| 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 | 88.2 | Confident | 86.3 | Confident | 54 Ų | 54 | 37.5 Ų | 37.5 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | 0 | 145.3 | 0 | 179.2 | 166 | 167.9 | 0 | 0 | 110.1 | H41 M42 N45 A48 L49 I52 M70 | M1-H41 CarbonylContact O-C 3.57Å; M1-H41 WeakPolarHBondContact O-CA 3.27Å; M1-M42 PolarHBondContact N-O 3.4Å; M1-M42 PolarHBondContact O-N 3.22Å; M1-N45 HydrophobicContact SD-CB 4.41Å; M1-A48 HydrophobicContact CB-CB 3.86Å; M1-A48 HydrophobicContact CE-CB 4.3Å; M1-A48 HydrophobicContact CG-CB 3.86Å; M1-A48 HydrophobicContact SD-CB 3.53Å; M1-A48 VanDerWaalsContact SD-CB 3.53Å; M1-L49 HydrophobicContact CE-CD2 4.43Å; M1-I52 HydrophobicContact CE-CD1 3.77Å; M1-M70 HydrophobicContact CE-CB 4.13Å; M1-M70 HydrophobicContact CE-CE 4.11Å; M1-M70 HydrophobicContact CE-CG 3.53Å; M1-M70 HydrophobicContact CE-SD 3.77Å | |||
| 2 | K | 92.8 | Very high | 85.8 | Confident | 79 Ų | 79 | 40.6 Ų | 40.6 | 34% | 0.343 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 131.4 | 177.2 | -169.6 | -176.6 | 176.8 | 179.6 | 0 | 110.6 | F39 H41 S71 | K2-F39 HydrophobicContact CD-CD1 4.41Å; K2-F39 VanDerWaalsContact CE-CG 3.45Å; K2-H41 WeakPolarHBondContact CD-NE2 3.31Å; K2-H41 WeakPolarHBondContact CG-NE2 3.29Å; K2-S71 VanDerWaalsContact CD-OG 3.31Å; K2-S71 WeakPolarHBondContact CD-OG 3.33Å; K2-S71 WeakPolarHBondContact CE-OG 3.42Å; K2-S71 VanDerWaalsContact CG-CB 3.49Å; K2-S71 VanDerWaalsContact O-CB 3.24Å; K2-S71 WeakPolarHBondContact O-CB 3.43Å; K2-S71 PolarHBondContact O-N 3.42Å |
| 3 | I | 93.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 140.9 | -179.9 | -54.7 | 179.3 | 0 | 0 | 0 | 108.3 | V5 F22 F39 V40 M42 A48 A51 I52 V68 E69 | I3-V5 HydrophobicContact CG2-CG2 4.26Å; I3-F22 HydrophobicContact CD1-CD1 3.87Å; I3-F22 HydrophobicContact CD1-CE1 3.57Å; I3-F22 HydrophobicContact CG2-CE1 3.98Å; I3-F22 HydrophobicContact CG2-CZ 4.25Å; I3-F39 WeakPolarHBondContact O-CA 3.27Å; I3-V40 HydrophobicContact CB-CB 4.36Å; I3-V40 WeakPolarHBondContact CB-O 3.46Å; I3-V40 PolarHBondContact N-O 3.27Å; I3-V40 PolarHBondContact O-N 3.33Å; I3-M42 HydrophobicContact CD1-CG 3.53Å; I3-M42 HydrophobicContact CG1-CG 4.3Å; I3-A48 HydrophobicContact CD1-CB 3.75Å; I3-A48 HydrophobicContact CG1-CB 4.12Å; I3-A51 HydrophobicContact CD1-CB 4.29Å; I3-I52 HydrophobicContact CD1-CG1 4.38Å; I3-I52 HydrophobicContact CG1-CD1 4.41Å; I3-I52 HydrophobicContact CG1-CG1 4.47Å; I3-I52 HydrophobicContact CG2-CG1 4.07Å; I3-V68 HydrophobicContact CG2-CG1 3.49Å; I3-V68 VanDerWaalsContact CG2-CG1 3.49Å; I3-E69 WeakPolarHBondContact CA-O 3.35Å; I3-E69 VanDerWaalsContact CG2-O 3.31Å; I3-E69 WeakPolarHBondContact CG2-O 3.43Å |
| 4 | F | 92.5 | Very high | 85.8 | Confident | 60 Ų | 60 | 40.1 Ų | 40.1 | 26% | 0.263 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 133 | 168.4 | 171.2 | -99.3 | 0 | 0 | 0 | 108.8 | F37 F39 V68 E69 | F4-F37 HydrophobicContact CD2-CB 4.38Å; F4-F37 HydrophobicContact CD2-CD2 4.46Å; F4-F37 HydrophobicContact CE2-CB 3.51Å; F4-F37 HydrophobicContact CE2-CD1 4.39Å; F4-F37 AromaticContact CE2-CD2 3.88Å; F4-F37 HydrophobicContact CE2-CD2 3.88Å; F4-F37 AromaticContact CE2-CG 3.68Å; F4-F37 HydrophobicContact CE2-CG 3.68Å; F4-F37 HydrophobicContact CZ-CB 3.81Å; F4-F37 HydrophobicContact CZ-CG 4.29Å; F4-F39 HydrophobicContact CB-CD1 4.29Å; F4-F39 HydrophobicContact CB-CE1 4.13Å; F4-F39 HydrophobicContact CD2-CD1 4.18Å; F4-F39 AromaticContact CD2-CE1 3.61Å; F4-F39 HydrophobicContact CD2-CE1 3.61Å; F4-F39 HydrophobicContact CD2-CZ 4.04Å; F4-F39 HydrophobicContact CG-CE1 4.36Å; F4-V68 WeakPolarHBondContact O-CA 3.42Å; F4-E69 PolarHBondContact N-O 2.92Å; F4-E69 PolarHBondContact O-N 3.39Å |
| 5 | V | 90.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 96.4 | 178.6 | -172.7 | 0 | 0 | 0 | 0 | 107 | I3 V8 L18 F22 F37 A38 V40 L66 V67 V68 | I3-V5 HydrophobicContact CG2-CG2 4.26Å; V5-V8 HydrophobicContact CB-CG2 4.07Å; V5-V8 HydrophobicContact CG1-CG2 3.45Å; V5-V8 VanDerWaalsContact CG1-CG2 3.45Å; V5-V8 WeakPolarHBondContact O-CG2 3.46Å; V5-L18 HydrophobicContact CG1-CD2 4.4Å; V5-F22 HydrophobicContact CG2-CE2 3.82Å; V5-F22 HydrophobicContact CG2-CZ 3.6Å; V5-F37 CarbonylContact O-C 3.41Å; V5-F37 WeakPolarHBondContact O-CA 3.41Å; V5-F37 WeakPolarHBondContact O-CB 3.43Å; V5-A38 HydrophobicContact CB-CB 4.28Å; V5-A38 PolarHBondContact N-O 2.93Å; V5-A38 PolarHBondContact O-N 2.78Å; V5-V40 HydrophobicContact CG2-CG2 3.99Å; V5-L66 HydrophobicContact CG1-CB 4.4Å; V5-L66 HydrophobicContact CG1-CD1 4.04Å; V5-L66 HydrophobicContact CG1-CD2 4.12Å; V5-L66 HydrophobicContact CG1-CG 4.43Å; V5-V67 CarbonylContact C-O 3.34Å; V5-V68 HydrophobicContact CG1-CG2 4.23Å |
