| 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 | 34.8 | Very low | 54.2 | Low | 235 Ų | 235 | 135 Ų | 135 | 100% | 1.158 | 71% | 0.705 | S | S | * | * | 0 | 93.6 | 0 | -71.2 | 177.2 | 150.9 | 0 | 0 | 107.3 | |||||
| 2 | S | 39.4 | Very low | 57.2 | Low | 128 Ų | 128 | 123.8 Ų | 123.8 | 90% | 0.895 | 65% | 0.646 | S | S | * | * | trans | -113.5 | 75 | -174.6 | -59.7 | 0 | 0 | 0 | 0 | 110.1 | G4 | S2-G4 VanDerWaalsContact C-N 3.27Å; S2-G4 PolarHBondContact O-N 3.27Å | ||
| 3 | S | 40 | Very low | 59.6 | Low | 124 Ų | 124 | 120.1 Ų | 120.1 | 87% | 0.867 | 62% | 0.619 | S | S | * | * | trans | -78.8 | 77.5 | 161.2 | 49.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 4 | G | 37.9 | Very low | 61.7 | Low | 62 Ų | 62 | 111.5 Ų | 111.5 | 64% | 0.639 | 58% | 0.575 | S | S | * | * | trans | -101.8 | 108.2 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | S2 | S2-G4 VanDerWaalsContact C-N 3.27Å; S2-G4 PolarHBondContact O-N 3.27Å | ||
| 5 | F | 42.5 | Very low | 63.3 | Low | 197 Ų | 197 | 104.3 Ų | 104.3 | 86% | 0.864 | 54% | 0.539 | S | S | * | . | trans | 50.3 | 82.2 | 165.5 | -76 | -96 | 0 | 0 | 0 | 116.6 | E7 | F5-E7 VanDerWaalsContact C-N 3.32Å; F5-E7 PolarHBondContact O-N 3.42Å | ||
| 6 | Q | 49 | Very low | 64.5 | Low | 139 Ų | 139 | 100.8 Ų | 100.8 | 65% | 0.65 | 54% | 0.536 | S | S | * | . | trans | -68.1 | 97.3 | 151.8 | -69.3 | -170.1 | 8.9 | 0 | 0 | 107.5 | K8 | Q6-K8 PolarHBondContact O-N 3.24Š| ||
| 7 | E | 53.3 | Low | 65.4 | Low | 166 Ų | 166 | 95.8 Ų | 95.8 | 78% | 0.776 | 51% | 0.509 | S | S | * | . | trans | -60 | 78.9 | 164 | -69.7 | -177.8 | 164.5 | 0 | 0 | 108.9 | F5 C9 | F5-E7 VanDerWaalsContact C-N 3.32Å; F5-E7 PolarHBondContact O-N 3.42Å; E7-C9 VanDerWaalsContact C-N 3.29Å; E7-C9 WeakPolarHBondContact O-CA 3.28Å; E7-C9 PolarHBondContact O-N 3.37Å | ||
| 8 | K | 61.6 | Low | 66 | Low | 157 Ų | 157 | 94.5 Ų | 94.5 | 68% | 0.683 | 51% | 0.506 | S | S | * | . | trans | 11.4 | 68 | 174.5 | -75 | -179.5 | -180 | -178.5 | 0 | 114.1 | Q6 R10 | Q6-K8 PolarHBondContact O-N 3.24Å; K8-R10 PolarHBondContact O-N 2.93Å | ||
| 9 | C | 65.6 | Low | 66.2 | Low | 40 Ų | 40 | 98.4 Ų | 98.4 | 27% | 0.27 | 52% | 0.521 | S | S | . | . | trans | -64.6 | 110.1 | -175.1 | -66.7 | 0 | 0 | 0 | 0 | 109 | E7 K11 F80 | E7-C9 VanDerWaalsContact C-N 3.29Å; E7-C9 WeakPolarHBondContact O-CA 3.28Å; E7-C9 PolarHBondContact O-N 3.37Å; C9-K11 VanDerWaalsContact C-N 3.3Å; C9-F80 HydrophobicContact CB-CB 4.27Å; C9-F80 HydrophobicContact CB-CD1 4.01Å | ||
| 10 | R | 83.7 | Confident | 66.3 | Low | 142 Ų | 142 | 98.6 Ų | 98.6 | 54% | 0.536 | 52% | 0.522 | S | S | . | . | trans | -78.3 | -19.4 | 175 | -67.7 | -178.5 | -162.4 | 168.9 | 1.3 | 112.8 | K8 E52 Y53 | K8-R10 PolarHBondContact O-N 2.93Å; R10-E52 HydrophobicContact CB-CG 4.39Å; R10-E52 WeakPolarHBondContact O-CA 3.29Å; R10-Y53 WeakPolarHBondContact CB-O 2.96Å; R10-Y53 PolarHBondContact O-N 3.35Å | ||
| 11 | K | 88.2 | Confident | 66.7 | Low | 95 Ų | 95 | 94.5 Ų | 94.5 | 41% | 0.413 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 130.3 | -179 | -168.4 | 172.9 | -177.5 | 168.5 | 0 | 110.4 | C9 F50 A51 A81 | C9-K11 VanDerWaalsContact C-N 3.3Å; K11-F50 HydrophobicContact CD-CD1 4.39Å; K11-F50 VanDerWaalsContact CE-CD1 3.46Å; K11-F50 HydrophobicContact CG-CD1 4.36Å; K11-A51 CarbonylContact C-O 3.47Å; K11-A51 WeakPolarHBondContact CA-O 3.48Å; K11-A81 HydrophobicContact CB-CB 3.93Å; K11-A81 HydrophobicContact CD-CB 4.19Å; K11-A81 HydrophobicContact CG-CB 3.72Å; K11-A81 VanDerWaalsContact O-CB 3.24Å; K11-A81 WeakPolarHBondContact O-CB 3.5Å; K11-A81 PolarHBondContact O-N 2.97Å |
| 12 | L | 89.9 | Confident | 68.7 | Low | 0 Ų | 0 | 88.2 Ų | 88.2 | 0% | 0 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 142.8 | 174.9 | -58.5 | -169.7 | 0 | 0 | 0 | 110.2 | F50 A51 Y53 A59 A62 V63 V78 E79 F80 | L12-F50 VanDerWaalsContact O-CA 3.26Å; L12-F50 WeakPolarHBondContact O-CA 3.36Å; L12-A51 PolarHBondContact N-O 3.47Å; L12-A51 PolarHBondContact O-N 2.84Å; L12-Y53 HydrophobicContact CD1-CD2 3.95Å; L12-Y53 HydrophobicContact CD1-CE2 3.46Å; L12-Y53 VanDerWaalsContact CD1-CE2 3.46Å; L12-Y53 HydrophobicContact CG-CD2 4.15Å; L12-Y53 HydrophobicContact CG-CE2 4.1Å; L12-A59 HydrophobicContact CD1-CB 4.48Å; L12-A59 HydrophobicContact CD2-CB 3.94Å; L12-A59 HydrophobicContact CG-CB 4.24Å; L12-A62 HydrophobicContact CD1-CB 3.7Å; L12-V63 HydrophobicContact CD1-CG2 4Å; L12-V63 HydrophobicContact CD2-CG2 3.44Å; L12-V63 VanDerWaalsContact CD2-CG2 3.44Å; L12-V63 HydrophobicContact CG-CG2 4.35Å; L12-V78 HydrophobicContact CB-CG1 4.26Å; L12-V78 HydrophobicContact CD1-CG1 3.78Å; L12-E79 CarbonylContact C-O 3.54Å; L12-E79 WeakPolarHBondContact CA-O 3.48Å; L12-F80 HydrophobicContact CD2-CD1 3.65Å; L12-F80 HydrophobicContact CD2-CE1 4.04Å; L12-F80 HydrophobicContact CD2-CG 4.4Å |
| 13 | Y | 89 | Confident | 70.9 | Confident | 76 Ų | 76 | 86.9 Ų | 86.9 | 30% | 0.298 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 132.8 | 166.8 | 171 | -101.8 | 0 | 0 | 0 | 108.9 | F48 F50 V78 E79 | Y13-F48 HydrophobicContact CE2-CB 3.74Å; Y13-F48 HydrophobicContact CE2-CD2 4.43Å; Y13-F48 HydrophobicContact CE2-CG 4.35Å; Y13-F50 HydrophobicContact CD2-CD1 4.38Å; Y13-F50 AromaticContact CD2-CE1 3.71Å; Y13-F50 HydrophobicContact CD2-CE1 3.71Å; Y13-F50 HydrophobicContact CD2-CE2 4.4Å; Y13-F50 AromaticContact CD2-CZ 3.75Å; Y13-F50 HydrophobicContact CD2-CZ 3.75Å; Y13-F50 HydrophobicContact CE2-CZ 4.37Å; Y13-F50 HydrophobicContact CG-CE1 4.4Å; Y13-V78 CarbonylContact O-C 3.47Å; Y13-V78 WeakPolarHBondContact O-CA 3.48Å; Y13-E79 HydrophobicContact CD1-CB 4.49Å; Y13-E79 PolarHBondContact N-O 3.5Å; Y13-E79 PolarHBondContact O-N 3.42Å |
| 14 | I | 88.3 | Confident | 73.1 | Confident | 0 Ų | 0 | 85.8 Ų | 85.8 | 0% | 0 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 111.6 | 177.9 | -53.8 | 170.7 | 0 | 0 | 0 | 106.4 | L17 L26 L30 F48 A49 A51 I76 R77 V78 | I14-L17 HydrophobicContact CG2-CD1 4.21Å; I14-L17 HydrophobicContact CG2-CD2 3.9Å; I14-L17 HydrophobicContact CG2-CG 4.19Å; I14-L26 HydrophobicContact CG2-CD2 4.41Å; I14-L30 HydrophobicContact CD1-CD1 3.71Å; I14-L30 HydrophobicContact CD1-CD2 3.93Å; I14-L30 HydrophobicContact CD1-CG 4.31Å; I14-F48 CarbonylContact O-C 3.55Å; I14-F48 WeakPolarHBondContact O-CA 3.4Å; I14-F48 WeakPolarHBondContact O-CB 3.19Å; I14-A49 HydrophobicContact CB-CB 4.23Å; I14-A49 HydrophobicContact CD1-CB 4.48Å; I14-A49 PolarHBondContact N-O 2.86Å; I14-A49 PolarHBondContact O-N 3.04Å; I14-A51 HydrophobicContact CD1-CB 4.09Å; I14-I76 HydrophobicContact CG2-CB 4.27Å; I14-R77 CarbonylContact C-O 3.58Å; I14-R77 WeakPolarHBondContact CA-O 3.19Å; I14-V78 HydrophobicContact CG1-CG2 4.4Å |
| 15 | G | 86.7 | Confident | 75.4 | Confident | 3 Ų | 3 | 84.8 Ų | 84.8 | 3% | 0.031 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 171.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | R77 | G15-R77 PolarHBondContact N-O 2.89Å; G15-R77 PolarHBondContact O-N 3.01Å |
| 16 | G | 81.7 | Confident | 77.4 | Confident | 48 Ų | 48 | 75.4 Ų | 75.4 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | trans | 78.8 | 23.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G47 | G16-G47 PolarHBondContact N-O 3.01Š| ||
| 17 | L | 80.3 | Confident | 79.3 | Confident | 16 Ų | 16 | 71.1 Ų | 71.1 | 8% | 0.084 | 36% | 0.355 | C | S | . | . | trans | -81.7 | 136.2 | 174.5 | -54.2 | 172.8 | 0 | 0 | 0 | 109.4 | I14 I21 L26 G47 A49 I76 | I14-L17 HydrophobicContact CG2-CD1 4.21Å; I14-L17 HydrophobicContact CG2-CD2 3.9Å; I14-L17 HydrophobicContact CG2-CG 4.19Å; L17-I21 HydrophobicContact CB-CB 4.48Å; L17-I21 HydrophobicContact CB-CD1 3.95Å; L17-I21 HydrophobicContact CD2-CD1 3.65Å; L17-I21 HydrophobicContact CD2-CG2 4.27Å; L17-I21 HydrophobicContact CG-CD1 4.43Å; L17-L26 HydrophobicContact CD1-CD1 3.77Å; L17-L26 HydrophobicContact CD2-CD1 4.36Å; L17-L26 HydrophobicContact CD2-CD2 3.79Å; L17-G47 PolarHBondContact N-O 3.29Å; L17-G47 VanDerWaalsContact N-O 3.09Å; L17-G47 WeakPolarHBondContact O-CA 3.21Å; L17-A49 HydrophobicContact CD1-CB 3.6Å; L17-I76 HydrophobicContact CD2-CB 4.46Å; L17-I76 HydrophobicContact CD2-CG2 3.59Å | ||
| 18 | V | 76.2 | Confident | 81 | Confident | 73 Ų | 73 | 71.5 Ų | 71.5 | 44% | 0.442 | 35% | 0.35 | S | S | . | . | trans | -79.3 | 153.6 | 168.3 | 174.6 | 0 | 0 | 0 | 0 | 108.5 | N20 I21 S74 | V18-N20 VanDerWaalsContact CB-OD1 3.23Å; V18-N20 WeakPolarHBondContact CB-OD1 3.49Å; V18-N20 WeakPolarHBondContact CG1-OD1 3.22Å; V18-N20 PolarHBondContact O-N 3.09Å; V18-I21 PolarHBondContact O-N 2.7Å; V18-S74 WeakPolarHBondContact CB-OG 3.47Å; V18-S74 WeakPolarHBondContact CG2-OG 3.34Å | ||
| 19 | E | 69.4 | Low | 82.1 | Confident | 169 Ų | 169 | 66.5 Ų | 66.5 | 79% | 0.79 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -16.4 | -177.5 | -66.2 | 178.8 | 173.8 | 0 | 0 | 114.2 | P46 | E19-P46 HydrophobicContact CG-CB 3.89Š|
| 20 | N | 68.9 | Low | 83.1 | Confident | 102 Ų | 102 | 64.7 Ų | 64.7 | 55% | 0.545 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -5.7 | -179.6 | 65.2 | -6.9 | 0 | 0 | 0 | 114.8 | V18 L22 | V18-N20 VanDerWaalsContact CB-OD1 3.23Å; V18-N20 WeakPolarHBondContact CB-OD1 3.49Å; V18-N20 WeakPolarHBondContact CG1-OD1 3.22Å; V18-N20 PolarHBondContact O-N 3.09Å; N20-L22 PolarHBondContact O-N 2.75Å |
| 21 | I | 73.6 | Confident | 83.3 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | trans | -77.8 | 121.3 | -175.8 | -59.7 | -178.3 | 0 | 0 | 0 | 110.4 | L17 V18 L26 | L17-I21 HydrophobicContact CB-CB 4.48Å; L17-I21 HydrophobicContact CB-CD1 3.95Å; L17-I21 HydrophobicContact CD2-CD1 3.65Å; L17-I21 HydrophobicContact CD2-CG2 4.27Å; L17-I21 HydrophobicContact CG-CD1 4.43Å; V18-I21 PolarHBondContact O-N 2.7Å; I21-L26 HydrophobicContact CG2-CD1 4.32Å; I21-L26 HydrophobicContact CG2-CD2 4.21Å; I21-L26 HydrophobicContact CG2-CG 3.93Å | ||
| 22 | L | 77.6 | Confident | 83.2 | Confident | 103 Ų | 103 | 63.5 Ų | 63.5 | 54% | 0.539 | 32% | 0.324 | S | S | . | . | trans | -80.6 | 150.4 | 178.3 | -64.1 | 174.5 | 0 | 0 | 0 | 110.9 | N20 D24 D25 L26 | N20-L22 PolarHBondContact O-N 2.75Å; L22-D24 PolarHBondContact O-N 2.89Å; L22-D25 PolarHBondContact O-N 3.29Å; L22-L26 PolarHBondContact O-N 3.27Å | ||
| 23 | K | 85.1 | Confident | 83 | Confident | 99 Ų | 99 | 64 Ų | 64 | 43% | 0.43 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -53.5 | -38.3 | 170.3 | 175 | 173.9 | 167 | 162.4 | 0 | 110.7 | D25 L26 V27 V39 V41 | K23-D25 VanDerWaalsContact C-N 3.34Å; K23-D25 PolarHBondContact O-N 3.42Å; K23-L26 PolarHBondContact O-N 3.01Å; K23-V27 HydrophobicContact CG-CG2 4Å; K23-V27 WeakPolarHBondContact O-CB 3.23Å; K23-V27 WeakPolarHBondContact O-CG2 3.3Å; K23-V27 PolarHBondContact O-N 3.36Å; K23-V39 WeakPolarHBondContact CE-O 2.95Å; K23-V39 HydrophobicContact CG-CG1 4.23Å; K23-V39 PolarHBondContact NZ-O 2.76Å; K23-V41 HydrophobicContact CB-CG2 3.72Å; K23-V41 HydrophobicContact CG-CG2 4.17Å |
| 24 | D | 86.1 | Confident | 82.9 | Confident | 102 Ų | 102 | 61.2 Ų | 61.2 | 55% | 0.545 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.8 | -39.4 | -177.5 | -59.2 | -67.4 | 0 | 0 | 0 | 112.9 | L22 V27 R28 | L22-D24 PolarHBondContact O-N 2.89Å; D24-V27 PolarHBondContact O-N 3.24Å; D24-R28 VanDerWaalsContact O-CG 3.28Å; D24-R28 WeakPolarHBondContact O-CG 3.39Å; D24-R28 PolarHBondContact O-N 2.87Å |
