContact O-N 3.01Å; S213-Y215 PolarHBondContact OG-N 2.97Å; Y215-R217 PolarHBondContact O-N 3.39Å |
| 216 | D | 46.6 | Very low | 53.6 | Low | 34 Ų | 34 | 114 Ų | 114 | 18% | 0.182 | 56% | 0.557 | C | S | . | * | trans | -85.2 | 56.9 | -175.6 | -154.9 | 29.6 | 0 | 0 | 0 | 110.6 | K210 S213 Y218 | K210-D216 WeakPolarHBondContact CD-OD2 2.99Å; K210-D216 IonicContact NZ-OD2 2.85Å; K210-D216 PolarHBondContact NZ-OD2 3.08Å; S213-D216 PolarHBondContact OG-N 3.01Å; D216-Y218 WeakPolarHBondContact OD1-CE2 3.41Å; D216-Y218 VanDerWaalsContact OD1-CZ 3.23Å; D216-Y218 PolarHBondContact OD1-OH 3.04Å | ||
| 217 | R | 55.7 | Low | 53.3 | Low | 169 Ų | 169 | 112.9 Ų | 112.9 | 64% | 0.638 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.7 | 109 | -178.7 | -58.2 | -173.6 | -162.6 | -174.6 | 5.2 | 110.7 | P214 Y215 | P214-R217 PolarHBondContact O-NE 2.96Å; Y215-R217 PolarHBondContact O-N 3.39Å |
| 218 | Y | 57 | Low | 52.5 | Low | 148 Ų | 148 | 119.5 Ų | 119.5 | 58% | 0.58 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.9 | 110.1 | 171.1 | -59.7 | -85 | 0 | 0 | 0 | 109.3 | C207 S208 D216 | C207-Y218 WeakPolarHBondContact CA-O 3.1Å; S208-Y218 PolarHBondContact N-O 2.87Å; D216-Y218 WeakPolarHBondContact OD1-CE2 3.41Å; D216-Y218 VanDerWaalsContact OD1-CZ 3.23Å; D216-Y218 PolarHBondContact OD1-OH 3.04Å |
| 219 | C | 60.8 | Low | 52.5 | Low | 50 Ų | 50 | 127.4 Ų | 127.4 | 34% | 0.338 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.4 | 115 | 172 | -63.5 | 0 | 0 | 0 | 0 | 109.4 | I205 V206 C207 | I205-C219 HydrophobicContact CG2-CB 4.18Å; V206-C219 WeakPolarHBondContact O-CA 3.41Å; C207-C219 HydrophobicContact CB-CB 4.16Å; C207-C219 WeakPolarHBondContact CB-SG 3.49Å; C207-C219 WeakPolarHBondContact SG-CB 3.15Å; C207-C219 CovalentContact SG-SG 2.05Å; C207-C219 PolarHBondContact SG-SG 2.92Å |
| 220 | C | 54.8 | Low | 52.1 | Low | 80 Ų | 80 | 124.3 Ų | 124.3 | 54% | 0.541 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.1 | 127 | 176.6 | -66.7 | 0 | 0 | 0 | 0 | 109.7 | V206 I222 | V206-C220 PolarHBondContact N-O 3.22Å; V206-C220 PolarHBondContact O-N 3.28Å; C220-I222 PolarHBondContact O-N 2.69Å |
| 221 | Y | 60.3 | Low | 51.7 | Low | 141 Ų | 141 | 126.7 Ų | 126.7 | 55% | 0.553 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.2 | 107.4 | 173 | -62.7 | -87.2 | 0 | 0 | 0 | 109.2 | I205 | I205-Y221 HydrophobicContact CD1-CD1 4.38Å; I205-Y221 HydrophobicContact CD1-CE1 3.86Å; I205-Y221 HydrophobicContact CG1-CD1 3.91Å; I205-Y221 HydrophobicContact CG1-CE1 3.88Å |
| 222 | I | 58.8 | Low | 51.2 | Low | 93 Ų | 93 | 125.6 Ų | 125.6 | 48% | 0.477 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.2 | 105.6 | 175.2 | -56.6 | -178.4 | 0 | 0 | 0 | 107.8 | S203 I204 V206 C220 Q224 | S203-I222 WeakPolarHBondContact CA-O 3.34Å; I204-I222 PolarHBondContact N-O 3.16Å; I204-I222 PolarHBondContact O-N 3.25Å; V206-I222 HydrophobicContact CG2-CD1 3.79Å; V206-I222 HydrophobicContact CG2-CG1 4.41Å; C220-I222 PolarHBondContact O-N 2.69Å; I222-Q224 PolarHBondContact O-N 3.07Å |
| 223 | N | 47 | Very low | 50.5 | Low | 69 Ų | 69 | 124.1 Ų | 124.1 | 37% | 0.369 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.3 | 109.9 | 176.8 | -170.8 | -11.9 | 0 | 0 | 0 | 109.7 | I225 Q226 | N223-I225 PolarHBondContact O-N 3.47Å; N223-I225 VanDerWaalsContact O-N 3.09Å; N223-I225 PolarHBondContact OD1-N 3.02Å; N223-Q226 PolarHBondContact O-N 3.47Å |
| 224 | Q | 51.6 | Low | 50 | Low | 118 Ų | 118 | 128.1 Ų | 128.1 | 55% | 0.551 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -60.7 | -23.5 | -173.2 | -69.4 | -175.7 | 76.3 | 0 | 0 | 113.7 | D202 I204 I222 Q226 G227 | D202-Q224 WeakPolarHBondContact O-CG 3.46Å; D202-Q224 PolarHBondContact O-NE2 3.04Å; D202-Q224 VanDerWaalsContact O-NE2 3.09Å; I204-Q224 HydrophobicContact CD1-CG 4.15Å; I204-Q224 HydrophobicContact CG1-CG 4.28Å; I222-Q224 PolarHBondContact O-N 3.07Å; Q224-Q226 PolarHBondContact O-N 3.22Å; Q224-Q226 VanDerWaalsContact O-N 3.16Å; Q224-G227 PolarHBondContact O-N 3.15Å |