| 6 | G | 88.3 | Confident | 86.3 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 166.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V8 V67 | G6-V8 PolarHBondContact O-N 3.22Å; G6-V67 PolarHBondContact N-O 2.78Å; G6-V67 PolarHBondContact O-N 3.23Å |
| 7 | N | 85.9 | Confident | 86.5 | Confident | 65 Ų | 65 | 49.1 Ų | 49.1 | 35% | 0.348 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 64.4 | 19.3 | 179.2 | -152.8 | 36.8 | 0 | 0 | 0 | 114.9 | Q36 A65 V67 | N7-Q36 PolarHBondContact N-O 3.09Å; N7-Q36 VanDerWaalsContact N-O 3.13Å; N7-A65 WeakPolarHBondContact CB-O 3.36Å; N7-A65 PolarHBondContact ND2-O 3.04Å; N7-V67 HydrophobicContact CB-CG2 4.32Å |
| 8 | V | 84.4 | Confident | 86.6 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | trans | -75.2 | 139.3 | 170.5 | 178.1 | 0 | 0 | 0 | 0 | 109 | V5 G6 G10 T13 L18 V33 Q36 A38 L66 | V5-V8 HydrophobicContact CB-CG2 4.07Å; V5-V8 HydrophobicContact CG1-CG2 3.45Å; V5-V8 VanDerWaalsContact CG1-CG2 3.45Å; V5-V8 WeakPolarHBondContact O-CG2 3.46Å; G6-V8 PolarHBondContact O-N 3.22Å; V8-G10 PolarHBondContact O-N 3.36Å; V8-T13 HydrophobicContact CG1-CG2 3.78Å; V8-L18 HydrophobicContact CG1-CD1 4.26Å; V8-L18 HydrophobicContact CG2-CD1 4.3Å; V8-V33 HydrophobicContact CG1-CG1 4.35Å; V8-Q36 PolarHBondContact N-O 3.33Å; V8-Q36 CarbonylContact O-C 3.45Å; V8-Q36 WeakPolarHBondContact O-CA 3.35Å; V8-A38 HydrophobicContact CG2-CB 4.36Å; V8-L66 HydrophobicContact CG2-CD2 3.71Å | ||
| 9 | D | 81.5 | Confident | 86.9 | Confident | 26 Ų | 26 | 45.4 Ų | 45.4 | 14% | 0.139 | 26% | 0.261 | C | S | . | . | trans | -87.6 | 104 | 167.8 | -159 | -32.1 | 0 | 0 | 0 | 110.7 | A11 D12 T13 R64 | D9-A11 PolarHBondContact O-N 3.45Å; D9-A11 VanDerWaalsContact O-N 3.12Å; D9-A11 WeakPolarHBondContact OD1-CB 3.37Å; D9-A11 PolarHBondContact OD1-N 3.35Å; D9-A11 VanDerWaalsContact OD1-N 3.09Å; D9-D12 HydrophobicContact CB-CB 3.91Å; D9-D12 PolarHBondContact O-N 3.05Å; D9-T13 WeakPolarHBondContact O-CB 3.41Å; D9-T13 PolarHBondContact O-N 2.78Å; D9-T13 PolarHBondContact O-OG1 3.22Å; D9-R64 IonicContact OD2-CZ 2.62Å; D9-R64 IonicContact OD2-NH1 3.61Å; D9-R64 PolarHBondContact OD2-NH1 3.21Å; D9-R64 IonicContact OD2-NH2 2.73Å; D9-R64 PolarHBondContact OD2-NH2 3.27Å | ||
| 10 | G | 75.9 | Confident | 87 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 32% | 0.32 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -5.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | V8 K35 | V8-G10 PolarHBondContact O-N 3.36Å; G10-K35 WeakPolarHBondContact CA-O 3.38Å; G10-K35 PolarHBondContact N-O 2.84Å |
| 11 | A | 76.7 | Confident | 87.1 | Confident | 92 Ų | 92 | 45.9 Ų | 45.9 | 76% | 0.76 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -19.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113 | D9 | D9-A11 PolarHBondContact O-N 3.45Å; D9-A11 VanDerWaalsContact O-N 3.12Å; D9-A11 WeakPolarHBondContact OD1-CB 3.37Å; D9-A11 PolarHBondContact OD1-N 3.35Å; D9-A11 VanDerWaalsContact OD1-N 3.09Å |
| 12 | D | 80.4 | Confident | 87.2 | Confident | 75 Ų | 75 | 43.3 Ų | 43.3 | 40% | 0.401 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | -25.9 | -154.9 | -116.7 | -33.9 | 0 | 0 | 0 | 112.3 | D9 R61 | D9-D12 HydrophobicContact CB-CB 3.91Å; D9-D12 PolarHBondContact O-N 3.05Å; D12-R61 PolarHBondContact O-NH2 3.45Å; D12-R61 IonicContact OD1-CZ 2.89Å; D12-R61 IonicContact OD1-NH1 3.63Å; D12-R61 PolarHBondContact OD1-NH1 3.09Å; D12-R61 IonicContact OD1-NH2 2.71Å; D12-R61 PolarHBondContact OD1-NH2 3.47Å; D12-R61 IonicContact OD2-CZ 3.19Å; D12-R61 IonicContact OD2-NH1 3.53Å; D12-R61 PolarHBondContact OD2-NH1 2.75Å; D12-R61 IonicContact OD2-NH2 3.38Å |
| 13 | T | 82.5 | Confident | 87.1 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 5% | 0.049 | 26% | 0.263 | C | S | . | . | trans | -100.6 | 123.8 | 176.1 | -53.2 | 0 | 0 | 0 | 0 | 109.8 | V8 D9 E17 L18 L60 | V8-T13 HydrophobicContact CG1-CG2 3.78Å; D9-T13 WeakPolarHBondContact O-CB 3.41Å; D9-T13 PolarHBondContact O-N 2.78Å; D9-T13 PolarHBondContact O-OG1 3.22Å; T13-E17 WeakPolarHBondContact CA-OE2 3.28Å; T13-L18 HydrophobicContact CG2-CD1 4.23Å; T13-L18 HydrophobicContact CG2-CD2 3.98Å; T13-L18 HydrophobicContact CG2-CG 3.74Å; T13-L60 HydrophobicContact CG2-CD1 3.68Å | ||
| 14 | T | 88.4 | Confident | 87 | Confident | 66 Ų | 66 | 46.9 Ų | 46.9 | 41% | 0.405 | 29% | 0.294 | S | S | . | . | trans | -84.8 | 155.1 | 177.9 | 68.1 | 0 | 0 | 0 | 0 | 111.5 | E16 E17 L18 | T14-E16 PolarHBondContact O-N 3.39Å; T14-E17 PolarHBondContact N-OE2 2.89Å; T14-E17 PolarHBondContact O-N 2.97Å; T14-E17 VanDerWaalsContact OG1-CB 3.31Å; T14-E17 WeakPolarHBondContact OG1-CB 3.49Å; T14-E17 PolarHBondContact OG1-N 2.86Å; T14-L18 PolarHBondContact O-N 3.03Å | ||