| 25 | D | 85.8 | Confident | 82.9 | Confident | 40 Ų | 40 | 67.7 Ų | 67.7 | 21% | 0.214 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.6 | -42.7 | 178.4 | -63.9 | -31.5 | 0 | 0 | 0 | 110.9 | L22 K23 V27 R28 E29 V71 C72 | L22-D25 PolarHBondContact O-N 3.29Å; K23-D25 VanDerWaalsContact C-N 3.34Å; K23-D25 PolarHBondContact O-N 3.42Å; D25-V27 VanDerWaalsContact C-N 3.35Å; D25-R28 PolarHBondContact O-N 2.83Å; D25-E29 PolarHBondContact O-N 2.93Å; D25-E29 VanDerWaalsContact O-N 3.08Å; D25-V71 HydrophobicContact CB-CG1 4.41Å; D25-C72 PolarHBondContact OD2-SG 3.46Å |
| 26 | L | 86.3 | Confident | 83 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 174.8 | -67.4 | 175.1 | 0 | 0 | 0 | 111.3 | I14 L17 I21 L22 K23 R28 E29 L30 V41 A49 | I14-L26 HydrophobicContact CG2-CD2 4.41Å; L17-L26 HydrophobicContact CD1-CD1 3.77Å; L17-L26 HydrophobicContact CD2-CD1 4.36Å; L17-L26 HydrophobicContact CD2-CD2 3.79Å; I21-L26 HydrophobicContact CG2-CD1 4.32Å; I21-L26 HydrophobicContact CG2-CD2 4.21Å; I21-L26 HydrophobicContact CG2-CG 3.93Å; L22-L26 PolarHBondContact O-N 3.27Å; K23-L26 PolarHBondContact O-N 3.01Å; L26-R28 VanDerWaalsContact C-N 3.3Å; L26-R28 PolarHBondContact O-N 2.85Å; L26-E29 PolarHBondContact O-N 3.31Å; L26-L30 HydrophobicContact CB-CD1 4.19Å; L26-L30 WeakPolarHBondContact O-CB 3.37Å; L26-L30 VanDerWaalsContact O-CD1 3.3Å; L26-L30 WeakPolarHBondContact O-CD1 3.39Å; L26-L30 WeakPolarHBondContact O-CG 3.18Å; L26-L30 PolarHBondContact O-N 3.3Å; L26-V41 HydrophobicContact CD1-CG2 3.9Å; L26-A49 HydrophobicContact CD1-CB 3.7Å |
| 27 | V | 88.5 | Confident | 83.4 | Confident | 49 Ų | 49 | 71.1 Ų | 71.1 | 30% | 0.297 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 176.9 | 170.2 | 0 | 0 | 0 | 0 | 110.3 | K23 D24 D25 E29 S31 L36 V39 | K23-V27 HydrophobicContact CG-CG2 4Å; K23-V27 WeakPolarHBondContact O-CB 3.23Å; K23-V27 WeakPolarHBondContact O-CG2 3.3Å; K23-V27 PolarHBondContact O-N 3.36Å; D24-V27 PolarHBondContact O-N 3.24Å; D25-V27 VanDerWaalsContact C-N 3.35Å; V27-E29 PolarHBondContact O-N 2.97Å; V27-S31 WeakPolarHBondContact O-CA 3Å; V27-S31 WeakPolarHBondContact O-CB 3.5Å; V27-S31 PolarHBondContact O-N 3.08Å; V27-L36 HydrophobicContact CG1-CD1 4.45Å; V27-V39 HydrophobicContact CG2-CB 4.07Å; V27-V39 HydrophobicContact CG2-CG1 4.21Å; V27-V39 HydrophobicContact CG2-CG2 3.96Å |
| 28 | R | 87.6 | Confident | 83.8 | Confident | 174 Ų | 174 | 74.7 Ų | 74.7 | 66% | 0.657 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.8 | -43.2 | 177.6 | -75.1 | 171.1 | 178.4 | -163.5 | -0.1 | 112.8 | D24 D25 L26 K32 | D24-R28 VanDerWaalsContact O-CG 3.28Å; D24-R28 WeakPolarHBondContact O-CG 3.39Å; D24-R28 PolarHBondContact O-N 2.87Å; D25-R28 PolarHBondContact O-N 2.83Å; L26-R28 VanDerWaalsContact C-N 3.3Å; L26-R28 PolarHBondContact O-N 2.85Å; R28-K32 WeakPolarHBondContact O-CG 3.15Å |
| 29 | E | 85.8 | Confident | 84.4 | Confident | 51 Ų | 51 | 71.5 Ų | 71.5 | 24% | 0.238 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -74.9 | -42.7 | -179.7 | -66.7 | -53.1 | 132.8 | 0 | 0 | 112.6 | D25 L26 V27 K32 L66 V71 | D25-E29 PolarHBondContact O-N 2.93Å; D25-E29 VanDerWaalsContact O-N 3.08Å; L26-E29 PolarHBondContact O-N 3.31Å; V27-E29 PolarHBondContact O-N 2.97Å; E29-K32 WeakPolarHBondContact O-CB 3.41Å; E29-K32 PolarHBondContact O-N 3.08Å; E29-K32 IonicContact OE1-NZ 2.7Å; E29-K32 PolarHBondContact OE1-NZ 3.47Å; E29-K32 IonicContact OE2-NZ 2.75Å; E29-K32 PolarHBondContact OE2-NZ 3.13Å; E29-L66 HydrophobicContact CB-CD2 4.34Å; E29-V71 HydrophobicContact CG-CG1 4.19Å; E29-V71 HydrophobicContact CG-CG2 4.03Å |
| 30 | L | 86.6 | Confident | 85.3 | Confident | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67 | -37.6 | 178.3 | -68.6 | 165.6 | 0 | 0 | 0 | 111.8 | I14 L26 K32 C33 G34 L36 V39 A51 Y53 L66 | I14-L30 HydrophobicContact CD1-CD1 3.71Å; I14-L30 HydrophobicContact CD1-CD2 3.93Å; I14-L30 HydrophobicContact CD1-CG 4.31Å; L26-L30 HydrophobicContact CB-CD1 4.19Å; L26-L30 WeakPolarHBondContact O-CB 3.37Å; L26-L30 VanDerWaalsContact O-CD1 3.3Å; L26-L30 WeakPolarHBondContact O-CD1 3.39Å; L26-L30 WeakPolarHBondContact O-CG 3.18Å; L26-L30 PolarHBondContact O-N 3.3Å; L30-K32 PolarHBondContact O-N 3Å; L30-K32 VanDerWaalsContact O-N 3.16Å; L30-C33 PolarHBondContact O-N 3.4Å; L30-G34 PolarHBondContact O-N 3.16Å; L30-L36 HydrophobicContact CB-CD1 3.7Å; L30-L36 HydrophobicContact CB-CD2 3.83Å; L30-L36 HydrophobicContact CB-CG 4.28Å; L30-L36 HydrophobicContact CD1-CD2 4.32Å; L30-V39 HydrophobicContact CD1-CG1 4.48Å; L30-V39 HydrophobicContact CD1-CG2 4.3Å; L30-A51 HydrophobicContact CD1-CB 3.62Å; L30-A51 HydrophobicContact CD2-CB 4.23Å; L30-Y53 WeakPolarHBondContact CA-OH 3.11Å; L30-Y53 WeakPolarHBondContact CB-OH 3.43Å; L30-Y53 HydrophobicContact CD2-CE2 4.3Å; L30-Y53 WeakPolarHBondContact CD2-OH 2.83Å; L30-Y53 PolarHBondContact O-OH 3.34Å; L30-Y53 VanDerWaalsContact O-OH 3.08Å; L30-L66 HydrophobicContact CD2-CD1 3.58Å; L30-L66 HydrophobicContact CG-CD1 4.3Å |
| 31 | S | 87.8 | Confident | 86.2 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 51% | 0.51 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.3 | 179.1 | -175.1 | 0 | 0 | 0 | 0 | 113.2 | V27 C33 | V27-S31 WeakPolarHBondContact O-CA 3Å; V27-S31 WeakPolarHBondContact O-CB 3.5Å; V27-S31 PolarHBondContact O-N 3.08Å; S31-C33 VanDerWaalsContact C-N 3.28Å |
| 32 | K | 87.2 | Confident | 86.7 | Confident | 139 Ų | 139 | 66.3 Ų | 66.3 | 60% | 0.604 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -26.6 | 173.4 | -65.1 | 172 | -168.5 | 168.7 | 0 | 112.4 | R28 E29 L30 | R28-K32 WeakPolarHBondContact O-CG 3.15Å; E29-K32 WeakPolarHBondContact O-CB 3.41Å; E29-K32 PolarHBondContact O-N 3.08Å; E29-K32 IonicContact OE1-NZ 2.7Å; E29-K32 PolarHBondContact OE1-NZ 3.47Å; E29-K32 IonicContact OE2-NZ 2.75Å; E29-K32 PolarHBondContact OE2-NZ 3.13Å; L30-K32 PolarHBondContact O-N 3Å; L30-K32 VanDerWaalsContact O-N 3.16Å |
| 33 | C | 84.3 | Confident | 86.5 | Confident | 12 Ų | 12 | 72.4 Ų | 72.4 | 8% | 0.081 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -34.7 | -176.7 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | L30 S31 A62 | L30-C33 PolarHBondContact O-N 3.4Å; S31-C33 VanDerWaalsContact C-N 3.28Å; C33-A62 HydrophobicContact CB-CB 3.79Å |
| 34 | G | 86.2 | Confident | 86 | Confident | 17 Ų | 17 | 74.6 Ų | 74.6 | 18% | 0.175 | 36% | 0.363 | C | S | . | . | S | Bend | trans | 175.2 | -170.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L30 | L30-G34 PolarHBondContact O-N 3.16Š|
| 35 | E | 88.7 | Confident | 85.4 | Confident | 135 Ų | 135 | 73.6 Ų | 73.6 | 63% | 0.631 | 36% | 0.362 | S | S | * | . | trans | -80.4 | 128 | -177.5 | -168.5 | -178.6 | 177.1 | 0 | 0 | 111.7 | Y53 V54 | E35-Y53 WeakPolarHBondContact O-CA 3.38Å; E35-Y53 WeakPolarHBondContact O-CD1 3.47Å; E35-V54 HydrophobicContact CB-CB 4.47Å; E35-V54 HydrophobicContact CB-CG2 3.99Å; E35-V54 HydrophobicContact CG-CG2 3.8Å; E35-V54 PolarHBondContact O-N 2.83Å | ||
| 36 | L | 90.2 | Very high | 84.8 | Confident | 36 Ų | 36 | 75.2 Ų | 75.2 | 19% | 0.188 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 131.5 | -178.4 | -64.5 | 154.8 | 0 | 0 | 0 | 109.9 | V27 L30 V39 A51 E52 Y53 | V27-L36 HydrophobicContact CG1-CD1 4.45Å; L30-L36 HydrophobicContact CB-CD1 3.7Å; L30-L36 HydrophobicContact CB-CD2 3.83Å; L30-L36 HydrophobicContact CB-CG 4.28Å; L30-L36 HydrophobicContact CD1-CD2 4.32Å; L36-V39 HydrophobicContact CB-CG2 4.32Å; L36-V39 HydrophobicContact CD1-CG2 4.04Å; L36-V39 HydrophobicContact CD2-CG2 4.02Å; L36-V39 HydrophobicContact CG-CG2 4.35Å; L36-A51 HydrophobicContact CD2-CB 4.13Å; L36-E52 CarbonylContact C-O 3.47Å; L36-E52 WeakPolarHBondContact CA-O 3.49Å; L36-Y53 HydrophobicContact CD2-CD1 4.13Å; L36-Y53 HydrophobicContact CD2-CD2 4.35Å; L36-Y53 HydrophobicContact CD2-CE1 3.75Å; L36-Y53 HydrophobicContact CD2-CE2 3.97Å; L36-Y53 HydrophobicContact CD2-CG 4.43Å; L36-Y53 HydrophobicContact CG-CE1 4.24Å |
| 37 | V | 89.9 | Confident | 84.4 | Confident | 87 Ų | 87 | 76 Ų | 76 | 53% | 0.527 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -52.5 | 170.8 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | E52 V54 | V37-E52 HydrophobicContact CB-CB 4.24Å; V37-E52 HydrophobicContact CB-CG 4.09Å; V37-E52 HydrophobicContact CG2-CG 4.38Å; V37-E52 PolarHBondContact N-O 2.81Å; V37-V54 HydrophobicContact CG2-CB 4.29Å; V37-V54 HydrophobicContact CG2-CG2 3.6Å |
| 38 | D | 88.4 | Confident | 84.3 | Confident | 91 Ų | 91 | 75.1 Ų | 75.1 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 150.8 | 179 | -168.8 | 20.5 | 0 | 0 | 0 | 111 | E52 | D38-E52 PolarHBondContact O-N 3.09Å |
| 39 | V | 89.4 | Confident | 84.3 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 4% | 0.036 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 117.3 | 174.1 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | K23 V27 L30 L36 F50 A51 | K23-V39 WeakPolarHBondContact CE-O 2.95Å; K23-V39 HydrophobicContact CG-CG1 4.23Å; K23-V39 PolarHBondContact NZ-O 2.76Å; V27-V39 HydrophobicContact CG2-CB 4.07Å; V27-V39 HydrophobicContact CG2-CG1 4.21Å; V27-V39 HydrophobicContact CG2-CG2 3.96Å; L30-V39 HydrophobicContact CD1-CG1 4.48Å; L30-V39 HydrophobicContact CD1-CG2 4.3Å; L36-V39 HydrophobicContact CB-CG2 4.32Å; L36-V39 HydrophobicContact CD1-CG2 4.04Å; L36-V39 HydrophobicContact CD2-CG2 4.02Å; L36-V39 HydrophobicContact CG-CG2 4.35Å; V39-F50 WeakPolarHBondContact CA-O 3.04Å; V39-A51 HydrophobicContact CG2-CB 4.38Å |
| 40 | W | 87.9 | Confident | 84.5 | Confident | 135 Ų | 135 | 66.4 Ų | 66.4 | 51% | 0.511 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 112.5 | 179.9 | 178.3 | 56.6 | 0 | 0 | 0 | 110.1 | A42 F48 A49 F50 | W40-A42 HydrophobicContact CH2-CB 3.85Å; W40-A42 HydrophobicContact CZ2-CB 3.9Å; W40-A42 HydrophobicContact CZ3-CB 4.28Å; W40-F48 HydrophobicContact CH2-CE2 4.2Å; W40-F48 HydrophobicContact CZ3-CE2 4.25Å; W40-A49 CarbonylContact O-C 3.55Å; W40-A49 VanDerWaalsContact O-CA 3.25Å; W40-A49 WeakPolarHBondContact O-CA 3.44Å; W40-A49 WeakPolarHBondContact O-CB 3.34Å; W40-F50 HydrophobicContact CE3-CB 4.2Å; W40-F50 AromaticContact CE3-CD2 3.3Å; W40-F50 HydrophobicContact CE3-CD2 3.3Å; W40-F50 AromaticContact CE3-CE2 3.99Å; W40-F50 HydrophobicContact CE3-CE2 3.99Å; W40-F50 HydrophobicContact CE3-CG 4.1Å; W40-F50 AromaticContact CZ3-CD2 3.36Å; W40-F50 HydrophobicContact CZ3-CD2 3.36Å; W40-F50 AromaticContact CZ3-CE2 3.53Å; W40-F50 HydrophobicContact CZ3-CE2 3.53Å; W40-F50 HydrophobicContact CZ3-CG 4.44Å; W40-F50 PolarHBondContact N-O 2.85Å; W40-F50 PolarHBondContact O-N 3.07Å |
| 41 | V | 87 | Confident | 84.7 | Confident | 36 Ų | 36 | 66.4 Ų | 66.4 | 22% | 0.218 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 121.1 | 171.8 | -177 | 0 | 0 | 0 | 0 | 108.2 | K23 L26 A49 | K23-V41 HydrophobicContact CB-CG2 3.72Å; K23-V41 HydrophobicContact CG-CG2 4.17Å; L26-V41 HydrophobicContact CD1-CG2 3.9Å; V41-A49 HydrophobicContact CB-CB 4.4Å; V41-A49 HydrophobicContact CG1-CB 4.5Å; V41-A49 HydrophobicContact CG2-CB 4.09Å |
| 42 | A | 83.5 | Confident | 84.8 | Confident | 4 Ų | 4 | 66.6 Ų | 66.6 | 3% | 0.033 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 134.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | W40 F48 | W40-A42 HydrophobicContact CH2-CB 3.85Å; W40-A42 HydrophobicContact CZ2-CB 3.9Å; W40-A42 HydrophobicContact CZ3-CB 4.28Å; A42-F48 HydrophobicContact CB-CD1 4.03Å; A42-F48 HydrophobicContact CB-CD2 3.29Å; A42-F48 HydrophobicContact CB-CE1 3.66Å; A42-F48 HydrophobicContact CB-CE2 2.88Å; A42-F48 HydrophobicContact CB-CG 3.87Å; A42-F48 HydrophobicContact CB-CZ 3.08Å; A42-F48 WeakPolarHBondContact CB-O 3.48Å; A42-F48 PolarHBondContact N-O 2.81Å |