| 225 | I | 50.3 | Low | 49.2 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 62% | 0.615 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -61.8 | -24.8 | -178.8 | -58.8 | 174.7 | 0 | 0 | 0 | 111.9 | N223 G227 | N223-I225 PolarHBondContact O-N 3.47Å; N223-I225 VanDerWaalsContact O-N 3.09Å; N223-I225 PolarHBondContact OD1-N 3.02Å; I225-G227 PolarHBondContact O-N 3.01Å |
| 226 | Q | 47.6 | Very low | 49 | Very low | 182 Ų | 182 | 130.1 Ų | 130.1 | 85% | 0.85 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -83.7 | 16.5 | 175.7 | -156 | 138.5 | 36.1 | 0 | 0 | 113.7 | N223 Q224 | N223-Q226 PolarHBondContact O-N 3.47Å; Q224-Q226 PolarHBondContact O-N 3.22Å; Q224-Q226 VanDerWaalsContact O-N 3.16Å |
| 227 | G | 49 | Very low | 49.2 | Very low | 51 Ų | 51 | 135.1 Ų | 135.1 | 53% | 0.526 | 66% | 0.66 | S | S | . | * | G | 310 helix | trans | -79.3 | -3.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116 | Q224 I225 W229 | Q224-G227 PolarHBondContact O-N 3.15Å; I225-G227 PolarHBondContact O-N 3.01Å; G227-W229 PolarHBondContact O-N 2.98Å; G227-W229 VanDerWaalsContact O-N 3.16Å |
| 228 | R | 41.4 | Very low | 48.8 | Very low | 186 Ų | 186 | 133.2 Ų | 133.2 | 70% | 0.702 | 66% | 0.661 | S | S | * | * | trans | -78.9 | 95.8 | 171.3 | -95.4 | -165.3 | 72.2 | -141.7 | 6.2 | 111.6 | D230 | R228-D230 IonicContact CZ-OD2 2.66Å; R228-D230 VanDerWaalsContact CZ-OD2 3.27Å; R228-D230 IonicContact NE-OD2 3.27Å; R228-D230 PolarHBondContact NE-OD2 3.31Å; R228-D230 VanDerWaalsContact NH2-CB 3.27Å; R228-D230 VanDerWaalsContact NH2-CG 3.28Å; R228-D230 IonicContact NH2-OD2 2.69Å; R228-D230 PolarHBondContact NH2-OD2 3.18Å; R228-D230 PolarHBondContact O-N 3.16Å | ||
| 229 | W | 52.3 | Low | 48.3 | Very low | 248 Ų | 248 | 132.4 Ų | 132.4 | 94% | 0.939 | 67% | 0.666 | S | S | * | * | trans | -65.4 | 91.2 | 159.4 | -66.7 | 81.4 | 0 | 0 | 0 | 109.7 | G227 | G227-W229 PolarHBondContact O-N 2.98Å; G227-W229 VanDerWaalsContact O-N 3.16Å | ||
| 230 | D | 48.3 | Very low | 47.5 | Very low | 99 Ų | 99 | 137.5 Ų | 137.5 | 53% | 0.529 | 69% | 0.686 | S | S | . | * | trans | -163.1 | 41.9 | -176 | -103.9 | -27.6 | 0 | 0 | 0 | 113.8 | R228 | R228-D230 IonicContact CZ-OD2 2.66Å; R228-D230 VanDerWaalsContact CZ-OD2 3.27Å; R228-D230 IonicContact NE-OD2 3.27Å; R228-D230 PolarHBondContact NE-OD2 3.31Å; R228-D230 VanDerWaalsContact NH2-CB 3.27Å; R228-D230 VanDerWaalsContact NH2-CG 3.28Å; R228-D230 IonicContact NH2-OD2 2.69Å; R228-D230 PolarHBondContact NH2-OD2 3.18Å; R228-D230 PolarHBondContact O-N 3.16Å | ||
| 231 | H | 39.8 | Very low | 47 | Very low | 176 Ų | 176 | 141.3 Ų | 141.3 | 82% | 0.815 | 70% | 0.696 | S | S | * | * | trans | -141.6 | 78.6 | 166.1 | -81.9 | -53.7 | 0 | 0 | 0 | 112.1 | ||||
| 232 | E | 45.4 | Very low | 46.1 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | trans | -61.3 | 128.4 | 149.6 | 177.4 | 176.5 | -147.4 | 0 | 0 | 108.5 | I234 | E232-I234 HydrophobicContact CG-CG1 4.31Š| ||
| 233 | T | 39.4 | Very low | 45.1 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | trans | -143.8 | 99.8 | 167.2 | -53.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 234 | I | 37.2 | Very low | 45 | Very low | 130 Ų | 130 | 151.4 Ų | 151.4 | 67% | 0.667 | 75% | 0.754 | S | S | * | * | trans | -81.6 | 131.7 | 172.1 | -61.2 | 167 | 0 | 0 | 0 | 108.2 | E232 | E232-I234 HydrophobicContact CG-CG1 4.31Š| ||
| 235 | V | 37.5 | Very low | 44.4 | Very low | 211 Ų | 211 | 154.5 Ų | 154.5 | 100% | 1.279 | 77% | 0.772 | S | S | * | * | trans | 173.7 | 0 | 135.9 | 152.4 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 235 of 235 residues in 27.3 ms
(Link to these results)