| 15 | P | 89.7 | Confident | 86.9 | Confident | 59 Ų | 59 | 47.1 Ų | 47.1 | 38% | 0.383 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63 | -23.8 | 171.1 | 26.3 | -34.9 | 0 | 0 | 0 | 112.5 | A19 C31 V33 | P15-A19 VanDerWaalsContact O-CB 3.28Å; P15-A19 WeakPolarHBondContact O-CB 3.27Å; P15-A19 PolarHBondContact O-N 2.69Å; P15-C31 HydrophobicContact CB-CB 4.21Å; P15-C31 PolarHBondContact O-SG 3.02Å; P15-V33 HydrophobicContact CB-CG2 3.95Å |
| 16 | E | 89.7 | Confident | 86.9 | Confident | 153 Ų | 153 | 47.9 Ų | 47.9 | 72% | 0.715 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -73.2 | -43.8 | 176.6 | -66.2 | 171.7 | -166.6 | 0 | 0 | 111.6 | T14 L18 A19 A20 | T14-E16 PolarHBondContact O-N 3.39Å; E16-L18 PolarHBondContact O-N 3.22Å; E16-A19 PolarHBondContact O-N 3.08Å; E16-A19 VanDerWaalsContact O-N 3.14Å; E16-A20 WeakPolarHBondContact O-CB 3.45Å; E16-A20 PolarHBondContact O-N 3.15Å |
| 17 | E | 89.5 | Confident | 87.2 | Confident | 61 Ų | 61 | 51 Ų | 51 | 29% | 0.285 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 174.1 | -178.1 | -177.5 | -174.6 | 0 | 0 | 111.2 | T13 T14 A20 L21 L60 | T13-E17 WeakPolarHBondContact CA-OE2 3.28Å; T14-E17 PolarHBondContact N-OE2 2.89Å; T14-E17 PolarHBondContact O-N 2.97Å; T14-E17 VanDerWaalsContact OG1-CB 3.31Å; T14-E17 WeakPolarHBondContact OG1-CB 3.49Å; T14-E17 PolarHBondContact OG1-N 2.86Å; E17-A20 PolarHBondContact O-N 3.48Å; E17-L21 WeakPolarHBondContact O-CG 2.98Å; E17-L21 PolarHBondContact O-N 3.25Å; E17-L21 VanDerWaalsContact O-N 3.09Å; E17-L60 HydrophobicContact CG-CD2 4.3Å; E17-L60 WeakPolarHBondContact OE1-CD2 3.48Å |
| 18 | L | 89.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 172.1 | -68.2 | 179.4 | 0 | 0 | 0 | 112.2 | V5 V8 T13 T14 E16 A20 L21 F22 V33 A38 L60 L66 | V5-L18 HydrophobicContact CG1-CD2 4.4Å; V8-L18 HydrophobicContact CG1-CD1 4.26Å; V8-L18 HydrophobicContact CG2-CD1 4.3Å; T13-L18 HydrophobicContact CG2-CD1 4.23Å; T13-L18 HydrophobicContact CG2-CD2 3.98Å; T13-L18 HydrophobicContact CG2-CG 3.74Å; T14-L18 PolarHBondContact O-N 3.03Å; E16-L18 PolarHBondContact O-N 3.22Å; L18-A20 PolarHBondContact O-N 3.34Å; L18-L21 HydrophobicContact CD2-CD1 4.04Å; L18-L21 PolarHBondContact O-N 3.44Å; L18-F22 VanDerWaalsContact O-CD2 3.27Å; L18-F22 WeakPolarHBondContact O-CD2 3.47Å; L18-F22 PolarHBondContact O-N 3.43Å; L18-F22 VanDerWaalsContact O-N 3.08Å; L18-V33 HydrophobicContact CD1-CG2 3.67Å; L18-A38 HydrophobicContact CD1-CB 3.25Å; L18-L60 HydrophobicContact CD2-CD1 3.74Å; L18-L66 HydrophobicContact CD2-CD1 4.4Å |
| 19 | A | 91.1 | Very high | 87.9 | Confident | 28 Ų | 28 | 55.8 Ų | 55.8 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.5 | -38 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P15 E16 F22 A23 V28 C31 | P15-A19 VanDerWaalsContact O-CB 3.28Å; P15-A19 WeakPolarHBondContact O-CB 3.27Å; P15-A19 PolarHBondContact O-N 2.69Å; E16-A19 PolarHBondContact O-N 3.08Å; E16-A19 VanDerWaalsContact O-N 3.14Å; A19-F22 PolarHBondContact O-N 3.01Å; A19-A23 WeakPolarHBondContact O-CB 3.44Å; A19-A23 PolarHBondContact O-N 3.36Å; A19-V28 HydrophobicContact CB-CG1 4.34Å; A19-C31 HydrophobicContact CB-CB 4.45Å |
| 20 | A | 90.4 | Very high | 88.3 | Confident | 64 Ų | 64 | 57.4 Ų | 57.4 | 53% | 0.529 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | E16 E17 L18 F22 P24 | E16-A20 WeakPolarHBondContact O-CB 3.45Å; E16-A20 PolarHBondContact O-N 3.15Å; E17-A20 PolarHBondContact O-N 3.48Å; L18-A20 PolarHBondContact O-N 3.34Å; A20-F22 VanDerWaalsContact C-N 3.34Å; A20-F22 PolarHBondContact O-N 2.91Å; A20-P24 WeakPolarHBondContact O-CD 3.17Å |
| 21 | L | 88.8 | Confident | 89.1 | Confident | 37 Ų | 37 | 57.3 Ų | 57.3 | 19% | 0.194 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.5 | -36.1 | 174.1 | -69.5 | 169.1 | 0 | 0 | 0 | 113.2 | E17 L18 P24 L55 L60 | E17-L21 WeakPolarHBondContact O-CG 2.98Å; E17-L21 PolarHBondContact O-N 3.25Å; E17-L21 VanDerWaalsContact O-N 3.09Å; L18-L21 HydrophobicContact CD2-CD1 4.04Å; L18-L21 PolarHBondContact O-N 3.44Å; L21-P24 WeakPolarHBondContact O-CD 3.31Å; L21-P24 WeakPolarHBondContact O-CG 3.44Å; L21-L55 HydrophobicContact CB-CD1 4.4Å; L21-L60 HydrophobicContact CD1-CD1 3.72Å; L21-L60 HydrophobicContact CD1-CD2 3.47Å; L21-L60 VanDerWaalsContact CD1-CD2 3.47Å; L21-L60 HydrophobicContact CD1-CG 3.64Å; L21-L60 HydrophobicContact CD2-CD2 4.36Å; L21-L60 HydrophobicContact CG-CD2 4.35Å |