| 43 | R | 73.9 | Confident | 84.9 | Confident | 231 Ų | 231 | 60 Ų | 60 | 87% | 0.872 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -8.7 | -180 | -63.7 | -178.9 | 175.7 | 177.5 | -2.7 | 112.6 | P45 | R43-P45 CarbonylContact C-O 3.52Š|
| 44 | N | 74 | Confident | 85.1 | Confident | 146 Ų | 146 | 62.1 Ų | 62.1 | 78% | 0.781 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -153.3 | 110.1 | 179.9 | -167.8 | 15 | 0 | 0 | 0 | 112.1 | ||
| 45 | P | 74.6 | Confident | 85.2 | Confident | 81 Ų | 81 | 69.1 Ų | 69.1 | 53% | 0.526 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -54.3 | 154.5 | -8.8 | 4 | -10.6 | 0 | 0 | 0 | 114.9 | R43 F48 | R43-P45 CarbonylContact C-O 3.52Å; P45-F48 HydrophobicContact CB-CD1 4.34Å; P45-F48 HydrophobicContact CB-CE1 3.78Å; P45-F48 HydrophobicContact CG-CD1 4.19Å; P45-F48 HydrophobicContact CG-CE1 3.39Å; P45-F48 HydrophobicContact CG-CZ 4.12Å; P45-F48 VanDerWaalsContact O-CD1 3.25Å; P45-F48 WeakPolarHBondContact O-CD1 3.26Å; P45-F48 WeakPolarHBondContact O-CE1 3.18Å |
| 46 | P | 73 | Confident | 85.1 | Confident | 74 Ų | 74 | 63.9 Ų | 63.9 | 48% | 0.481 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | 147.5 | 169.2 | 27.4 | -31.7 | 0 | 0 | 0 | 110.4 | E19 | E19-P46 HydrophobicContact CG-CB 3.89Š|
| 47 | G | 78.1 | Confident | 85 | Confident | 18 Ų | 18 | 66 Ų | 66 | 19% | 0.186 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.9 | 15.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117 | G16 L17 | G16-G47 PolarHBondContact N-O 3.01Å; L17-G47 PolarHBondContact N-O 3.29Å; L17-G47 VanDerWaalsContact N-O 3.09Å; L17-G47 WeakPolarHBondContact O-CA 3.21Å |
| 48 | F | 85.8 | Confident | 85 | Confident | 30 Ų | 30 | 63.4 Ų | 63.4 | 13% | 0.132 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 153.1 | 170.9 | 66.9 | -81.2 | 0 | 0 | 0 | 113.6 | Y13 I14 W40 A42 P45 F50 | Y13-F48 HydrophobicContact CE2-CB 3.74Å; Y13-F48 HydrophobicContact CE2-CD2 4.43Å; Y13-F48 HydrophobicContact CE2-CG 4.35Å; I14-F48 CarbonylContact O-C 3.55Å; I14-F48 WeakPolarHBondContact O-CA 3.4Å; I14-F48 WeakPolarHBondContact O-CB 3.19Å; W40-F48 HydrophobicContact CH2-CE2 4.2Å; W40-F48 HydrophobicContact CZ3-CE2 4.25Å; A42-F48 HydrophobicContact CB-CD1 4.03Å; A42-F48 HydrophobicContact CB-CD2 3.29Å; A42-F48 HydrophobicContact CB-CE1 3.66Å; A42-F48 HydrophobicContact CB-CE2 2.88Å; A42-F48 HydrophobicContact CB-CG 3.87Å; A42-F48 HydrophobicContact CB-CZ 3.08Å; A42-F48 WeakPolarHBondContact CB-O 3.48Å; A42-F48 PolarHBondContact N-O 2.81Å; P45-F48 HydrophobicContact CB-CD1 4.34Å; P45-F48 HydrophobicContact CB-CE1 3.78Å; P45-F48 HydrophobicContact CG-CD1 4.19Å; P45-F48 HydrophobicContact CG-CE1 3.39Å; P45-F48 HydrophobicContact CG-CZ 4.12Å; P45-F48 VanDerWaalsContact O-CD1 3.25Å; P45-F48 WeakPolarHBondContact O-CD1 3.26Å; P45-F48 WeakPolarHBondContact O-CE1 3.18Å; F48-F50 HydrophobicContact CD2-CD2 4.14Å; F48-F50 AromaticContact CD2-CE2 3.58Å; F48-F50 HydrophobicContact CD2-CE2 3.58Å; F48-F50 HydrophobicContact CD2-CZ 4.44Å; F48-F50 HydrophobicContact CE2-CD2 4.45Å; F48-F50 AromaticContact CE2-CE2 3.74Å; F48-F50 HydrophobicContact CE2-CE2 3.74Å |
| 49 | A | 88.7 | Confident | 85 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 161.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110 | I14 L17 L26 W40 V41 | I14-A49 HydrophobicContact CB-CB 4.23Å; I14-A49 HydrophobicContact CD1-CB 4.48Å; I14-A49 PolarHBondContact N-O 2.86Å; I14-A49 PolarHBondContact O-N 3.04Å; L17-A49 HydrophobicContact CD1-CB 3.6Å; L26-A49 HydrophobicContact CD1-CB 3.7Å; W40-A49 CarbonylContact O-C 3.55Å; W40-A49 VanDerWaalsContact O-CA 3.25Å; W40-A49 WeakPolarHBondContact O-CA 3.44Å; W40-A49 WeakPolarHBondContact O-CB 3.34Å; V41-A49 HydrophobicContact CB-CB 4.4Å; V41-A49 HydrophobicContact CG1-CB 4.5Å; V41-A49 HydrophobicContact CG2-CB 4.09Å |
| 50 | F | 89.5 | Confident | 84.9 | Confident | 42 Ų | 42 | 62.6 Ų | 62.6 | 18% | 0.184 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 139.7 | 171.7 | -68.5 | -88.7 | 0 | 0 | 0 | 109.2 | K11 L12 Y13 V39 W40 F48 A81 | K11-F50 HydrophobicContact CD-CD1 4.39Å; K11-F50 VanDerWaalsContact CE-CD1 3.46Å; K11-F50 HydrophobicContact CG-CD1 4.36Å; L12-F50 VanDerWaalsContact O-CA 3.26Å; L12-F50 WeakPolarHBondContact O-CA 3.36Å; Y13-F50 HydrophobicContact CD2-CD1 4.38Å; Y13-F50 AromaticContact CD2-CE1 3.71Å; Y13-F50 HydrophobicContact CD2-CE1 3.71Å; Y13-F50 HydrophobicContact CD2-CE2 4.4Å; Y13-F50 AromaticContact CD2-CZ 3.75Å; Y13-F50 HydrophobicContact CD2-CZ 3.75Å; Y13-F50 HydrophobicContact CE2-CZ 4.37Å; Y13-F50 HydrophobicContact CG-CE1 4.4Å; V39-F50 WeakPolarHBondContact CA-O 3.04Å; W40-F50 HydrophobicContact CE3-CB 4.2Å; W40-F50 AromaticContact CE3-CD2 3.3Å; W40-F50 HydrophobicContact CE3-CD2 3.3Å; W40-F50 AromaticContact CE3-CE2 3.99Å; W40-F50 HydrophobicContact CE3-CE2 3.99Å; W40-F50 HydrophobicContact CE3-CG 4.1Å; W40-F50 AromaticContact CZ3-CD2 3.36Å; W40-F50 HydrophobicContact CZ3-CD2 3.36Å; W40-F50 AromaticContact CZ3-CE2 3.53Å; W40-F50 HydrophobicContact CZ3-CE2 3.53Å; W40-F50 HydrophobicContact CZ3-CG 4.44Å; W40-F50 PolarHBondContact N-O 2.85Å; W40-F50 PolarHBondContact O-N 3.07Å; F48-F50 HydrophobicContact CD2-CD2 4.14Å; F48-F50 AromaticContact CD2-CE2 3.58Å; F48-F50 HydrophobicContact CD2-CE2 3.58Å; F48-F50 HydrophobicContact CD2-CZ 4.44Å; F48-F50 HydrophobicContact CE2-CD2 4.45Å; F48-F50 AromaticContact CE2-CE2 3.74Å; F48-F50 HydrophobicContact CE2-CE2 3.74Å; F50-A81 HydrophobicContact CD1-CB 4.28Å; F50-A81 HydrophobicContact CE1-CB 4.27Å |
| 51 | A | 90 | Very high | 85 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 137.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | K11 L12 I14 L30 L36 V39 | K11-A51 CarbonylContact C-O 3.47Å; K11-A51 WeakPolarHBondContact CA-O 3.48Å; L12-A51 PolarHBondContact N-O 3.47Å; L12-A51 PolarHBondContact O-N 2.84Å; I14-A51 HydrophobicContact CD1-CB 4.09Å; L30-A51 HydrophobicContact CD1-CB 3.62Å; L30-A51 HydrophobicContact CD2-CB 4.23Å; L36-A51 HydrophobicContact CD2-CB 4.13Å; V39-A51 HydrophobicContact CG2-CB 4.38Å |
| 52 | E | 90 | Very high | 85.1 | Confident | 77 Ų | 77 | 59.6 Ų | 59.6 | 36% | 0.36 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126.9 | 174.2 | -174.2 | 170 | 179.5 | 0 | 0 | 109.3 | R10 L36 V37 D38 | R10-E52 HydrophobicContact CB-CG 4.39Å; R10-E52 WeakPolarHBondContact O-CA 3.29Å; L36-E52 CarbonylContact C-O 3.47Å; L36-E52 WeakPolarHBondContact CA-O 3.49Å; V37-E52 HydrophobicContact CB-CB 4.24Å; V37-E52 HydrophobicContact CB-CG 4.09Å; V37-E52 HydrophobicContact CG2-CG 4.38Å; V37-E52 PolarHBondContact N-O 2.81Å; D38-E52 PolarHBondContact O-N 3.09Å |
| 53 | Y | 90.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 149.7 | 176.7 | -76.7 | -89.2 | 0 | 0 | 0 | 111.4 | R10 L12 L30 E35 L36 R55 D58 A59 A62 | R10-Y53 WeakPolarHBondContact CB-O 2.96Å; R10-Y53 PolarHBondContact O-N 3.35Å; L12-Y53 HydrophobicContact CD1-CD2 3.95Å; L12-Y53 HydrophobicContact CD1-CE2 3.46Å; L12-Y53 VanDerWaalsContact CD1-CE2 3.46Å; L12-Y53 HydrophobicContact CG-CD2 4.15Å; L12-Y53 HydrophobicContact CG-CE2 4.1Å; L30-Y53 WeakPolarHBondContact CA-OH 3.11Å; L30-Y53 WeakPolarHBondContact CB-OH 3.43Å; L30-Y53 HydrophobicContact CD2-CE2 4.3Å; L30-Y53 WeakPolarHBondContact CD2-OH 2.83Å; L30-Y53 PolarHBondContact O-OH 3.34Å; L30-Y53 VanDerWaalsContact O-OH 3.08Å; E35-Y53 WeakPolarHBondContact O-CA 3.38Å; E35-Y53 WeakPolarHBondContact O-CD1 3.47Å; L36-Y53 HydrophobicContact CD2-CD1 4.13Å; L36-Y53 HydrophobicContact CD2-CD2 4.35Å; L36-Y53 HydrophobicContact CD2-CE1 3.75Å; L36-Y53 HydrophobicContact CD2-CE2 3.97Å; L36-Y53 HydrophobicContact CD2-CG 4.43Å; L36-Y53 HydrophobicContact CG-CE1 4.24Å; Y53-R55 VanDerWaalsContact C-N 3.29Å; Y53-R55 WeakPolarHBondContact CB-O 3.47Å; Y53-R55 PolarHBondContact O-N 3.29Å; Y53-D58 HydrophobicContact CD1-CB 3.73Å; Y53-D58 HydrophobicContact CE1-CB 4.33Å; Y53-D58 HydrophobicContact CG-CB 4.26Å; Y53-A59 HydrophobicContact CD2-CB 3.93Å; Y53-A59 HydrophobicContact CG-CB 4.25Å; Y53-A62 HydrophobicContact CE1-CB 4.47Å; Y53-A62 HydrophobicContact CE2-CB 3.78Å; Y53-A62 VanDerWaalsContact OH-CB 3.26Å; Y53-A62 WeakPolarHBondContact OH-CB 3.44Å |
| 54 | V | 88.1 | Confident | 86 | Confident | 57 Ų | 57 | 58.3 Ų | 58.3 | 35% | 0.345 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -62.5 | -42.1 | 173.6 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | E35 V37 | E35-V54 HydrophobicContact CB-CB 4.47Å; E35-V54 HydrophobicContact CB-CG2 3.99Å; E35-V54 HydrophobicContact CG-CG2 3.8Å; E35-V54 PolarHBondContact O-N 2.83Å; V37-V54 HydrophobicContact CG2-CB 4.29Å; V37-V54 HydrophobicContact CG2-CG2 3.6Å |
| 55 | R | 87.2 | Confident | 86.5 | Confident | 165 Ų | 165 | 54.6 Ų | 54.6 | 62% | 0.623 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -112.3 | 139.8 | -177.8 | -57.9 | 179.6 | 174.5 | -162.6 | -1.3 | 111.2 | Y53 S57 D58 A59 | Y53-R55 VanDerWaalsContact C-N 3.29Å; Y53-R55 WeakPolarHBondContact CB-O 3.47Å; Y53-R55 PolarHBondContact O-N 3.29Å; R55-S57 VanDerWaalsContact C-N 3.27Å; R55-S57 PolarHBondContact O-N 3.24Å; R55-D58 HydrophobicContact CB-CB 4.34Å; R55-D58 WeakPolarHBondContact CB-OD2 3.25Å; R55-D58 PolarHBondContact O-N 3Å; R55-A59 PolarHBondContact O-N 3.31Å |
| 56 | S | 86.7 | Confident | 87 | Confident | 25 Ų | 25 | 51.2 Ų | 51.2 | 18% | 0.175 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.6 | -29.8 | 173.4 | 57.9 | 0 | 0 | 0 | 0 | 113 | D58 A59 E60 | S56-D58 VanDerWaalsContact C-N 3.31Å; S56-A59 WeakPolarHBondContact O-CB 3.26Å; S56-A59 PolarHBondContact O-N 2.82Å; S56-E60 PolarHBondContact O-N 2.89Å |
| 57 | S | 88.2 | Confident | 87.7 | Confident | 79 Ų | 79 | 51.7 Ų | 51.7 | 55% | 0.552 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -64.1 | -37.8 | 175.7 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | R55 E60 K61 | R55-S57 VanDerWaalsContact C-N 3.27Å; R55-S57 PolarHBondContact O-N 3.24Å; S57-E60 PolarHBondContact O-N 3.34Å; S57-K61 PolarHBondContact O-N 3.43Å |
| 58 | D | 89.9 | Confident | 87.7 | Confident | 33 Ų | 33 | 51.8 Ų | 51.8 | 18% | 0.176 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.8 | -38.5 | 177.8 | -60.4 | -15.6 | 0 | 0 | 0 | 110.6 | Y53 R55 S56 E60 K61 A62 | Y53-D58 HydrophobicContact CD1-CB 3.73Å; Y53-D58 HydrophobicContact CE1-CB 4.33Å; Y53-D58 HydrophobicContact CG-CB 4.26Å; R55-D58 HydrophobicContact CB-CB 4.34Å; R55-D58 WeakPolarHBondContact CB-OD2 3.25Å; R55-D58 PolarHBondContact O-N 3Å; S56-D58 VanDerWaalsContact C-N 3.31Å; D58-E60 VanDerWaalsContact C-N 3.34Å; D58-E60 PolarHBondContact O-N 3.46Å; D58-K61 PolarHBondContact O-N 3.03Å; D58-A62 VanDerWaalsContact O-CB 3.29Å; D58-A62 WeakPolarHBondContact O-CB 3.17Å; D58-A62 PolarHBondContact O-N 2.74Å |
| 59 | A | 88.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60 | -43 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L12 Y53 R55 S56 A62 V63 F80 | L12-A59 HydrophobicContact CD1-CB 4.48Å; L12-A59 HydrophobicContact CD2-CB 3.94Å; L12-A59 HydrophobicContact CG-CB 4.24Å; Y53-A59 HydrophobicContact CD2-CB 3.93Å; Y53-A59 HydrophobicContact CG-CB 4.25Å; R55-A59 PolarHBondContact O-N 3.31Å; S56-A59 WeakPolarHBondContact O-CB 3.26Å; S56-A59 PolarHBondContact O-N 2.82Å; A59-A62 PolarHBondContact O-N 2.8Å; A59-V63 WeakPolarHBondContact O-CG2 3.25Å; A59-V63 PolarHBondContact O-N 3.26Å; A59-F80 HydrophobicContact CB-CE1 4.38Å |