| 22 | F | 90 | Very high | 89.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -85.3 | -23.3 | -179.2 | -80.4 | -96.2 | 0 | 0 | 0 | 113.1 | I3 V5 L18 A19 A20 Y25 G26 V28 V40 M42 A51 L55 V68 | I3-F22 HydrophobicContact CD1-CD1 3.87Å; I3-F22 HydrophobicContact CD1-CE1 3.57Å; I3-F22 HydrophobicContact CG2-CE1 3.98Å; I3-F22 HydrophobicContact CG2-CZ 4.25Å; V5-F22 HydrophobicContact CG2-CE2 3.82Å; V5-F22 HydrophobicContact CG2-CZ 3.6Å; L18-F22 VanDerWaalsContact O-CD2 3.27Å; L18-F22 WeakPolarHBondContact O-CD2 3.47Å; L18-F22 PolarHBondContact O-N 3.43Å; L18-F22 VanDerWaalsContact O-N 3.08Å; A19-F22 PolarHBondContact O-N 3.01Å; A20-F22 VanDerWaalsContact C-N 3.34Å; A20-F22 PolarHBondContact O-N 2.91Å; F22-Y25 PolarHBondContact O-N 3.43Å; F22-Y25 VanDerWaalsContact O-N 3.08Å; F22-G26 PolarHBondContact O-N 3.14Å; F22-V28 HydrophobicContact CB-CG2 3.72Å; F22-V40 HydrophobicContact CB-CG1 4.09Å; F22-V40 HydrophobicContact CD1-CB 4.44Å; F22-V40 HydrophobicContact CD1-CG1 4.08Å; F22-V40 HydrophobicContact CD2-CG1 4.44Å; F22-V40 HydrophobicContact CD2-CG2 4Å; F22-V40 HydrophobicContact CE2-CG2 4.03Å; F22-V40 HydrophobicContact CG-CB 4.46Å; F22-V40 HydrophobicContact CG-CG1 3.93Å; F22-V40 HydrophobicContact CG-CG2 4.3Å; F22-V40 HydrophobicContact CZ-CG2 4.37Å; F22-M42 HydrophobicContact CB-CE 4.44Å; F22-M42 HydrophobicContact CB-SD 4.05Å; F22-M42 HydrophobicContact CD1-SD 4.15Å; F22-M42 WeakPolarHBondContact O-CE 3.25Å; F22-A51 HydrophobicContact CD1-CB 3.63Å; F22-A51 HydrophobicContact CE1-CB 3.73Å; F22-L55 HydrophobicContact CD1-CD1 3.94Å; F22-L55 HydrophobicContact CD2-CD1 3.76Å; F22-L55 HydrophobicContact CE1-CD1 3.78Å; F22-L55 HydrophobicContact CE2-CD1 3.62Å; F22-L55 HydrophobicContact CG-CD1 3.93Å; F22-L55 HydrophobicContact CZ-CD1 3.63Å; F22-V68 HydrophobicContact CE1-CG1 4.08Å; F22-V68 HydrophobicContact CZ-CG1 3.78Å; F22-V68 HydrophobicContact CZ-CG2 4.3Å |
| 23 | A | 90.6 | Very high | 90.2 | Very high | 56 Ų | 56 | 53.5 Ų | 53.5 | 46% | 0.463 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -50.4 | -45.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | A19 Y25 G26 | A19-A23 WeakPolarHBondContact O-CB 3.44Å; A19-A23 PolarHBondContact O-N 3.36Å; A23-Y25 PolarHBondContact O-N 3.48Å; A23-Y25 VanDerWaalsContact O-N 3.15Å; A23-G26 PolarHBondContact O-N 2.84Å |
| 24 | P | 90.9 | Very high | 90.4 | Very high | 99 Ų | 99 | 57.7 Ų | 57.7 | 64% | 0.643 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -63.3 | -19.6 | 178.6 | 23.3 | -34.7 | 0 | 0 | 0 | 113.9 | A20 L21 | A20-P24 WeakPolarHBondContact O-CD 3.17Å; L21-P24 WeakPolarHBondContact O-CD 3.31Å; L21-P24 WeakPolarHBondContact O-CG 3.44Å |
| 25 | Y | 91.5 | Very high | 90.1 | Very high | 64 Ų | 64 | 60 Ų | 60 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -93.5 | -18 | 179.7 | -58 | -77.3 | 0 | 0 | 0 | 113.3 | F22 A23 G47 R50 A51 A54 L55 | F22-Y25 PolarHBondContact O-N 3.43Å; F22-Y25 VanDerWaalsContact O-N 3.08Å; A23-Y25 PolarHBondContact O-N 3.48Å; A23-Y25 VanDerWaalsContact O-N 3.15Å; Y25-G47 WeakPolarHBondContact O-CA 3.45Å; Y25-R50 HydrophobicContact CD1-CB 4.04Å; Y25-R50 PolarHBondContact O-NH2 3.25Å; Y25-A51 HydrophobicContact CD2-CB 3.99Å; Y25-A51 HydrophobicContact CG-CB 3.8Å; Y25-A54 HydrophobicContact CE1-CB 3.56Å; Y25-A54 VanDerWaalsContact OH-CB 3.29Å; Y25-A54 WeakPolarHBondContact OH-CB 3.3Å; Y25-L55 HydrophobicContact CD2-CD1 4.1Å; Y25-L55 HydrophobicContact CD2-CG 4.44Å; Y25-L55 HydrophobicContact CE2-CD1 3.94Å; Y25-L55 HydrophobicContact CE2-CD2 3.99Å; Y25-L55 HydrophobicContact CE2-CG 3.85Å |
| 26 | G | 90.2 | Very high | 89.8 | Confident | 16 Ų | 16 | 60.9 Ų | 60.9 | 17% | 0.165 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 160.6 | 178.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | F22 A23 V28 M42 | F22-G26 PolarHBondContact O-N 3.14Å; A23-G26 PolarHBondContact O-N 2.84Å; G26-V28 PolarHBondContact O-N 3.28Å; G26-M42 WeakPolarHBondContact O-CE 3.36Å |
| 27 | T | 92.9 | Very high | 89.7 | Confident | 69 Ų | 69 | 54.7 Ų | 54.7 | 42% | 0.423 | 32% | 0.321 | S | S | . | . | trans | -69.1 | 116 | -178 | -42.9 | 0 | 0 | 0 | 0 | 112.5 | R43 | T27-R43 PolarHBondContact O-N 2.95Š| ||
| 28 | V | 93.1 | Very high | 89.8 | Confident | 37 Ų | 37 | 51.8 Ų | 51.8 | 22% | 0.224 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 120.2 | 168.9 | -179.4 | 0 | 0 | 0 | 0 | 109.4 | A19 F22 G26 C31 V40 M42 | A19-V28 HydrophobicContact CB-CG1 4.34Å; F22-V28 HydrophobicContact CB-CG2 3.72Å; G26-V28 PolarHBondContact O-N 3.28Å; V28-C31 HydrophobicContact CG1-CB 4.41Å; V28-V40 HydrophobicContact CG1-CG1 3.93Å; V28-V40 HydrophobicContact CG2-CG1 4.12Å; V28-M42 HydrophobicContact CG2-SD 3.8Å |
| 29 | M | 92.4 | Very high | 89.9 | Confident | 130 Ų | 130 | 53.3 Ų | 53.3 | 64% | 0.64 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | -33.6 | 174.5 | -65.4 | -174.1 | 71.5 | 0 | 0 | 112.8 | H41 R43 | M29-H41 HydrophobicContact CB-CB 4.37Å; M29-H41 PolarHBondContact N-O 3.47Å; M29-R43 HydrophobicContact CG-CB 3.95Å; M29-R43 HydrophobicContact SD-CB 4.02Å; M29-R43 HydrophobicContact SD-CG 4.46Å |
| 30 | S | 91.3 | Very high | 90 | Very high | 60 Ų | 60 | 52 Ų | 52 | 42% | 0.42 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 130.4 | -179.7 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | H41 | S30-H41 PolarHBondContact N-O 2.99Å; S30-H41 PolarHBondContact O-N 2.92Å |
| 31 | C | 91.7 | Very high | 90.2 | Very high | 29 Ų | 29 | 52.3 Ų | 52.3 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 135.5 | 168.6 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | P15 A19 V28 F39 | P15-C31 HydrophobicContact CB-CB 4.21Å; P15-C31 PolarHBondContact O-SG 3.02Å; A19-C31 HydrophobicContact CB-CB 4.45Å; V28-C31 HydrophobicContact CG1-CB 4.41Å; C31-F39 WeakPolarHBondContact CA-O 3.45Å |
| 32 | A | 91.1 | Very high | 90.4 | Very high | 48 Ų | 48 | 50.6 Ų | 50.6 | 40% | 0.397 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 108.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110 | A38 F39 | A32-A38 CarbonylContact O-C 3.52Å; A32-A38 VanDerWaalsContact O-CA 3.25Å; A32-A38 WeakPolarHBondContact O-CA 3.24Å; A32-F39 PolarHBondContact N-O 3.38Å; A32-F39 PolarHBondContact O-N 3.08Å |
| 33 | V | 90 | Very high | 90.6 | Very high | 40 Ų | 40 | 58.3 Ų | 58.3 | 24% | 0.242 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 142.2 | 173.6 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | V8 P15 L18 A38 | V8-V33 HydrophobicContact CG1-CG1 4.35Å; P15-V33 HydrophobicContact CB-CG2 3.95Å; L18-V33 HydrophobicContact CD1-CG2 3.67Å; V33-A38 HydrophobicContact CB-CB 4.43Å; V33-A38 HydrophobicContact CG2-CB 3.97Å |
| 34 | M | 85.1 | Confident | 90.7 | Very high | 96 Ų | 96 | 60 Ų | 60 | 47% | 0.473 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 169.8 | 172.9 | -153.9 | 168.4 | -64.7 | 0 | 0 | 109 | Q36 F37 | M34-Q36 VanDerWaalsContact C-N 3.29Å; M34-Q36 PolarHBondContact O-N 3.49Å; M34-F37 CarbonylContact C-O 3.56Å; M34-F37 VanDerWaalsContact CA-O 3.27Å; M34-F37 WeakPolarHBondContact CA-O 3.49Å; M34-F37 HydrophobicContact CB-CD2 3.98Å; M34-F37 HydrophobicContact CB-CE2 3.65Å; M34-F37 HydrophobicContact CB-CZ 4.01Å; M34-F37 VanDerWaalsContact CB-O 3.3Å; M34-F37 WeakPolarHBondContact CB-O 3.31Å; M34-F37 HydrophobicContact CE-CE2 4.25Å; M34-F37 HydrophobicContact CG-CE2 4.07Å; M34-F37 HydrophobicContact CG-CZ 3.99Å; M34-F37 PolarHBondContact N-O 3.23Å; M34-F37 PolarHBondContact O-N 3.32Å; M34-F37 HydrophobicContact SD-CE1 4.44Å; M34-F37 HydrophobicContact SD-CE2 3.59Å; M34-F37 VanDerWaalsContact SD-CE2 3.59Å; M34-F37 HydrophobicContact SD-CZ 3.39Å; M34-F37 WeakPolarHBondContact SD-CZ 3.48Å |
| 35 | K | 82.6 | Confident | 90.8 | Very high | 114 Ų | 114 | 60 Ų | 60 | 50% | 0.496 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -32.9 | -51.9 | -170.7 | -69.5 | 178.9 | 171.8 | 179 | 0 | 116.5 | G10 D109 | G10-K35 WeakPolarHBondContact CA-O 3.38Å; G10-K35 PolarHBondContact N-O 2.84Å; K35-D109 IonicContact NZ-OD1 3.26Å; K35-D109 PolarHBondContact NZ-OD1 3.02Å; K35-D109 IonicContact NZ-OD2 3.8Å; K35-D109 PolarHBondContact NZ-OD2 3.39Å |
| 36 | Q | 83.4 | Confident | 90.8 | Very high | 77 Ų | 77 | 59.9 Ų | 59.9 | 36% | 0.36 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.4 | 12.9 | -174.2 | -66.5 | -68.6 | -82.5 | 0 | 0 | 113 | N7 V8 M34 | N7-Q36 PolarHBondContact N-O 3.09Å; N7-Q36 VanDerWaalsContact N-O 3.13Å; V8-Q36 PolarHBondContact N-O 3.33Å; V8-Q36 CarbonylContact O-C 3.45Å; V8-Q36 WeakPolarHBondContact O-CA 3.35Å; M34-Q36 VanDerWaalsContact C-N 3.29Å; M34-Q36 PolarHBondContact O-N 3.49Å |