| 60 | E | 88.2 | Confident | 86.8 | Confident | 80 Ų | 80 | 58 Ų | 58 | 37% | 0.374 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 176.8 | -177.1 | 174.7 | -168.1 | 0 | 0 | 112.5 | S56 S57 D58 A62 V63 R64 F80 | S56-E60 PolarHBondContact O-N 2.89Å; S57-E60 PolarHBondContact O-N 3.34Å; D58-E60 VanDerWaalsContact C-N 3.34Å; D58-E60 PolarHBondContact O-N 3.46Å; E60-A62 VanDerWaalsContact C-N 3.31Å; E60-A62 PolarHBondContact O-N 2.81Å; E60-V63 PolarHBondContact O-N 2.73Å; E60-R64 WeakPolarHBondContact O-CG 3.49Å; E60-R64 PolarHBondContact O-N 3.04Å; E60-R64 IonicContact OE1-CZ 3.32Å; E60-R64 IonicContact OE1-NE 3.46Å; E60-R64 PolarHBondContact OE1-NE 3.43Å; E60-R64 IonicContact OE1-NH2 2.64Å; E60-R64 PolarHBondContact OE1-NH2 2.77Å; E60-F80 HydrophobicContact CB-CE1 4.46Å; E60-F80 HydrophobicContact CB-CZ 3.97Å; E60-F80 HydrophobicContact CG-CZ 4.19Å |
| 61 | K | 89.3 | Confident | 85.9 | Confident | 109 Ų | 109 | 56.4 Ų | 56.4 | 47% | 0.474 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 173.5 | -173.9 | -178.6 | 175.6 | -168.7 | 0 | 110.9 | S57 D58 R64 S65 | S57-K61 PolarHBondContact O-N 3.43Å; D58-K61 PolarHBondContact O-N 3.03Å; K61-R64 PolarHBondContact O-N 3.34Å; K61-S65 WeakPolarHBondContact O-CB 3.36Å; K61-S65 PolarHBondContact O-N 2.95Å; K61-S65 PolarHBondContact O-OG 2.9Å |
| 62 | A | 88.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L12 C33 Y53 D58 A59 E60 R64 S65 L66 | L12-A62 HydrophobicContact CD1-CB 3.7Å; C33-A62 HydrophobicContact CB-CB 3.79Å; Y53-A62 HydrophobicContact CE1-CB 4.47Å; Y53-A62 HydrophobicContact CE2-CB 3.78Å; Y53-A62 VanDerWaalsContact OH-CB 3.26Å; Y53-A62 WeakPolarHBondContact OH-CB 3.44Å; D58-A62 VanDerWaalsContact O-CB 3.29Å; D58-A62 WeakPolarHBondContact O-CB 3.17Å; D58-A62 PolarHBondContact O-N 2.74Å; A59-A62 PolarHBondContact O-N 2.8Å; E60-A62 VanDerWaalsContact C-N 3.31Å; E60-A62 PolarHBondContact O-N 2.81Å; A62-R64 VanDerWaalsContact C-N 3.33Å; A62-R64 PolarHBondContact O-N 2.86Å; A62-S65 PolarHBondContact O-N 2.81Å; A62-L66 HydrophobicContact CB-CD1 4.14Å; A62-L66 WeakPolarHBondContact O-CA 3.36Å; A62-L66 WeakPolarHBondContact O-CB 3.39Å; A62-L66 PolarHBondContact O-N 3.46Å |
| 63 | V | 88.5 | Confident | 83.8 | Confident | 20 Ų | 20 | 59.7 Ų | 59.7 | 12% | 0.121 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 174.9 | 172.9 | 0 | 0 | 0 | 0 | 111 | L12 A59 E60 N67 V78 F80 | L12-V63 HydrophobicContact CD1-CG2 4Å; L12-V63 HydrophobicContact CD2-CG2 3.44Å; L12-V63 VanDerWaalsContact CD2-CG2 3.44Å; L12-V63 HydrophobicContact CG-CG2 4.35Å; A59-V63 WeakPolarHBondContact O-CG2 3.25Å; A59-V63 PolarHBondContact O-N 3.26Å; E60-V63 PolarHBondContact O-N 2.73Å; V63-N67 WeakPolarHBondContact O-CB 3.49Å; V63-N67 PolarHBondContact O-N 2.89Å; V63-V78 HydrophobicContact CG2-CG1 4.05Å; V63-F80 HydrophobicContact CB-CE2 4.28Å; V63-F80 HydrophobicContact CB-CZ 4.29Å; V63-F80 HydrophobicContact CG1-CE2 4.18Å; V63-F80 HydrophobicContact CG2-CD1 4.17Å; V63-F80 HydrophobicContact CG2-CD2 4.21Å; V63-F80 HydrophobicContact CG2-CE1 3.99Å; V63-F80 HydrophobicContact CG2-CE2 4.04Å; V63-F80 HydrophobicContact CG2-CG 4.29Å; V63-F80 HydrophobicContact CG2-CZ 3.95Å |
| 64 | R | 87.7 | Confident | 83 | Confident | 188 Ų | 188 | 60.2 Ų | 60.2 | 71% | 0.709 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -69.4 | -37.6 | -179 | -69 | 175 | -177.7 | -158.1 | 2.2 | 113 | E60 K61 A62 | E60-R64 WeakPolarHBondContact O-CG 3.49Å; E60-R64 PolarHBondContact O-N 3.04Å; E60-R64 IonicContact OE1-CZ 3.32Å; E60-R64 IonicContact OE1-NE 3.46Å; E60-R64 PolarHBondContact OE1-NE 3.43Å; E60-R64 IonicContact OE1-NH2 2.64Å; E60-R64 PolarHBondContact OE1-NH2 2.77Å; K61-R64 PolarHBondContact O-N 3.34Å; A62-R64 VanDerWaalsContact C-N 3.33Å; A62-R64 PolarHBondContact O-N 2.86Å |
| 65 | S | 86.2 | Confident | 82.8 | Confident | 68 Ų | 68 | 66.3 Ų | 66.3 | 48% | 0.476 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -90.3 | -34.9 | -174.7 | -65.6 | 0 | 0 | 0 | 0 | 114 | K61 A62 V69 | K61-S65 WeakPolarHBondContact O-CB 3.36Å; K61-S65 PolarHBondContact O-N 2.95Å; K61-S65 PolarHBondContact O-OG 2.9Å; A62-S65 PolarHBondContact O-N 2.81Å; S65-V69 WeakPolarHBondContact O-CG2 3.33Å |
| 66 | L | 84 | Confident | 82.7 | Confident | 9 Ų | 9 | 58.6 Ų | 58.6 | 5% | 0.047 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -97.9 | -16.3 | -173.2 | -60.8 | 173.1 | 0 | 0 | 0 | 113.3 | E29 L30 A62 G68 V69 I76 V78 | E29-L66 HydrophobicContact CB-CD2 4.34Å; L30-L66 HydrophobicContact CD2-CD1 3.58Å; L30-L66 HydrophobicContact CG-CD1 4.3Å; A62-L66 HydrophobicContact CB-CD1 4.14Å; A62-L66 WeakPolarHBondContact O-CA 3.36Å; A62-L66 WeakPolarHBondContact O-CB 3.39Å; A62-L66 PolarHBondContact O-N 3.46Å; L66-G68 PolarHBondContact O-N 3.24Å; L66-G68 VanDerWaalsContact O-N 3.07Å; L66-V69 PolarHBondContact O-N 3.37Å; L66-V69 VanDerWaalsContact O-N 3.13Å; L66-I76 HydrophobicContact CB-CD1 4.23Å; L66-I76 WeakPolarHBondContact O-CG1 3.24Å; L66-V78 HydrophobicContact CB-CG2 3.86Å |
| 67 | N | 87.2 | Confident | 82.8 | Confident | 85 Ų | 85 | 64 Ų | 64 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 112.7 | 176.5 | -175.2 | 16.8 | 0 | 0 | 0 | 110.6 | V63 V78 | V63-N67 WeakPolarHBondContact O-CB 3.49Å; V63-N67 PolarHBondContact O-N 2.89Å; N67-V78 HydrophobicContact CB-CB 4.33Å |
| 68 | G | 80 | Confident | 82.8 | Confident | 19 Ų | 19 | 60.3 Ų | 60.3 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | 5.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L66 I76 | L66-G68 PolarHBondContact O-N 3.24Å; L66-G68 VanDerWaalsContact O-N 3.07Å; G68-I76 WeakPolarHBondContact CA-O 3.35Å; G68-I76 PolarHBondContact N-O 3.46Å |
| 69 | V | 78.6 | Confident | 82.7 | Confident | 48 Ų | 48 | 62.1 Ų | 62.1 | 29% | 0.291 | 32% | 0.319 | S | S | . | . | trans | -71.9 | 142.7 | 174.2 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | S65 L66 V71 I76 | S65-V69 WeakPolarHBondContact O-CG2 3.33Å; L66-V69 PolarHBondContact O-N 3.37Å; L66-V69 VanDerWaalsContact O-N 3.13Å; V69-V71 HydrophobicContact CG1-CG2 4.14Å; V69-V71 PolarHBondContact O-N 3.25Å; V69-I76 HydrophobicContact CB-CG1 4.48Å; V69-I76 WeakPolarHBondContact O-CG1 3.43Å; V69-I76 PolarHBondContact O-N 2.64Å | ||
| 70 | N | 76.9 | Confident | 82.7 | Confident | 114 Ų | 114 | 64.8 Ų | 64.8 | 61% | 0.61 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 100.1 | 174.3 | -69.2 | 63 | 0 | 0 | 0 | 109.3 | S74 | N70-S74 CarbonylContact C-O 3.58Å; N70-S74 WeakPolarHBondContact CA-O 3.37Å |
| 71 | V | 69.7 | Low | 82.3 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 5% | 0.048 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 120.9 | 173.6 | -174.8 | 0 | 0 | 0 | 0 | 107.8 | D25 E29 V69 G73 S74 I76 | D25-V71 HydrophobicContact CB-CG1 4.41Å; E29-V71 HydrophobicContact CG-CG1 4.19Å; E29-V71 HydrophobicContact CG-CG2 4.03Å; V69-V71 HydrophobicContact CG1-CG2 4.14Å; V69-V71 PolarHBondContact O-N 3.25Å; V71-G73 PolarHBondContact O-N 3.39Å; V71-G73 VanDerWaalsContact O-N 3.09Å; V71-S74 PolarHBondContact N-O 3.41Å; V71-S74 PolarHBondContact O-N 3.29Å; V71-I76 HydrophobicContact CB-CG2 4.04Å; V71-I76 HydrophobicContact CG2-CD1 3.74Å; V71-I76 HydrophobicContact CG2-CG1 4.2Å; V71-I76 HydrophobicContact CG2-CG2 4.02Å |
| 72 | C | 64.9 | Low | 81.2 | Confident | 77 Ų | 77 | 65.3 Ų | 65.3 | 52% | 0.52 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 35.5 | 178.3 | -61.7 | 0 | 0 | 0 | 0 | 114.4 | D25 | D25-C72 PolarHBondContact OD2-SG 3.46Š|
| 73 | G | 70.6 | Confident | 79.6 | Confident | 70 Ų | 70 | 68.2 Ų | 68.2 | 72% | 0.722 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | 1.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | V71 | V71-G73 PolarHBondContact O-N 3.39Å; V71-G73 VanDerWaalsContact O-N 3.09Å |
| 74 | S | 73.5 | Confident | 77.5 | Confident | 11 Ų | 11 | 70.8 Ų | 70.8 | 8% | 0.077 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 136.8 | 179.8 | -50 | 0 | 0 | 0 | 0 | 111.3 | V18 N70 V71 I76 | V18-S74 WeakPolarHBondContact CB-OG 3.47Å; V18-S74 WeakPolarHBondContact CG2-OG 3.34Å; N70-S74 CarbonylContact C-O 3.58Å; N70-S74 WeakPolarHBondContact CA-O 3.37Å; V71-S74 PolarHBondContact N-O 3.41Å; V71-S74 PolarHBondContact O-N 3.29Å; S74-I76 PolarHBondContact O-N 3.03Å |
| 75 | R | 83.6 | Confident | 75.5 | Confident | 184 Ų | 184 | 68.9 Ų | 68.9 | 69% | 0.694 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 109 | 177.6 | -174.4 | 176.8 | -178 | -177.3 | 0 | 109.7 | ||
| 76 | I | 87.1 | Confident | 73.4 | Confident | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.021 | 39% | 0.393 | C | S | . | . | trans | -80.1 | 140.3 | 178.4 | 69.8 | 170.3 | 0 | 0 | 0 | 110.4 | I14 L17 L66 G68 V69 V71 S74 V78 | I14-I76 HydrophobicContact CG2-CB 4.27Å; L17-I76 HydrophobicContact CD2-CB 4.46Å; L17-I76 HydrophobicContact CD2-CG2 3.59Å; L66-I76 HydrophobicContact CB-CD1 4.23Å; L66-I76 WeakPolarHBondContact O-CG1 3.24Å; G68-I76 WeakPolarHBondContact CA-O 3.35Å; G68-I76 PolarHBondContact N-O 3.46Å; V69-I76 HydrophobicContact CB-CG1 4.48Å; V69-I76 WeakPolarHBondContact O-CG1 3.43Å; V69-I76 PolarHBondContact O-N 2.64Å; V71-I76 HydrophobicContact CB-CG2 4.04Å; V71-I76 HydrophobicContact CG2-CD1 3.74Å; V71-I76 HydrophobicContact CG2-CG1 4.2Å; V71-I76 HydrophobicContact CG2-CG2 4.02Å; S74-I76 PolarHBondContact O-N 3.03Å; I76-V78 HydrophobicContact CD1-CG2 3.88Å; I76-V78 HydrophobicContact CG1-CG2 4.17Å | ||
| 77 | R | 87.6 | Confident | 71.7 | Confident | 139 Ų | 139 | 79.4 Ų | 79.4 | 53% | 0.525 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 114 | 172.3 | 179.9 | 175.4 | 171.2 | -162.6 | -4.3 | 107.9 | I14 G15 E79 | I14-R77 CarbonylContact C-O 3.58Å; I14-R77 WeakPolarHBondContact CA-O 3.19Å; G15-R77 PolarHBondContact N-O 2.89Å; G15-R77 PolarHBondContact O-N 3.01Å; R77-E79 HydrophobicContact CG-CG 4.14Å; R77-E79 IonicContact CZ-OE1 3.08Å; R77-E79 IonicContact CZ-OE2 3.7Å; R77-E79 VanDerWaalsContact NE-CD 3.28Å; R77-E79 IonicContact NE-OE1 2.76Å; R77-E79 PolarHBondContact NE-OE1 2.64Å; R77-E79 IonicContact NE-OE2 3.71Å; R77-E79 VanDerWaalsContact NH2-CD 3.28Å; R77-E79 IonicContact NH2-OE1 2.64Å; R77-E79 PolarHBondContact NH2-OE1 2.76Å; R77-E79 IonicContact NH2-OE2 3.24Å; R77-E79 PolarHBondContact NH2-OE2 2.78Å |
| 78 | V | 89.2 | Confident | 69.8 | Low | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 123.2 | -179.6 | -172.7 | 0 | 0 | 0 | 0 | 108.6 | L12 Y13 I14 V63 L66 N67 I76 | L12-V78 HydrophobicContact CB-CG1 4.26Å; L12-V78 HydrophobicContact CD1-CG1 3.78Å; Y13-V78 CarbonylContact O-C 3.47Å; Y13-V78 WeakPolarHBondContact O-CA 3.48Å; I14-V78 HydrophobicContact CG1-CG2 4.4Å; V63-V78 HydrophobicContact CG2-CG1 4.05Å; L66-V78 HydrophobicContact CB-CG2 3.86Å; N67-V78 HydrophobicContact CB-CB 4.33Å; I76-V78 HydrophobicContact CD1-CG2 3.88Å; I76-V78 HydrophobicContact CG1-CG2 4.17Å |
| 79 | E | 87.8 | Confident | 68.2 | Low | 72 Ų | 72 | 81.1 Ų | 81.1 | 34% | 0.336 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 155.9 | 178.7 | -61.6 | -167.2 | 151.9 | 0 | 0 | 110.2 | L12 Y13 R77 A81 | L12-E79 CarbonylContact C-O 3.54Å; L12-E79 WeakPolarHBondContact CA-O 3.48Å; Y13-E79 HydrophobicContact CD1-CB 4.49Å; Y13-E79 PolarHBondContact N-O 3.5Å; Y13-E79 PolarHBondContact O-N 3.42Å; R77-E79 HydrophobicContact CG-CG 4.14Å; R77-E79 IonicContact CZ-OE1 3.08Å; R77-E79 IonicContact CZ-OE2 3.7Å; R77-E79 VanDerWaalsContact NE-CD 3.28Å; R77-E79 IonicContact NE-OE1 2.76Å; R77-E79 PolarHBondContact NE-OE1 2.64Å; R77-E79 IonicContact NE-OE2 3.71Å; R77-E79 VanDerWaalsContact NH2-CD 3.28Å; R77-E79 IonicContact NH2-OE1 2.64Å; R77-E79 PolarHBondContact NH2-OE1 2.76Å; R77-E79 IonicContact NH2-OE2 3.24Å; R77-E79 PolarHBondContact NH2-OE2 2.78Å; E79-A81 PolarHBondContact O-N 3.24Å |
| 80 | F | 87.7 | Confident | 66.7 | Low | 55 Ų | 55 | 84 Ų | 84 | 24% | 0.241 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 126.7 | 167.5 | -67.6 | -73.7 | 0 | 0 | 0 | 108.7 | C9 L12 A59 E60 V63 H82 | C9-F80 HydrophobicContact CB-CB 4.27Å; C9-F80 HydrophobicContact CB-CD1 4.01Å; L12-F80 HydrophobicContact CD2-CD1 3.65Å; L12-F80 HydrophobicContact CD2-CE1 4.04Å; L12-F80 HydrophobicContact CD2-CG 4.4Å; A59-F80 HydrophobicContact CB-CE1 4.38Å; E60-F80 HydrophobicContact CB-CE1 4.46Å; E60-F80 HydrophobicContact CB-CZ 3.97Å; E60-F80 HydrophobicContact CG-CZ 4.19Å; V63-F80 HydrophobicContact CB-CE2 4.28Å; V63-F80 HydrophobicContact CB-CZ 4.29Å; V63-F80 HydrophobicContact CG1-CE2 4.18Å; V63-F80 HydrophobicContact CG2-CD1 4.17Å; V63-F80 HydrophobicContact CG2-CD2 4.21Å; V63-F80 HydrophobicContact CG2-CE1 3.99Å; V63-F80 HydrophobicContact CG2-CE2 4.04Å; V63-F80 HydrophobicContact CG2-CG 4.29Å; V63-F80 HydrophobicContact CG2-CZ 3.95Å; F80-H82 PolarHBondContact O-N 2.88Å |
| 81 | A | 80.8 | Confident | 65.1 | Low | 8 Ų | 8 | 81.9 Ų | 81.9 | 7% | 0.066 | 47% | 0.469 | C | S | . | . | trans | -61.5 | 118 | 176.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | K11 F50 E79 G83 | K11-A81 HydrophobicContact CB-CB 3.93Å; K11-A81 HydrophobicContact CD-CB 4.19Å; K11-A81 HydrophobicContact CG-CB 3.72Å; K11-A81 VanDerWaalsContact O-CB 3.24Å; K11-A81 WeakPolarHBondContact O-CB 3.5Å; K11-A81 PolarHBondContact O-N 2.97Å; F50-A81 HydrophobicContact CD1-CB 4.28Å; F50-A81 HydrophobicContact CE1-CB 4.27Å; E79-A81 PolarHBondContact O-N 3.24Å; A81-G83 VanDerWaalsContact C-N 3.33Å; A81-G83 PolarHBondContact O-N 2.9Å | ||
| 82 | H | 66 | Low | 64.3 | Low | 192 Ų | 192 | 85.5 Ų | 85.5 | 89% | 0.889 | 50% | 0.495 | S | S | * | . | trans | -67.5 | 101.6 | 171.7 | -145.2 | 72.9 | 0 | 0 | 0 | 105.9 | F80 G84 | F80-H82 PolarHBondContact O-N 2.88Å; H82-G84 PolarHBondContact O-N 3.02Å | ||
| 83 | G | 54.7 | Low | 63.7 | Low | 62 Ų | 62 | 85 Ų | 85 | 64% | 0.639 | 50% | 0.496 | S | S | * | . | trans | -53.9 | 106.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | A81 R85 | A81-G83 VanDerWaalsContact C-N 3.33Å; A81-G83 PolarHBondContact O-N 2.9Å; G83-R85 PolarHBondContact O-N 2.72Å | ||
| 84 | G | 44.4 | Very low | 62.6 | Low | 73 Ų | 73 | 89.2 Ų | 89.2 | 75% | 0.753 | 50% | 0.495 | S | S | * | . | trans | -53.8 | 111.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | H82 T86 | H82-G84 PolarHBondContact O-N 3.02Å; G84-T86 PolarHBondContact O-N 3.03Å | ||
| 85 | R | 44.5 | Very low | 61.5 | Low | 149 Ų | 149 | 97.3 Ų | 97.3 | 56% | 0.562 | 53% | 0.531 | S | S | * | . | trans | 17.2 | 106.9 | 162.6 | -62.1 | 175 | -176.1 | 152.6 | -1.6 | 112.3 | G83 K87 I90 | G83-R85 PolarHBondContact O-N 2.72Å; R85-K87 PolarHBondContact O-N 3.47Å; R85-I90 HydrophobicContact CB-CD1 4.14Å; R85-I90 HydrophobicContact CB-CG1 3.96Å; R85-I90 HydrophobicContact CG-CG1 4.36Å | ||
| 86 | T | 42.6 | Very low | 59.4 | Low | 93 Ų | 93 | 92.5 Ų | 92.5 | 57% | 0.571 | 54% | 0.538 | S | S | * | . | trans | -38.5 | 135.7 | 153.2 | 55.2 | 0 | 0 | 0 | 0 | 107.5 | G84 S88 A89 | G84-T86 PolarHBondContact O-N 3.03Å; T86-S88 PolarHBondContact O-N 3.13Å; T86-A89 PolarHBondContact O-N 3.3Å | ||
| 87 | K | 49.3 | Very low | 57.3 | Low | 204 Ų | 204 | 95.7 Ų | 95.7 | 89% | 0.887 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 15.8 | 173.6 | -146.4 | 173.1 | 178.4 | -178.7 | 0 | 112.3 | R85 | R85-K87 PolarHBondContact O-N 3.47Š|
| 88 | S | 45.8 | Very low | 55.3 | Low | 112 Ų | 112 | 100.7 Ų | 100.7 | 78% | 0.783 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | 1.3 | 172.7 | -50.3 | 0 | 0 | 0 | 0 | 113.6 | T86 | T86-S88 PolarHBondContact O-N 3.13Š|
| 89 | A | 47.5 | Very low | 53.1 | Low | 28 Ų | 28 | 107.4 Ų | 107.4 | 23% | 0.231 | 64% | 0.638 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -117.4 | -3.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T86 G91 S92 | T86-A89 PolarHBondContact O-N 3.3Å; A89-G91 PolarHBondContact O-N 3.28Å; A89-S92 PolarHBondContact O-N 3.43Å |
| 90 | I | 46.7 | Very low | 51.2 | Low | 109 Ų | 109 | 107 Ų | 107 | 56% | 0.559 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -1.8 | 171.8 | -72 | 165.1 | 0 | 0 | 0 | 112.1 | R85 | R85-I90 HydrophobicContact CB-CD1 4.14Å; R85-I90 HydrophobicContact CB-CG1 3.96Å; R85-I90 HydrophobicContact CG-CG1 4.36Å |
| 91 | G | 44.3 | Very low | 48.8 | Very low | 70 Ų | 70 | 107.9 Ų | 107.9 | 72% | 0.722 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | -2.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | A89 | A89-G91 PolarHBondContact O-N 3.28Š|
| 92 | S | 52.8 | Low | 47.2 | Very low | 84 Ų | 84 | 119.6 Ų | 119.6 | 59% | 0.587 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.7 | -8.4 | -169.2 | 63.9 | 0 | 0 | 0 | 0 | 115.8 | A89 | A89-S92 PolarHBondContact O-N 3.43Š|
| 93 | A | 50.6 | Low | 46.2 | Very low | 67 Ų | 67 | 114 Ų | 114 | 55% | 0.554 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -96.1 | 2.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 94 | F | 49.2 | Very low | 45.9 | Very low | 158 Ų | 158 | 115.8 Ų | 115.8 | 69% | 0.693 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -119.1 | 12.7 | 178.4 | -66.6 | -75.6 | 0 | 0 | 0 | 114.1 | ||
| 95 | H | 49.1 | Very low | 45.6 | Very low | 180 Ų | 180 | 121.7 Ų | 121.7 | 83% | 0.833 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -128.8 | 69.1 | 173.4 | -76.5 | -0.7 | 0 | 0 | 0 | 110.3 | ||
| 96 | G | 41 | Very low | 45.8 | Very low | 83 Ų | 83 | 126.2 Ų | 126.2 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | trans | -170.3 | 25.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 97 | G | 42.4 | Very low | 45.8 | Very low | 72 Ų | 72 | 133.6 Ų | 133.6 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | trans | -140.2 | 70.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 98 | R | 44.6 | Very low | 45.6 | Very low | 243 Ų | 243 | 134.1 Ų | 134.1 | 92% | 0.917 | 75% | 0.754 | S | S | * | * | trans | -162.1 | 81.7 | 149 | -106.8 | 170.7 | -166.3 | -145.5 | 3.3 | 108.9 | G100 | R98-G100 VanDerWaalsContact C-N 3.28Å; R98-G100 PolarHBondContact O-N 3.22Å | ||
| 99 | S | 44.3 | Very low | 45.3 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 99% | 0.986 | 75% | 0.752 | S | S | * | * | trans | -57.9 | 100.7 | 147.4 | -176.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 100 | G | 46.2 | Very low | 45.2 | Very low | 64 Ų | 64 | 139.3 Ų | 139.3 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | trans | -156.6 | 84.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | R98 | R98-G100 VanDerWaalsContact C-N 3.28Å; R98-G100 PolarHBondContact O-N 3.22Å | ||
| 101 | G | 38.6 | Very low | 45.3 | Very low | 73 Ų | 73 | 139.4 Ų | 139.4 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -62.2 | 153.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 102 | R | 47.9 | Very low | 45 | Very low | 255 Ų | 255 | 147.1 Ų | 147.1 | 96% | 0.962 | 79% | 0.792 | S | S | * | * | trans | -176.7 | 124.1 | 140 | -107.8 | 176.6 | -174.3 | -169.3 | 2 | 110.5 | ||||
| 103 | G | 43.7 | Very low | 44.7 | Very low | 73 Ų | 73 | 151.8 Ų | 151.8 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | 71.9 | 89.2 | 148.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 104 | S | 48.3 | Very low | 44 | Very low | 101 Ų | 101 | 153.2 Ų | 153.2 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | 57.6 | 92.7 | 67.7 | -144.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 105 | F | 38.7 | Very low | 43.7 | Very low | 196 Ų | 196 | 151.7 Ų | 151.7 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | 28.4 | 97.6 | 141 | -46.2 | -76.9 | 0 | 0 | 0 | 117.6 | ||||
| 106 | R | 47.7 | Very low | 43.4 | Very low | 244 Ų | 244 | 153.4 Ų | 153.4 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -137.1 | 75.8 | 147.3 | -70.2 | -164 | -162.4 | -169.8 | 7.1 | 111.5 | R108 | R106-R108 PolarHBondContact O-N 2.86Š| ||
| 107 | R | 42.7 | Very low | 43.2 | Very low | 248 Ų | 248 | 156.5 Ų | 156.5 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | trans | -55.6 | 107.3 | 139.3 | -72.1 | -91.4 | -147.9 | -172.8 | 4.2 | 107.4 | ||||
| 108 | R | 44.7 | Very low | 43.3 | Very low | 216 Ų | 216 | 158 Ų | 158 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | trans | -162.3 | 110.3 | 158.7 | -158.7 | 165.8 | -74.4 | -153 | -0.9 | 111.5 | R106 | R106-R108 PolarHBondContact O-N 2.86Š| ||
| 109 | N | 40.1 | Very low | 42.9 | Very low | 140 Ų | 140 | 151.1 Ų | 151.1 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | trans | 37 | 112 | 139.7 | -60.3 | -8 | 0 | 0 | 0 | 117.4 | ||||
| 110 | S | 46 | Very low | 42.7 | Very low | 108 Ų | 108 | 154.2 Ų | 154.2 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | 115.5 | 163 | 90.9 | -92.1 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 111 | P | 49 | Very low | 42.6 | Very low | 111 Ų | 111 | 158.4 Ų | 158.4 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | cis | -130.9 | 156.3 | -29.3 | 27.4 | -7.6 | 0 | 0 | 0 | 112.7 | ||||
| 112 | R | 37.7 | Very low | 42.6 | Very low | 233 Ų | 233 | 157.5 Ų | 157.5 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -4.7 | 126.2 | 148.3 | -56.5 | 172.3 | -178.6 | 174.4 | -1.3 | 115.1 | ||||
| 113 | H | 46.8 | Very low | 42.1 | Very low | 182 Ų | 182 | 153.8 Ų | 153.8 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -151.6 | 92.1 | 137.8 | -105.5 | 46.9 | 0 | 0 | 0 | 108.6 | ||||
| 114 | S | 36.3 | Very low | 41.8 | Very low | 96 Ų | 96 | 161.1 Ų | 161.1 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | trans | -61.3 | 156.6 | 145.6 | 54.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 115 | N | 41.8 | Very low | 41.4 | Very low | 127 Ų | 127 | 166.6 Ų | 166.6 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | trans | 105.9 | 129.8 | -173.7 | -57.5 | -30.7 | 0 | 0 | 0 | 108 | ||||
| 116 | R | 42 | Very low | 41.7 | Very low | 215 Ų | 215 | 162.2 Ų | 162.2 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | cis | -167.1 | 134 | 11.7 | -116.8 | 165 | 174 | 153.5 | -3.2 | 102.3 | ||||
| 117 | D | 38.5 | Very low | 41.5 | Very low | 148 Ų | 148 | 156.8 Ų | 156.8 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | 48.2 | 100 | 103.9 | -138.8 | -61.4 | 0 | 0 | 0 | 112.2 | |||||
| 118 | S | 44.1 | Very low | 41.4 | Very low | 104 Ų | 104 | 153.1 Ų | 153.1 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | 180 | 98.5 | 120.3 | -155.2 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 119 | S | 36.3 | Very low | 41.2 | Very low | 99 Ų | 99 | 149.9 Ų | 149.9 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | trans | -49.3 | 156.1 | 145.4 | -35.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 120 | Y | 40.7 | Very low | 41.3 | Very low | 206 Ų | 206 | 151.2 Ų | 151.2 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | trans | 77.5 | 134.1 | 162.3 | -99.8 | -99.1 | 0 | 0 | 0 | 119.2 | ||||
| 121 | N | 43.2 | Very low | 40.8 | Very low | 151 Ų | 151 | 154.9 Ų | 154.9 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | 72.1 | 131.2 | 166.1 | -63.3 | -23.4 | 0 | 0 | 0 | 115.7 | ||||
| 122 | G | 38.7 | Very low | 40 | Very low | 55 Ų | 55 | 154.9 Ų | 154.9 | 57% | 0.567 | 76% | 0.762 | S | S | * | * | cis | 153.4 | 120.4 | 13.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 123 | H | 37.1 | Very low | 39.8 | Very low | 177 Ų | 177 | 148.3 Ų | 148.3 | 82% | 0.819 | 75% | 0.752 | S | S | * | * | trans | 61.9 | 129.7 | 148.1 | -50.2 | -58.6 | 0 | 0 | 0 | 121.7 | ||||