| 37 | F | 88.4 | Confident | 90.9 | Very high | 24 Ų | 24 | 59.1 Ų | 59.1 | 11% | 0.105 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 157.4 | -177.5 | 59.4 | -97.6 | 0 | 0 | 0 | 111.1 | F4 V5 M34 F39 | F4-F37 HydrophobicContact CD2-CB 4.38Å; F4-F37 HydrophobicContact CD2-CD2 4.46Å; F4-F37 HydrophobicContact CE2-CB 3.51Å; F4-F37 HydrophobicContact CE2-CD1 4.39Å; F4-F37 AromaticContact CE2-CD2 3.88Å; F4-F37 HydrophobicContact CE2-CD2 3.88Å; F4-F37 AromaticContact CE2-CG 3.68Å; F4-F37 HydrophobicContact CE2-CG 3.68Å; F4-F37 HydrophobicContact CZ-CB 3.81Å; F4-F37 HydrophobicContact CZ-CG 4.29Å; V5-F37 CarbonylContact O-C 3.41Å; V5-F37 WeakPolarHBondContact O-CA 3.41Å; V5-F37 WeakPolarHBondContact O-CB 3.43Å; M34-F37 CarbonylContact C-O 3.56Å; M34-F37 VanDerWaalsContact CA-O 3.27Å; M34-F37 WeakPolarHBondContact CA-O 3.49Å; M34-F37 HydrophobicContact CB-CD2 3.98Å; M34-F37 HydrophobicContact CB-CE2 3.65Å; M34-F37 HydrophobicContact CB-CZ 4.01Å; M34-F37 VanDerWaalsContact CB-O 3.3Å; M34-F37 WeakPolarHBondContact CB-O 3.31Å; M34-F37 HydrophobicContact CE-CE2 4.25Å; M34-F37 HydrophobicContact CG-CE2 4.07Å; M34-F37 HydrophobicContact CG-CZ 3.99Å; M34-F37 PolarHBondContact N-O 3.23Å; M34-F37 PolarHBondContact O-N 3.32Å; M34-F37 HydrophobicContact SD-CE1 4.44Å; M34-F37 HydrophobicContact SD-CE2 3.59Å; M34-F37 VanDerWaalsContact SD-CE2 3.59Å; M34-F37 HydrophobicContact SD-CZ 3.39Å; M34-F37 WeakPolarHBondContact SD-CZ 3.48Å; F37-F39 HydrophobicContact CD2-CD2 4.46Å; F37-F39 HydrophobicContact CD2-CE2 4.04Å; F37-F39 HydrophobicContact CD2-CZ 4.42Å; F37-F39 HydrophobicContact CE2-CD2 4.36Å; F37-F39 AromaticContact CE2-CE2 3.69Å; F37-F39 HydrophobicContact CE2-CE2 3.69Å; F37-F39 HydrophobicContact CE2-CZ 4.25Å |
| 38 | A | 90.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 164.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V5 V8 L18 A32 V33 | V5-A38 HydrophobicContact CB-CB 4.28Å; V5-A38 PolarHBondContact N-O 2.93Å; V5-A38 PolarHBondContact O-N 2.78Å; V8-A38 HydrophobicContact CG2-CB 4.36Å; L18-A38 HydrophobicContact CD1-CB 3.25Å; A32-A38 CarbonylContact O-C 3.52Å; A32-A38 VanDerWaalsContact O-CA 3.25Å; A32-A38 WeakPolarHBondContact O-CA 3.24Å; V33-A38 HydrophobicContact CB-CB 4.43Å; V33-A38 HydrophobicContact CG2-CB 3.97Å |
| 39 | F | 92.4 | Very high | 90.9 | Very high | 32 Ų | 32 | 57 Ų | 57 | 14% | 0.14 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 125.1 | 169.7 | -68.8 | -69.3 | 0 | 0 | 0 | 110.3 | K2 I3 F4 C31 A32 F37 S71 | K2-F39 HydrophobicContact CD-CD1 4.41Å; K2-F39 VanDerWaalsContact CE-CG 3.45Å; I3-F39 WeakPolarHBondContact O-CA 3.27Å; F4-F39 HydrophobicContact CB-CD1 4.29Å; F4-F39 HydrophobicContact CB-CE1 4.13Å; F4-F39 HydrophobicContact CD2-CD1 4.18Å; F4-F39 AromaticContact CD2-CE1 3.61Å; F4-F39 HydrophobicContact CD2-CE1 3.61Å; F4-F39 HydrophobicContact CD2-CZ 4.04Å; F4-F39 HydrophobicContact CG-CE1 4.36Å; C31-F39 WeakPolarHBondContact CA-O 3.45Å; A32-F39 PolarHBondContact N-O 3.38Å; A32-F39 PolarHBondContact O-N 3.08Å; F37-F39 HydrophobicContact CD2-CD2 4.46Å; F37-F39 HydrophobicContact CD2-CE2 4.04Å; F37-F39 HydrophobicContact CD2-CZ 4.42Å; F37-F39 HydrophobicContact CE2-CD2 4.36Å; F37-F39 AromaticContact CE2-CE2 3.69Å; F37-F39 HydrophobicContact CE2-CE2 3.69Å; F37-F39 HydrophobicContact CE2-CZ 4.25Å; F39-S71 WeakPolarHBondContact CE1-OG 3.33Å |
| 40 | V | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.1 | 176.8 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | I3 V5 F22 V28 M42 | I3-V40 HydrophobicContact CB-CB 4.36Å; I3-V40 WeakPolarHBondContact CB-O 3.46Å; I3-V40 PolarHBondContact N-O 3.27Å; I3-V40 PolarHBondContact O-N 3.33Å; V5-V40 HydrophobicContact CG2-CG2 3.99Å; F22-V40 HydrophobicContact CB-CG1 4.09Å; F22-V40 HydrophobicContact CD1-CB 4.44Å; F22-V40 HydrophobicContact CD1-CG1 4.08Å; F22-V40 HydrophobicContact CD2-CG1 4.44Å; F22-V40 HydrophobicContact CD2-CG2 4Å; F22-V40 HydrophobicContact CE2-CG2 4.03Å; F22-V40 HydrophobicContact CG-CB 4.46Å; F22-V40 HydrophobicContact CG-CG1 3.93Å; F22-V40 HydrophobicContact CG-CG2 4.3Å; F22-V40 HydrophobicContact CZ-CG2 4.37Å; V28-V40 HydrophobicContact CG1-CG1 3.93Å; V28-V40 HydrophobicContact CG2-CG1 4.12Å; V40-M42 HydrophobicContact CG1-SD 3.92Å |
| 41 | H | 93.6 | Very high | 91 | Very high | 70 Ų | 70 | 54.6 Ų | 54.6 | 32% | 0.324 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 111.4 | 170.3 | -68.7 | 84.3 | 0 | 0 | 0 | 108.9 | M1 K2 M29 S30 | M1-H41 CarbonylContact O-C 3.57Å; M1-H41 WeakPolarHBondContact O-CA 3.27Å; K2-H41 WeakPolarHBondContact CD-NE2 3.31Å; K2-H41 WeakPolarHBondContact CG-NE2 3.29Å; M29-H41 HydrophobicContact CB-CB 4.37Å; M29-H41 PolarHBondContact N-O 3.47Å; S30-H41 PolarHBondContact N-O 2.99Å; S30-H41 PolarHBondContact O-N 2.92Å |
| 42 | M | 93.1 | Very high | 91 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 144.5 | 169.6 | -58.4 | -61.2 | -83.3 | 0 | 0 | 109.6 | M1 I3 F22 G26 V28 V40 A48 | M1-M42 PolarHBondContact N-O 3.4Å; M1-M42 PolarHBondContact O-N 3.22Å; I3-M42 HydrophobicContact CD1-CG 3.53Å; I3-M42 HydrophobicContact CG1-CG 4.3Å; F22-M42 HydrophobicContact CB-CE 4.44Å; F22-M42 HydrophobicContact CB-SD 4.05Å; F22-M42 HydrophobicContact CD1-SD 4.15Å; F22-M42 WeakPolarHBondContact O-CE 3.25Å; G26-M42 WeakPolarHBondContact O-CE 3.36Å; V28-M42 HydrophobicContact CG2-SD 3.8Å; V40-M42 HydrophobicContact CG1-SD 3.92Å; M42-A48 HydrophobicContact CB-CB 3.92Å; M42-A48 HydrophobicContact CG-CB 3.83Å |
| 43 | R | 94.1 | Very high | 91 | Very high | 162 Ų | 162 | 59.3 Ų | 59.3 | 61% | 0.611 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -60.9 | -51.5 | 168.3 | 178.6 | 177.3 | -77 | -170.8 | -3.8 | 110.3 | T27 M29 | T27-R43 PolarHBondContact O-N 2.95Å; M29-R43 HydrophobicContact CG-CB 3.95Å; M29-R43 HydrophobicContact SD-CB 4.02Å; M29-R43 HydrophobicContact SD-CG 4.46Å |
| 44 | E | 92.7 | Very high | 91 | Very high | 91 Ų | 91 | 59.8 Ų | 59.8 | 43% | 0.425 | 29% | 0.289 | S | S | . | . | trans | -90.9 | 147.8 | -173.1 | -65.5 | 173.5 | -168.8 | 0 | 0 | 112.7 | A48 | E44-A48 WeakPolarHBondContact O-CB 3.35Å; E44-A48 PolarHBondContact O-N 3.08Å | ||
| 45 | N | 92.5 | Very high | 91.2 | Very high | 98 Ų | 98 | 55.4 Ų | 55.4 | 52% | 0.524 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -80.1 | -48.6 | 172.7 | -170.3 | -43.9 | 0 | 0 | 0 | 110.9 | M1 G47 A48 L49 | M1-N45 HydrophobicContact SD-CB 4.41Å; N45-G47 VanDerWaalsContact C-N 3.33Å; N45-G47 PolarHBondContact O-N 2.97Å; N45-A48 WeakPolarHBondContact O-CA 3.45Å; N45-A48 WeakPolarHBondContact O-CB 3.24Å; N45-A48 PolarHBondContact O-N 3.39Å; N45-L49 PolarHBondContact O-N 3.35Å |
| 46 | A | 92.9 | Very high | 91.5 | Very high | 63 Ų | 63 | 54.9 Ų | 54.9 | 52% | 0.521 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.8 | -41.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | L49 R50 | A46-L49 PolarHBondContact O-N 2.78Å; A46-R50 PolarHBondContact O-N 2.99Å |
| 47 | G | 91.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y25 N45 R50 A51 | Y25-G47 WeakPolarHBondContact O-CA 3.45Å; N45-G47 VanDerWaalsContact C-N 3.33Å; N45-G47 PolarHBondContact O-N 2.97Å; G47-R50 PolarHBondContact O-N 2.98Å; G47-A51 WeakPolarHBondContact O-CB 3.32Å; G47-A51 PolarHBondContact O-N 3.02Å |
| 48 | A | 92.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.6 | -38.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | M1 I3 M42 E44 N45 A51 I52 | M1-A48 HydrophobicContact CB-CB 3.86Å; M1-A48 HydrophobicContact CE-CB 4.3Å; M1-A48 HydrophobicContact CG-CB 3.86Å; M1-A48 HydrophobicContact SD-CB 3.53Å; M1-A48 VanDerWaalsContact SD-CB 3.53Å; I3-A48 HydrophobicContact CD1-CB 3.75Å; I3-A48 HydrophobicContact CG1-CB 4.12Å; M42-A48 HydrophobicContact CB-CB 3.92Å; M42-A48 HydrophobicContact CG-CB 3.83Å; E44-A48 WeakPolarHBondContact O-CB 3.35Å; E44-A48 PolarHBondContact O-N 3.08Å; N45-A48 WeakPolarHBondContact O-CA 3.45Å; N45-A48 WeakPolarHBondContact O-CB 3.24Å; N45-A48 PolarHBondContact O-N 3.39Å; A48-A51 PolarHBondContact O-N 3.34Å; A48-I52 WeakPolarHBondContact O-CD1 3.39Å; A48-I52 VanDerWaalsContact O-CG1 3.27Å; A48-I52 WeakPolarHBondContact O-CG1 3.12Å; A48-I52 PolarHBondContact O-N 2.87Å |
| 49 | L | 92.8 | Very high | 90.9 | Very high | 62 Ų | 62 | 60.5 Ų | 60.5 | 33% | 0.325 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -49.7 | 176.1 | -72.7 | 170.1 | 0 | 0 | 0 | 111.6 | M1 N45 A46 A51 I52 E53 M70 | M1-L49 HydrophobicContact CE-CD2 4.43Å; N45-L49 PolarHBondContact O-N 3.35Å; A46-L49 PolarHBondContact O-N 2.78Å; L49-A51 VanDerWaalsContact C-N 3.28Å; L49-A51 PolarHBondContact O-N 2.73Å; L49-I52 WeakPolarHBondContact O-CB 3.44Å; L49-I52 PolarHBondContact O-N 2.78Å; L49-I52 VanDerWaalsContact O-N 3.08Å; L49-E53 PolarHBondContact O-N 3.5Å; L49-M70 HydrophobicContact CD2-CE 3.41Å; L49-M70 VanDerWaalsContact CD2-CE 3.41Å |
| 50 | R | 93.5 | Very high | 90.1 | Very high | 138 Ų | 138 | 60.7 Ų | 60.7 | 52% | 0.521 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.4 | -38.3 | 176 | -65.2 | -177.1 | -60.5 | -178.5 | 4.5 | 112.1 | Y25 A46 G47 E53 A54 | Y25-R50 HydrophobicContact CD1-CB 4.04Å; Y25-R50 PolarHBondContact O-NH2 3.25Å; A46-R50 PolarHBondContact O-N 2.99Å; G47-R50 PolarHBondContact O-N 2.98Å; R50-E53 PolarHBondContact O-N 2.82Å; R50-A54 VanDerWaalsContact O-CB 3.27Å; R50-A54 WeakPolarHBondContact O-CB 3.19Å; R50-A54 PolarHBondContact O-N 2.85Å |
| 51 | A | 92.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I3 F22 Y25 G47 A48 L49 L55 | I3-A51 HydrophobicContact CD1-CB 4.29Å; F22-A51 HydrophobicContact CD1-CB 3.63Å; F22-A51 HydrophobicContact CE1-CB 3.73Å; Y25-A51 HydrophobicContact CD2-CB 3.99Å; Y25-A51 HydrophobicContact CG-CB 3.8Å; G47-A51 WeakPolarHBondContact O-CB 3.32Å; G47-A51 PolarHBondContact O-N 3.02Å; A48-A51 PolarHBondContact O-N 3.34Å; L49-A51 VanDerWaalsContact C-N 3.28Å; L49-A51 PolarHBondContact O-N 2.73Å; A51-L55 HydrophobicContact CB-CD1 4.41Å; A51-L55 WeakPolarHBondContact O-CB 3.27Å; A51-L55 WeakPolarHBondContact O-CG 3.36Å; A51-L55 PolarHBondContact O-N 3.07Å |