| 124 | R | 38.3 | Very low | 39.3 | Very low | 226 Ų | 226 | 150.1 Ų | 150.1 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | trans | 71.1 | 103.3 | 135.5 | -86.4 | -178.3 | -178.9 | 162.1 | 0.8 | 118.6 | ||||
| 125 | Y | 39.9 | Very low | 39.3 | Very low | 216 Ų | 216 | 154 Ų | 154 | 85% | 0.847 | 77% | 0.765 | S | S | * | * | 179.6 | 150.4 | 91.1 | -121 | -99.7 | 0 | 0 | 0 | 109.1 | |||||
| 126 | P | 43.4 | Very low | 38.7 | Very low | 105 Ų | 105 | 153 Ų | 153 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | trans | -95.9 | 137.1 | -174 | 35.5 | -26.5 | 0 | 0 | 0 | 112.4 | ||||
| 127 | D | 44.1 | Very low | 38.5 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | trans | -152.4 | 158.5 | 177 | -156.3 | -77.5 | 0 | 0 | 0 | 108.2 | ||||
| 128 | Y | 39.9 | Very low | 38.2 | Very low | 170 Ų | 170 | 148.6 Ų | 148.6 | 67% | 0.667 | 76% | 0.762 | S | S | * | * | -108.9 | 171.1 | -125.5 | -21 | -83.8 | 0 | 0 | 0 | 114.1 | |||||
| 129 | D | 41.4 | Very low | 38.3 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | 71.2 | 97.7 | 156.9 | -66.5 | -61.6 | 0 | 0 | 0 | 119.1 | ||||
| 130 | Q | 41.8 | Very low | 38.8 | Very low | 168 Ų | 168 | 150.2 Ų | 150.2 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | S | Bend | -177.5 | 110.3 | 116 | -105.5 | -176.8 | -16.1 | 0 | 0 | 112.7 | |||
| 131 | F | 35.9 | Very low | 38.6 | Very low | 186 Ų | 186 | 148 Ų | 148 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 72.5 | 64.5 | 155.5 | -56.3 | -69.3 | 0 | 0 | 0 | 118.7 | ||
| 132 | S | 32.3 | Very low | 38.4 | Very low | 111 Ų | 111 | 145.2 Ų | 145.2 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | -151.3 | 138.2 | 139.4 | 53.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 133 | S | 33.7 | Very low | 38.3 | Very low | 95 Ų | 95 | 146.9 Ų | 146.9 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | trans | 97.9 | 98.5 | 175.8 | -39 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 134 | F | 37 | Very low | 38.5 | Very low | 220 Ų | 220 | 144.8 Ų | 144.8 | 97% | 0.965 | 78% | 0.777 | S | S | * | * | -143.7 | 90.5 | 118.6 | -73.6 | -65.1 | 0 | 0 | 0 | 108 | |||||
| 135 | H | 34.9 | Very low | 38.6 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 82% | 0.819 | 77% | 0.765 | S | S | * | * | trans | -67.4 | 147.9 | 156.3 | -100.9 | 62.8 | 0 | 0 | 0 | 109.2 | ||||
| 136 | S | 29.8 | Very low | 38.7 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | 32.8 | 122.8 | 148.9 | -70.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 137 | S | 37.9 | Very low | 39.1 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | 166.6 | 133.9 | 101.1 | 57.2 | 0 | 0 | 0 | 0 | 110 | |||||
| 138 | E | 32.2 | Very low | 39.2 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | 72.6 | 129.3 | 150.3 | -60.6 | 171.9 | -173.4 | 0 | 0 | 114.6 | ||||
| 139 | V | 45.7 | Very low | 39.4 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | cis | -173.5 | 147.3 | 43.3 | -90.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 140 | T | 46.5 | Very low | 39.9 | Very low | 118 Ų | 118 | 135 Ų | 135 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | 59.1 | 109.3 | 141.8 | 59.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 141 | N | 36.6 | Very low | 40.1 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | 32.2 | 114.1 | 115.9 | -68.8 | -27.6 | 0 | 0 | 0 | 119 | |||||
| 142 | A | 40.2 | Very low | 40.3 | Very low | 92 Ų | 92 | 128 Ų | 128 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | 171.9 | 110.4 | 130.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 143 | A | 34.9 | Very low | 41.2 | Very low | 89 Ų | 89 | 134.5 Ų | 134.5 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | 54.9 | 127.6 | 74 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 144 | S | 42.2 | Very low | 41.7 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | trans | 84.8 | 134.8 | 178.6 | 80.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 145 | G | 41.1 | Very low | 42.3 | Very low | 59 Ų | 59 | 132.6 Ų | 132.6 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | cis | 175.4 | 134.8 | 0.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 146 | Y | 40.8 | Very low | 42.7 | Very low | 230 Ų | 230 | 131.8 Ų | 131.8 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | trans | 30.7 | 177.3 | 141.6 | -64.1 | -74.5 | 0 | 0 | 0 | 122.8 | ||||
| 147 | P | 51.6 | Low | 43.7 | Very low | 82 Ų | 82 | 134.2 Ų | 134.2 | 53% | 0.532 | 77% | 0.772 | S | S | . | * | cis | -135.1 | -172.4 | -19.1 | 14.9 | 12.1 | 0 | 0 | 0 | 114 | ||||
| 148 | Y | 46.5 | Very low | 44.3 | Very low | 216 Ų | 216 | 135.3 Ų | 135.3 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | trans | 106.4 | 98.4 | 157 | -48.8 | -64.9 | 0 | 0 | 0 | 119.3 | ||||
| 149 | G | 43.8 | Very low | 45.6 | Very low | 71 Ų | 71 | 136.8 Ų | 136.8 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | -89.7 | -164.5 | 143.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 150 | P | 52.1 | Low | 46.1 | Very low | 133 Ų | 133 | 138 Ų | 138 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | cis | -136.2 | 177.9 | 16.7 | 40 | -20.9 | 0 | 0 | 0 | 114.7 | ||||
| 151 | S | 46.6 | Very low | 47.1 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | 172 | 105.2 | 134.9 | -167.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 152 | S | 40.9 | Very low | 48.7 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | 37.7 | 101.6 | 129.9 | -46.9 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 153 | Y | 51 | Low | 49.7 | Very low | 246 Ų | 246 | 130.9 Ų | 130.9 | 97% | 0.965 | 75% | 0.747 | S | S | * | * | trans | -144 | 122.1 | 132.7 | -88.7 | -77.4 | 0 | 0 | 0 | 110 | ||||
| 154 | Q | 44.4 | Very low | 51.1 | Low | 181 Ų | 181 | 133.1 Ų | 133.1 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | trans | -94.5 | 155.4 | -177.3 | -177.2 | 169.8 | 8.6 | 0 | 0 | 110.4 | ||||
| 155 | S | 48.9 | Very low | 52.3 | Low | 94 Ų | 94 | 132.4 Ų | 132.4 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | trans | 78.3 | 135.7 | 165.3 | 79.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 156 | M | 42.6 | Very low | 53.3 | Low | 160 Ų | 160 | 133.6 Ų | 133.6 | 79% | 0.788 | 72% | 0.715 | S | S | * | * | cis | -162.4 | 113.2 | 37.8 | -69.4 | -83.2 | -178.5 | 0 | 0 | 109.2 | ||||
| 157 | L | 52 | Low | 54.3 | Low | 157 Ų | 157 | 130.5 Ų | 130.5 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | trans | -155.8 | 104.4 | 155.7 | -76.2 | -172.8 | 0 | 0 | 0 | 110.1 | ||||
| 158 | P | 50.2 | Low | 54.8 | Low | 118 Ų | 118 | 129.5 Ų | 129.5 | 77% | 0.766 | 70% | 0.696 | S | S | * | * | trans | -98.3 | 94.2 | -178.8 | 34.3 | -24 | 0 | 0 | 0 | 109.2 | ||||
| 159 | F | 60.1 | Low | 55.4 | Low | 207 Ų | 207 | 124.3 Ų | 124.3 | 91% | 0.908 | 68% | 0.683 | S | S | * | * | trans | 173.2 | 17.9 | 151.6 | -119.8 | -91.4 | 0 | 0 | 0 | 114.6 | ||||
| 160 | L | 56.2 | Low | 55.8 | Low | 145 Ų | 145 | 127.4 Ų | 127.4 | 76% | 0.759 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -88 | 126.8 | 176.3 | -70.3 | 171.6 | 0 | 0 | 0 | 110 | S162 | L160-S162 PolarHBondContact O-N 3.48Š|
| 161 | P | 66.8 | Low | 55.8 | Low | 71 Ų | 71 | 125 Ų | 125 | 46% | 0.461 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 136.5 | 173.8 | 24.4 | -31.3 | 0 | 0 | 0 | 109.4 | F165 | P161-F165 HydrophobicContact CB-CB 4.32Å; P161-F165 HydrophobicContact CB-CD1 3.69Å; P161-F165 HydrophobicContact CB-CE1 4.4Å; P161-F165 HydrophobicContact CB-CG 4.28Å; P161-F165 HydrophobicContact CG-CD1 4.38Å |
| 162 | S | 69.4 | Low | 56 | Low | 85 Ų | 85 | 127.7 Ų | 127.7 | 59% | 0.594 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -50 | 144.7 | 179.7 | -52 | 0 | 0 | 0 | 0 | 111.3 | L160 E164 F165 I166 | L160-S162 PolarHBondContact O-N 3.48Å; S162-E164 PolarHBondContact O-N 2.98Å; S162-F165 WeakPolarHBondContact O-CB 3.42Å; S162-F165 PolarHBondContact O-N 3.22Å; S162-I166 PolarHBondContact O-N 2.73Å |
| 163 | A | 62.6 | Low | 56.3 | Low | 64 Ų | 64 | 127.7 Ų | 127.7 | 53% | 0.529 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -53.8 | -25.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I166 R167 | A163-I166 PolarHBondContact O-N 3.21Å; A163-R167 VanDerWaalsContact O-CG 3.3Å; A163-R167 WeakPolarHBondContact O-CG 3.48Å; A163-R167 PolarHBondContact O-N 3.34Å |
| 164 | E | 63.7 | Low | 56 | Low | 136 Ų | 136 | 126.3 Ų | 126.3 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -66.1 | -36.4 | 173.2 | -60.5 | -53.8 | 114.4 | 0 | 0 | 113.7 | S162 R167 S168 | S162-E164 PolarHBondContact O-N 2.98Å; E164-R167 PolarHBondContact O-N 3.46Å; E164-S168 WeakPolarHBondContact O-CB 3.41Å; E164-S168 PolarHBondContact O-N 3.39Å |
| 165 | F | 67 | Low | 56 | Low | 118 Ų | 118 | 128.7 Ų | 128.7 | 52% | 0.518 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -69.6 | -38.7 | 174.8 | 178.5 | -99.3 | 0 | 0 | 0 | 111.6 | P161 S162 S168 L169 | P161-F165 HydrophobicContact CB-CB 4.32Å; P161-F165 HydrophobicContact CB-CD1 3.69Å; P161-F165 HydrophobicContact CB-CE1 4.4Å; P161-F165 HydrophobicContact CB-CG 4.28Å; P161-F165 HydrophobicContact CG-CD1 4.38Å; S162-F165 WeakPolarHBondContact O-CB 3.42Å; S162-F165 PolarHBondContact O-N 3.22Å; F165-S168 WeakPolarHBondContact O-CB 3.3Å; F165-S168 PolarHBondContact O-N 3.31Å; F165-L169 HydrophobicContact CD1-CD1 4.03Å; F165-L169 HydrophobicContact CE1-CD1 3.58Å; F165-L169 HydrophobicContact CZ-CD1 4.05Å; F165-L169 PolarHBondContact O-N 3.04Å |
| 166 | I | 62.3 | Low | 55.6 | Low | 85 Ų | 85 | 136.1 Ų | 136.1 | 44% | 0.436 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -67.1 | -39.3 | 177.1 | -59 | 176.2 | 0 | 0 | 0 | 110.6 | S162 A163 L169 Q170 | S162-I166 PolarHBondContact O-N 2.73Å; A163-I166 PolarHBondContact O-N 3.21Å; I166-L169 PolarHBondContact O-N 3.03Å; I166-Q170 PolarHBondContact O-N 3.49Å |
| 167 | R | 61.6 | Low | 55.7 | Low | 164 Ų | 164 | 133.5 Ų | 133.5 | 62% | 0.619 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -67.2 | -32.9 | 174.7 | -73.6 | 173.9 | -178.7 | -120.8 | 1.1 | 112.8 | A163 E164 Q170 S171 | A163-R167 VanDerWaalsContact O-CG 3.3Å; A163-R167 WeakPolarHBondContact O-CG 3.48Å; A163-R167 PolarHBondContact O-N 3.34Å; E164-R167 PolarHBondContact O-N 3.46Å; R167-Q170 PolarHBondContact O-N 3.4Å; R167-S171 PolarHBondContact O-N 3.44Å; R167-S171 PolarHBondContact O-OG 2.84Å |
| 168 | S | 62.5 | Low | 55.5 | Low | 61 Ų | 61 | 131.1 Ų | 131.1 | 43% | 0.427 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -63.6 | -39.5 | 174.4 | 166 | 0 | 0 | 0 | 0 | 113.2 | E164 F165 S171 H172 | E164-S168 WeakPolarHBondContact O-CB 3.41Å; E164-S168 PolarHBondContact O-N 3.39Å; F165-S168 WeakPolarHBondContact O-CB 3.3Å; F165-S168 PolarHBondContact O-N 3.31Å; S168-S171 PolarHBondContact O-N 2.99Å; S168-H172 PolarHBondContact O-ND1 3.44Å; S168-H172 VanDerWaalsContact O-ND1 3.13Å |
| 169 | L | 58 | Low | 55.3 | Low | 108 Ų | 108 | 132.4 Ų | 132.4 | 57% | 0.565 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -69.7 | -34.6 | 177.9 | -73.1 | 163 | 0 | 0 | 0 | 113.1 | F165 I166 S171 | F165-L169 HydrophobicContact CD1-CD1 4.03Å; F165-L169 HydrophobicContact CE1-CD1 3.58Å; F165-L169 HydrophobicContact CZ-CD1 4.05Å; F165-L169 PolarHBondContact O-N 3.04Å; I166-L169 PolarHBondContact O-N 3.03Å; L169-S171 VanDerWaalsContact C-N 3.31Å |
| 170 | Q | 53.5 | Low | 54.7 | Low | 135 Ų | 135 | 125.5 Ų | 125.5 | 63% | 0.631 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -76.1 | -20.5 | 176.8 | -72.5 | 177.8 | -10.3 | 0 | 0 | 112.9 | I166 R167 | I166-Q170 PolarHBondContact O-N 3.49Å; R167-Q170 PolarHBondContact O-N 3.4Å |
| 171 | S | 51.9 | Low | 54.3 | Low | 83 Ų | 83 | 130.2 Ų | 130.2 | 58% | 0.58 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -77.9 | -19.2 | -179.6 | -59.1 | 0 | 0 | 0 | 0 | 113.4 | R167 S168 L169 | R167-S171 PolarHBondContact O-N 3.44Å; R167-S171 PolarHBondContact O-OG 2.84Å; S168-S171 PolarHBondContact O-N 2.99Å; L169-S171 VanDerWaalsContact C-N 3.31Å |
| 172 | H | 51.3 | Low | 53.6 | Low | 164 Ų | 164 | 134.6 Ų | 134.6 | 76% | 0.759 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -6.9 | 175.5 | -72.7 | 81.6 | 0 | 0 | 0 | 114 | S168 | S168-H172 PolarHBondContact O-ND1 3.44Å; S168-H172 VanDerWaalsContact O-ND1 3.13Å |
| 173 | S | 46.3 | Very low | 52.8 | Low | 99 Ų | 99 | 136 Ų | 136 | 69% | 0.692 | 69% | 0.694 | S | S | * | * | trans | -93.8 | 12.6 | 179.5 | -172.8 | 0 | 0 | 0 | 0 | 113.7 | R175 | S173-R175 PolarHBondContact O-N 2.71Š| ||
| 174 | R | 45.5 | Very low | 52.2 | Low | 218 Ų | 218 | 140.6 Ų | 140.6 | 82% | 0.823 | 71% | 0.709 | S | S | * | * | trans | -97.8 | 58.5 | 175.2 | -64.7 | -171.3 | -177.6 | -164.4 | 1.7 | 112.1 | ||||
| 175 | R | 43.9 | Very low | 52.2 | Low | 230 Ų | 230 | 140.1 Ų | 140.1 | 87% | 0.868 | 72% | 0.718 | S | S | * | * | trans | -134.2 | 60.9 | 154.5 | -70 | -159 | -167.2 | -118.6 | 5.9 | 109.7 | S173 S177 | S173-R175 PolarHBondContact O-N 2.71Å; R175-S177 VanDerWaalsContact C-N 3.26Å; R175-S177 PolarHBondContact O-N 3.38Å | ||
| 176 | R | 39.3 | Very low | 51.6 | Low | 251 Ų | 251 | 140.3 Ų | 140.3 | 95% | 0.947 | 73% | 0.728 | S | S | * | * | trans | -86.6 | 76.7 | 160.8 | -151.3 | 176.2 | -149.4 | -144.3 | 4.5 | 106.5 | ||||
| 177 | S | 46.7 | Very low | 50.7 | Low | 104 Ų | 104 | 144.1 Ų | 144.1 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -100.2 | 121.7 | 175.1 | -60.7 | 0 | 0 | 0 | 0 | 108.5 | R175 | R175-S177 VanDerWaalsContact C-N 3.26Å; R175-S177 PolarHBondContact O-N 3.38Å | ||
| 178 | S | 47.6 | Very low | 50.1 | Low | 107 Ų | 107 | 144.9 Ų | 144.9 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -14.2 | 140.9 | 174.2 | -49.2 | 0 | 0 | 0 | 0 | 119 | G180 | S178-G180 PolarHBondContact O-N 3.27Š| ||
| 179 | P | 46 | Very low | 49.1 | Very low | 146 Ų | 146 | 154 Ų | 154 | 95% | 0.948 | 79% | 0.785 | S | S | * | * | trans | -74.2 | 93.9 | 167.8 | 32 | -28.7 | 0 | 0 | 0 | 108.4 | ||||
| 180 | G | 46.2 | Very low | 48.4 | Very low | 61 Ų | 61 | 151.7 Ų | 151.7 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | trans | -123.9 | 109.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S178 | S178-G180 PolarHBondContact O-N 3.27Š| ||
| 181 | R | 48.3 | Very low | 47.9 | Very low | 244 Ų | 244 | 154.3 Ų | 154.3 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | 33.2 | 105.2 | 156.1 | -75.9 | -178.9 | 176.3 | -164.3 | -1.4 | 117.7 | ||||
| 182 | I | 51.2 | Low | 47.9 | Very low | 164 Ų | 164 | 155.8 Ų | 155.8 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 121.2 | 153.7 | -51.6 | 175.3 | 0 | 0 | 0 | 107.1 | ||
| 183 | P | 52.4 | Low | 48 | Very low | 114 Ų | 114 | 153.7 Ų | 153.7 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 138.9 | 176.6 | -14.8 | 29.1 | 0 | 0 | 0 | 111.8 | ||
| 184 | L | 50.8 | Low | 48 | Very low | 161 Ų | 161 | 156.8 Ų | 156.8 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 139.2 | 172.6 | -62.5 | 168.2 | 0 | 0 | 0 | 110.7 | V186 | L184-V186 PolarHBondContact O-N 3.27Š|
| 185 | P | 63.4 | Low | 48.3 | Very low | 126 Ų | 126 | 150.4 Ų | 150.4 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 120.8 | 172.9 | 27.3 | -31 | 0 | 0 | 0 | 110.5 | ||
| 186 | V | 54.5 | Low | 48.3 | Very low | 121 Ų | 121 | 150.7 Ų | 150.7 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 129.3 | 169.5 | 147.9 | 0 | 0 | 0 | 0 | 110.1 | L184 Q188 | L184-V186 PolarHBondContact O-N 3.27Å; V186-Q188 HydrophobicContact CG1-CG 4.23Å; V186-Q188 PolarHBondContact O-N 2.92Å |
| 187 | N | 43.8 | Very low | 48.7 | Very low | 165 Ų | 165 | 150.2 Ų | 150.2 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 116.8 | 167.9 | -78 | -43.6 | 0 | 0 | 0 | 110.3 | ||
| 188 | Q | 48.3 | Very low | 48.4 | Very low | 180 Ų | 180 | 156.2 Ų | 156.2 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | trans | -110.2 | 116.9 | 161.5 | -68.8 | -165.2 | 35.2 | 0 | 0 | 110 | V186 | V186-Q188 HydrophobicContact CG1-CG 4.23Å; V186-Q188 PolarHBondContact O-N 2.92Å | ||
| 189 | R | 43.1 | Very low | 48.5 | Very low | 252 Ų | 252 | 156.5 Ų | 156.5 | 95% | 0.951 | 82% | 0.815 | S | S | * | * | trans | -45.7 | 147.3 | 160.2 | -86.8 | 168.6 | 170.6 | 174.9 | -2.4 | 111.7 | ||||
| 190 | G | 42.6 | Very low | 48.6 | Very low | 61 Ų | 61 | 160.2 Ų | 160.2 | 63% | 0.629 | 81% | 0.81 | S | S | * | * | trans | 148.3 | 104.9 | 146 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 191 | H | 43 | Very low | 48.9 | Very low | 189 Ų | 189 | 163.2 Ų | 163.2 | 88% | 0.875 | 82% | 0.822 | S | S | * | * | trans | 53.9 | 119.1 | 140.8 | -58.9 | -54.9 | 0 | 0 | 0 | 118.6 | ||||
| 192 | S | 52 | Low | 49 | Very low | 114 Ų | 114 | 157 Ų | 157 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | -176.7 | 164.9 | 68.5 | -80.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 193 | P | 53 | Low | 48.9 | Very low | 121 Ų | 121 | 157.8 Ų | 157.8 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | trans | -104.5 | 157.2 | -151.1 | 38.4 | -30.7 | 0 | 0 | 0 | 114.5 | ||||
| 194 | I | 46 | Very low | 48.6 | Very low | 163 Ų | 163 | 155.7 Ų | 155.7 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -144.5 | 109.3 | 158.1 | -140 | 158.8 | 0 | 0 | 0 | 113.1 | ||||
| 195 | S | 51.3 | Low | 49 | Very low | 84 Ų | 84 | 154.6 Ų | 154.6 | 59% | 0.587 | 82% | 0.817 | S | S | * | * | trans | 25 | 119.8 | 147.9 | 59.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 196 | R | 45.1 | Very low | 48.4 | Very low | 236 Ų | 236 | 154.6 Ų | 154.6 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | 56.3 | 116 | 118.8 | -61 | 178.9 | -157.8 | 147.6 | 5.2 | 120 | |||||
| 197 | R | 47.5 | Very low | 48.5 | Very low | 241 Ų | 241 | 155.9 Ų | 155.9 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | 157.8 | 107.1 | 124.2 | -87.4 | 174.1 | -167.7 | -90.4 | 3.8 | 106.6 | |||||
| 198 | R | 39.4 | Very low | 48.5 | Very low | 231 Ų | 231 | 151.1 Ų | 151.1 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | 68.4 | 88.6 | 58.7 | -151.7 | -176.8 | -151.6 | -144.7 | 8.1 | 114.7 | |||||
| 199 | S | 49.7 | Very low | 48.4 | Very low | 113 Ų | 113 | 154.1 Ų | 154.1 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | -174.1 | 96.2 | 148.3 | 29.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 200 | R | 48.3 | Very low | 48.8 | Very low | 223 Ų | 223 | 147.1 Ų | 147.1 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | 55.2 | 104.4 | 92.4 | -86.7 | -173.4 | 170.5 | 173.6 | -3.9 | 114.6 | |||||
| 201 | S | 53.5 | Low | 48.8 | Very low | 124 Ų | 124 | 156.4 Ų | 156.4 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | trans | -160.6 | 124.6 | 139.9 | -73.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 202 | P | 50 | Low | 48.9 | Very low | 115 Ų | 115 | 150.8 Ų | 150.8 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | trans | -107.6 | 152.6 | -172.5 | 25.4 | -7.4 | 0 | 0 | 0 | 115.1 | ||||
| 203 | L | 49.5 | Very low | 48.5 | Very low | 180 Ų | 180 | 157.3 Ų | 157.3 | 94% | 0.942 | 82% | 0.821 | S | S | * | * | trans | 55.8 | 120.6 | 141.4 | -57.5 | 172.4 | 0 | 0 | 0 | 120.9 | ||||
| 204 | G | 45.3 | Very low | 48.6 | Very low | 70 Ų | 70 | 156.8 Ų | 156.8 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | trans | -168 | 89 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 205 | V | 59.2 | Low | 49.1 | Very low | 138 Ų | 138 | 154.6 Ų | 154.6 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | 27.7 | 136.1 | 150.8 | -68.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 206 | P | 51.4 | Low | 49.2 | Very low | 125 Ų | 125 | 156.2 Ų | 156.2 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | trans | -102.7 | 134.5 | 158.8 | 35.3 | -24.2 | 0 | 0 | 0 | 112.2 | ||||
| 207 | V | 55.8 | Low | 49.3 | Very low | 149 Ų | 149 | 154.6 Ų | 154.6 | 90% | 0.903 | 83% | 0.828 | S | S | * | * | trans | -147.4 | 139 | 168.6 | 176.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 208 | G | 44.3 | Very low | 49 | Very low | 64 Ų | 64 | 148.4 Ų | 148.4 | 66% | 0.66 | 82% | 0.822 | S | S | * | * | trans | -93.4 | 174.3 | -167 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 209 | R | 45.5 | Very low | 49.2 | Very low | 244 Ų | 244 | 147.6 Ų | 147.6 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | 42.5 | 160.8 | 136.8 | -95.5 | -169.4 | -178.3 | -159.4 | 2.1 | 121 | ||||
| 210 | P | 51.9 | Low | 49.2 | Very low | 104 Ų | 104 | 148.2 Ų | 148.2 | 68% | 0.675 | 82% | 0.815 | S | S | * | * | -133 | 179.4 | -61.6 | 32.7 | -10.8 | 0 | 0 | 0 | 111.4 | |||||
| 211 | R | 42.8 | Very low | 49 | Very low | 257 Ų | 257 | 140.9 Ų | 140.9 | 97% | 0.97 | 81% | 0.808 | S | S | * | * | trans | 172.3 | 128.1 | 161.9 | -97.5 | 161.9 | -168.1 | -177.7 | 4.9 | 105 | ||||
| 212 | G | 44.3 | Very low | 48.3 | Very low | 71 Ų | 71 | 147.1 Ų | 147.1 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | cis | 117.5 | 123.8 | 37.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 213 | R | 45.4 | Very low | 48 | Very low | 250 Ų | 250 | 147 Ų | 147 | 94% | 0.943 | 81% | 0.814 | S | S | * | * | trans | 108.6 | 122 | -178.1 | -78 | -179.8 | 169.6 | 177.4 | -2.8 | 112.8 | ||||
| 214 | S | 54 | Low | 47.3 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | cis | -155.5 | 167.7 | 36.7 | -70 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 215 | P | 57.2 | Low | 47.2 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 167.5 | -158.5 | -9.5 | 26.8 | 0 | 0 | 0 | 116.9 | ||
| 216 | P | 53.3 | Low | 46.5 | Very low | 118 Ų | 118 | 154.5 Ų | 154.5 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 133.6 | 171.3 | 33.6 | -29.3 | 0 | 0 | 0 | 112.1 | ||
| 217 | E | 47.1 | Very low | 46.1 | Very low | 202 Ų | 202 | 156.7 Ų | 156.7 | 94% | 0.944 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 130.3 | 170.2 | -76.8 | -162.2 | 120.4 | 0 | 0 | 111.1 | ||
| 218 | S | 42 | Very low | 45.7 | Very low | 111 Ų | 111 | 157.2 Ų | 157.2 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 129.6 | 170.5 | -55.6 | 0 | 0 | 0 | 0 | 108.4 | ||
| 219 | Y | 43.5 | Very low | 45.6 | Very low | 214 Ų | 214 | 160 Ų | 160 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | trans | -151.7 | 112.7 | 149.8 | -138.2 | -94.7 | 0 | 0 | 0 | 112 | ||||
| 220 | D | 48.7 | Very low | 45.6 | Very low | 126 Ų | 126 | 155.5 Ų | 155.5 | 67% | 0.674 | 81% | 0.809 | S | S | * | * | trans | 36.4 | 99.8 | 147.1 | -62.5 | -22.9 | 0 | 0 | 0 | 120.9 | ||||
| 221 | G | 43.4 | Very low | 45.2 | Very low | 68 Ų | 68 | 161.2 Ų | 161.2 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | 55.1 | 99.4 | 106.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 222 | R | 40.2 | Very low | 45.1 | Very low | 256 Ų | 256 | 152.6 Ų | 152.6 | 97% | 0.966 | 81% | 0.808 | S | S | * | * | -171 | 125.3 | 112.3 | -100.9 | 165.5 | -165.6 | -171.1 | 5 | 111.8 | |||||
| 223 | S | 43.8 | Very low | 45.1 | Very low | 111 Ų | 111 | 161.3 Ų | 161.3 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -71.8 | 143.8 | -176.7 | -47 | 0 | 0 | 0 | 0 | 113 | ||||
| 224 | M | 34.9 | Very low | 44.9 | Very low | 179 Ų | 179 | 153.2 Ų | 153.2 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | trans | 17.9 | 123.2 | 132.8 | -59.7 | 176.7 | 142.2 | 0 | 0 | 117.7 | ||||
| 225 | S | 43.3 | Very low | 44.2 | Very low | 125 Ų | 125 | 151.1 Ų | 151.1 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -168 | 97.6 | 131.6 | -78 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 226 | R | 44.5 | Very low | 43.5 | Very low | 243 Ų | 243 | 156.3 Ų | 156.3 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | trans | -74.9 | 154 | 149.6 | -73.9 | 179.2 | -104 | 159.9 | -5 | 106.9 | ||||
| 227 | H | 41.9 | Very low | 43.2 | Very low | 170 Ų | 170 | 155.8 Ų | 155.8 | 79% | 0.787 | 81% | 0.814 | S | S | * | * | trans | 72.3 | 111 | 172.4 | -98.5 | 177.8 | 0 | 0 | 0 | 115.9 | ||||
| 228 | L | 48.3 | Very low | 42.8 | Very low | 161 Ų | 161 | 153.6 Ų | 153.6 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | 177.9 | 136.3 | 102.8 | -90.4 | 160.9 | 0 | 0 | 0 | 109.9 | |||||
| 229 | D | 41.9 | Very low | 42.9 | Very low | 121 Ų | 121 | 157.5 Ų | 157.5 | 65% | 0.647 | 81% | 0.813 | S | S | * | * | trans | -60.2 | 172.7 | 173.9 | -50 | -74.8 | 0 | 0 | 0 | 112.7 | ||||
| 230 | M | 46.2 | Very low | 43 | Very low | 151 Ų | 151 | 152.8 Ų | 152.8 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | trans | 99.1 | 114.4 | 154 | -59.7 | -65.9 | 165.4 | 0 | 0 | 118.2 | ||||
| 231 | R | 43.4 | Very low | 42.6 | Very low | 224 Ų | 224 | 158.8 Ų | 158.8 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | 84.6 | 96 | 135 | -64.7 | 166.7 | -166.8 | -130.3 | 5.7 | 117.8 | ||||
| 232 | G | 39.8 | Very low | 42.8 | Very low | 76 Ų | 76 | 160.6 Ų | 160.6 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | 64.7 | 107.1 | 104.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 233 | R | 44.4 | Very low | 43 | Very low | 253 Ų | 253 | 159.9 Ų | 159.9 | 96% | 0.955 | 82% | 0.823 | S | S | * | * | trans | 177 | 121.7 | 136.7 | -92 | -158.8 | -150.3 | -125.8 | 8.5 | 104.6 | ||||
| 234 | G | 41.8 | Very low | 43.5 | Very low | 81 Ų | 81 | 162.2 Ų | 162.2 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | cis | 93.1 | 109.5 | 43.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 235 | G | 39.2 | Very low | 44.3 | Very low | 65 Ų | 65 | 159.3 Ų | 159.3 | 67% | 0.67 | 82% | 0.82 | S | S | * | * | trans | 124.4 | 97.8 | 150.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 236 | Y | 42.2 | Very low | 44.5 | Very low | 227 Ų | 227 | 165.5 Ų | 165.5 | 89% | 0.89 | 82% | 0.824 | S | S | * | * | trans | 28.9 | 126.7 | 136.9 | -54 | -82.6 | 0 | 0 | 0 | 121.2 | ||||
| 237 | S | 46.3 | Very low | 45.1 | Very low | 108 Ų | 108 | 157.1 Ų | 157.1 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | 174.5 | 126.8 | 104.1 | 40.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 238 | D | 38.7 | Very low | 45.8 | Very low | 155 Ų | 155 | 155.2 Ų | 155.2 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | -61.9 | 127.4 | 168.7 | -70 | -71.2 | 0 | 0 | 0 | 111.3 | ||||
| 239 | F | 45.6 | Very low | 45.7 | Very low | 194 Ų | 194 | 159.6 Ų | 159.6 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | trans | -152.4 | 140.7 | 150.7 | -84.1 | -71 | 0 | 0 | 0 | 111.8 | ||||
| 240 | S | 44.9 | Very low | 46.2 | Very low | 115 Ų | 115 | 158.5 Ų | 158.5 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | 96 | 85 | 154.2 | -51.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 241 | R | 40.9 | Very low | 46.3 | Very low | 251 Ų | 251 | 157.8 Ų | 157.8 | 95% | 0.947 | 83% | 0.834 | S | S | * | * | trans | -56.7 | 129.7 | 156.8 | -69.2 | 170.8 | 171.5 | -177.1 | -3.1 | 112.1 | ||||
| 242 | S | 47.3 | Very low | 46.6 | Very low | 107 Ų | 107 | 157.3 Ų | 157.3 | 75% | 0.748 | 83% | 0.833 | S | S | * | * | trans | -158.2 | 90.2 | 146.8 | 52.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 243 | R | 44.2 | Very low | 47.5 | Very low | 240 Ų | 240 | 158.6 Ų | 158.6 | 91% | 0.906 | 83% | 0.83 | S | S | * | * | 69.7 | 83.1 | 89.2 | -156.9 | -165.5 | -59.3 | -143.5 | 7.8 | 113 | |||||
| 244 | I | 54.1 | Low | 48.8 | Very low | 161 Ų | 161 | 151.5 Ų | 151.5 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | trans | -142.2 | 118.9 | 150.5 | -54.5 | -179.3 | 0 | 0 | 0 | 108.6 | ||||
| 245 | P | 52.2 | Low | 50 | Low | 118 Ų | 118 | 153.4 Ų | 153.4 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -81 | 142.2 | -177 | 30.8 | -31.2 | 0 | 0 | 0 | 112.5 | ||
| 246 | R | 47.8 | Very low | 50.2 | Low | 255 Ų | 255 | 159 Ų | 159 | 96% | 0.962 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 121.1 | 173.1 | -67.8 | -176.8 | 175.5 | 177.4 | -1.1 | 110.1 | ||
| 247 | G | 55.7 | Low | 50.9 | Low | 67 Ų | 67 | 154.9 Ų | 154.9 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 163.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 248 | P | 56.4 | Low | 51.2 | Low | 130 Ų | 130 | 158.9 Ų | 158.9 | 84% | 0.844 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 148.4 | -171 | 32.9 | -32.7 | 0 | 0 | 0 | 112.7 | A250 | P248-A250 PolarHBondContact O-N 3.43Š|
| 249 | R | 46.5 | Very low | 51.6 | Low | 252 Ų | 252 | 158.9 Ų | 158.9 | 95% | 0.951 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 116.1 | 174.5 | -107.9 | 174.3 | 169.8 | -175.7 | -3.6 | 111.3 | ||
| 250 | A | 53.6 | Low | 52.6 | Low | 99 Ų | 99 | 157.4 Ų | 157.4 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 127 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | P248 | P248-A250 PolarHBondContact O-N 3.43Š|
| 251 | T | 47.1 | Very low | 52.8 | Low | 135 Ų | 135 | 158.3 Ų | 158.3 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 124.5 | 171.7 | 44.3 | 0 | 0 | 0 | 0 | 111.1 | ||
| 252 | Y | 50.6 | Low | 53.3 | Low | 215 Ų | 215 | 149.3 Ų | 149.3 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -106.6 | 110.5 | 164.7 | -166.8 | -95.8 | 0 | 0 | 0 | 108.2 | ||||
| 253 | S | 57.1 | Low | 53.8 | Low | 102 Ų | 102 | 154.6 Ų | 154.6 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -89 | 119.1 | 175.6 | -64.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 254 | P | 71.9 | Confident | 54.5 | Low | 105 Ų | 105 | 153.4 Ų | 153.4 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 149.4 | 171.5 | 30.4 | -32 | 0 | 0 | 0 | 111.7 | ||
| 255 | P | 66.7 | Low | 54.5 | Low | 120 Ų | 120 | 151.6 Ų | 151.6 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 146.4 | 178.8 | 31 | -32.8 | 0 | 0 | 0 | 112.4 | ||
| 256 | F | 45.2 | Very low | 54.6 | Low | 183 Ų | 183 | 152.7 Ų | 152.7 | 80% | 0.803 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 120.9 | -179.1 | -142.2 | -101 | 0 | 0 | 0 | 111.6 | R258 | F256-R258 HydrophobicContact CE1-CB 4.41Š|
| 257 | V | 56.5 | Low | 55 | Low | 141 Ų | 141 | 145.7 Ų | 145.7 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | -137 | 109.5 | 158.2 | -152.2 | 0 | 0 | 0 | 0 | 108.2 | E259 | V257-E259 PolarHBondContact O-N 3.05Š| ||
| 258 | R | 52.4 | Low | 55 | Low | 192 Ų | 192 | 153.3 Ų | 153.3 | 73% | 0.725 | 78% | 0.775 | S | S | * | * | trans | -87 | 104.9 | -174.2 | -165.2 | 173.7 | 175.8 | 167.9 | -2.1 | 108.2 | F256 | F256-R258 HydrophobicContact CE1-CB 4.41Š| ||
| 259 | E | 47.7 | Very low | 54.8 | Low | 154 Ų | 154 | 150.6 Ų | 150.6 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -74.3 | 116.5 | 169.1 | -157.5 | 178.9 | 137.6 | 0 | 0 | 108.4 | V257 N261 | V257-E259 PolarHBondContact O-N 3.05Å; E259-N261 PolarHBondContact OE1-ND2 3.26Å | ||
| 260 | M | 64.9 | Low | 55.3 | Low | 164 Ų | 164 | 150.1 Ų | 150.1 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | trans | -118.4 | 95.1 | 160 | -87.4 | -137 | 161.7 | 0 | 0 | 108.9 | ||||
| 261 | N | 50.9 | Low | 55.4 | Low | 134 Ų | 134 | 157.2 Ų | 157.2 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | trans | -56.9 | 137.6 | 157.3 | -72 | -59.7 | 0 | 0 | 0 | 110 | E259 | E259-N261 PolarHBondContact OE1-ND2 3.26Š| ||
| 262 | G | 50.9 | Low | 55.7 | Low | 61 Ų | 61 | 154.2 Ų | 154.2 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | trans | 147.7 | 105.7 | 142.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 263 | R | 57.5 | Low | 56.1 | Low | 219 Ų | 219 | 154.9 Ų | 154.9 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | 82.8 | 121.7 | 125.1 | -64.3 | 175.8 | -176.8 | 175.5 | 1.6 | 118.3 | |||||
| 264 | R | 58.2 | Low | 56.1 | Low | 215 Ų | 215 | 156.4 Ų | 156.4 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | 71.7 | 148.6 | 130.4 | -71.9 | -179.7 | -166.2 | -165.5 | 1.9 | 115.9 | ||||
| 265 | D | 54.8 | Low | 55.4 | Low | 122 Ų | 122 | 157.8 Ų | 157.8 | 65% | 0.652 | 77% | 0.773 | S | S | * | * | cis | -172 | 162.1 | -21.2 | -135.9 | -49.5 | 0 | 0 | 0 | 102.7 | ||||
| 266 | E | 53.5 | Low | 54.9 | Low | 141 Ų | 141 | 162.3 Ų | 162.3 | 66% | 0.659 | 78% | 0.775 | S | S | * | * | trans | 40.8 | 117.6 | 150.4 | -74.2 | 166.6 | 111.9 | 0 | 0 | 120.9 | ||||
| 267 | S | 57.3 | Low | 55.5 | Low | 109 Ų | 109 | 162.8 Ų | 162.8 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | 168.2 | 98.9 | 115.3 | -73.6 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 268 | R | 54.7 | Low | 55.6 | Low | 227 Ų | 227 | 166 Ų | 166 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | 55 | 94.9 | 93.9 | -68.9 | -174.2 | -178.9 | 173.4 | 4.2 | 114.1 | |||||
| 269 | G | 51.8 | Low | 55.9 | Low | 72 Ų | 72 | 171.9 Ų | 171.9 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | 102 | 159.9 | 115.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 270 | R | 57.2 | Low | 56.3 | Low | 242 Ų | 242 | 172.8 Ų | 172.8 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | trans | 89.1 | 86.3 | 174.3 | -52.3 | -170.7 | -177.2 | -151.2 | 1.7 | 113.1 | ||||
| 271 | R | 56.5 | Low | 55.9 | Low | 248 Ų | 248 | 173.3 Ų | 173.3 | 94% | 0.936 | 79% | 0.793 | S | S | * | * | 46.2 | 100.6 | 73.8 | -66.1 | -167.4 | -175.8 | -171.6 | 2 | 113 | |||||
| 272 | G | 53.4 | Low | 56.2 | Low | 72 Ų | 72 | 175.4 Ų | 175.4 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | 81.4 | 153.8 | 115.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 273 | R | 58.5 | Low | 56.5 | Low | 229 Ų | 229 | 182.2 Ų | 182.2 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | 86.9 | 103.4 | 169.1 | -60.9 | -173.1 | -172.3 | 178.4 | 2.2 | 114.4 | ||||
| 274 | D | 57.3 | Low | 56.4 | Low | 135 Ų | 135 | 179.9 Ų | 179.9 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | 78.3 | 131.2 | 75.5 | -72.1 | -41.5 | 0 | 0 | 0 | 111.5 | |||||
| 275 | D | 58 | Low | 56.3 | Low | 133 Ų | 133 | 177.5 Ų | 177.5 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | 69.2 | 112.8 | 142.6 | -78.1 | -35.1 | 0 | 0 | 0 | 118.9 | ||||
| 276 | R | 55.3 | Low | 56.4 | Low | 216 Ų | 216 | 181.5 Ų | 181.5 | 82% | 0.815 | 82% | 0.816 | S | S | * | * | 142.3 | 107.2 | 125.6 | -79.6 | 154.5 | -161 | -156.9 | 9 | 110 | |||||
| 277 | R | 57.7 | Low | 56.6 | Low | 192 Ų | 192 | 184.6 Ų | 184.6 | 73% | 0.725 | 83% | 0.829 | S | S | * | * | 82.6 | 126.7 | 88.5 | -84.4 | -172.3 | -179.4 | -160.1 | -1.1 | 112.5 | |||||
| 278 | R | 59.7 | Low | 56.6 | Low | 208 Ų | 208 | 190.9 Ų | 190.9 | 79% | 0.785 | 83% | 0.834 | S | S | * | * | trans | 74.2 | 131.2 | 147.3 | -61.5 | 165.7 | 179 | -164.4 | -3.2 | 113.3 | ||||
| 279 | R | 58.7 | Low | 56.7 | Low | 317 Ų | 317 | 187.6 Ų | 187.6 | 100% | 1.196 | 83% | 0.832 | S | S | * | * | cis | -143.5 | 0 | 27.7 | -77.1 | 178.2 | 164.3 | 175 | -6.2 | 110 |
Retrieved 279 of 279 residues in 119.6 ms
(Link to these results)