| 52 | I | 92.5 | Very high | 88.2 | Confident | 23 Ų | 23 | 67.8 Ų | 67.8 | 12% | 0.118 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.1 | -50.4 | 175.5 | -70.7 | 158.3 | 0 | 0 | 0 | 110.2 | M1 I3 A48 L49 A54 H56 V68 M70 | M1-I52 HydrophobicContact CE-CD1 3.77Å; I3-I52 HydrophobicContact CD1-CG1 4.38Å; I3-I52 HydrophobicContact CG1-CD1 4.41Å; I3-I52 HydrophobicContact CG1-CG1 4.47Å; I3-I52 HydrophobicContact CG2-CG1 4.07Å; A48-I52 WeakPolarHBondContact O-CD1 3.39Å; A48-I52 VanDerWaalsContact O-CG1 3.27Å; A48-I52 WeakPolarHBondContact O-CG1 3.12Å; A48-I52 PolarHBondContact O-N 2.87Å; L49-I52 WeakPolarHBondContact O-CB 3.44Å; L49-I52 PolarHBondContact O-N 2.78Å; L49-I52 VanDerWaalsContact O-N 3.08Å; I52-A54 PolarHBondContact O-N 3.27Å; I52-H56 WeakPolarHBondContact O-CB 3.38Å; I52-H56 PolarHBondContact O-N 3.1Å; I52-H56 VanDerWaalsContact O-N 3.1Å; I52-V68 HydrophobicContact CB-CG1 4.33Å; I52-V68 HydrophobicContact CG1-CG1 3.93Å; I52-M70 HydrophobicContact CD1-CG 3.78Å |
| 53 | E | 91.4 | Very high | 87.2 | Confident | 154 Ų | 154 | 70.7 Ų | 70.7 | 72% | 0.72 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65.1 | -37.4 | -177.6 | -69.7 | 173.7 | 176.9 | 0 | 0 | 113.1 | L49 R50 | L49-E53 PolarHBondContact O-N 3.5Å; R50-E53 PolarHBondContact O-N 2.82Å |
| 54 | A | 90.3 | Very high | 86.4 | Confident | 49 Ų | 49 | 66.8 Ų | 66.8 | 41% | 0.405 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -88.6 | -27.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y25 R50 I52 | Y25-A54 HydrophobicContact CE1-CB 3.56Å; Y25-A54 VanDerWaalsContact OH-CB 3.29Å; Y25-A54 WeakPolarHBondContact OH-CB 3.3Å; R50-A54 VanDerWaalsContact O-CB 3.27Å; R50-A54 WeakPolarHBondContact O-CB 3.19Å; R50-A54 PolarHBondContact O-N 2.85Å; I52-A54 PolarHBondContact O-N 3.27Å |
| 55 | L | 89 | Confident | 86 | Confident | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -99.3 | -10.3 | -179.2 | -59.7 | 172.6 | 0 | 0 | 0 | 113.2 | L21 F22 Y25 A51 G57 H58 V68 | L21-L55 HydrophobicContact CB-CD1 4.4Å; F22-L55 HydrophobicContact CD1-CD1 3.94Å; F22-L55 HydrophobicContact CD2-CD1 3.76Å; F22-L55 HydrophobicContact CE1-CD1 3.78Å; F22-L55 HydrophobicContact CE2-CD1 3.62Å; F22-L55 HydrophobicContact CG-CD1 3.93Å; F22-L55 HydrophobicContact CZ-CD1 3.63Å; Y25-L55 HydrophobicContact CD2-CD1 4.1Å; Y25-L55 HydrophobicContact CD2-CG 4.44Å; Y25-L55 HydrophobicContact CE2-CD1 3.94Å; Y25-L55 HydrophobicContact CE2-CD2 3.99Å; Y25-L55 HydrophobicContact CE2-CG 3.85Å; A51-L55 HydrophobicContact CB-CD1 4.41Å; A51-L55 WeakPolarHBondContact O-CB 3.27Å; A51-L55 WeakPolarHBondContact O-CG 3.36Å; A51-L55 PolarHBondContact O-N 3.07Å; L55-G57 PolarHBondContact O-N 2.88Å; L55-H58 HydrophobicContact CD2-CB 4.46Å; L55-H58 VanDerWaalsContact O-CB 3.24Å; L55-H58 WeakPolarHBondContact O-CB 3.44Å; L55-H58 PolarHBondContact O-N 3.33Å; L55-H58 VanDerWaalsContact O-N 3.1Å; L55-V68 HydrophobicContact CB-CG2 3.81Å; L55-V68 WeakPolarHBondContact O-CG2 2.93Å |
| 56 | H | 89 | Confident | 85.8 | Confident | 103 Ų | 103 | 59.6 Ų | 59.6 | 48% | 0.477 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 122.4 | 171.1 | -171.1 | 102.8 | 0 | 0 | 0 | 110.2 | I52 H58 V68 | I52-H56 WeakPolarHBondContact O-CB 3.38Å; I52-H56 PolarHBondContact O-N 3.1Å; I52-H56 VanDerWaalsContact O-N 3.1Å; H56-H58 VanDerWaalsContact C-N 3.33Å; H56-V68 HydrophobicContact CB-CB 4.27Å; H56-V68 PolarHBondContact ND1-O 3.02Å |
| 57 | G | 85.2 | Confident | 85.6 | Confident | 41 Ų | 41 | 59.1 Ų | 59.1 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -6.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L55 E59 L66 | L55-G57 PolarHBondContact O-N 2.88Å; G57-E59 PolarHBondContact O-N 2.88Å; G57-L66 PolarHBondContact N-O 3.12Å |
| 58 | H | 83.4 | Confident | 85.6 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 35% | 0.352 | 32% | 0.323 | S | S | . | . | trans | -67 | 122.6 | -179.6 | -174 | -72.9 | 0 | 0 | 0 | 111.1 | L55 H56 L60 L66 | L55-H58 HydrophobicContact CD2-CB 4.46Å; L55-H58 VanDerWaalsContact O-CB 3.24Å; L55-H58 WeakPolarHBondContact O-CB 3.44Å; L55-H58 PolarHBondContact O-N 3.33Å; L55-H58 VanDerWaalsContact O-N 3.1Å; H56-H58 VanDerWaalsContact C-N 3.33Å; H58-L60 PolarHBondContact O-N 2.84Å; H58-L66 WeakPolarHBondContact O-CB 3.36Å; H58-L66 WeakPolarHBondContact O-CG 3.13Å; H58-L66 PolarHBondContact O-N 3.27Å | ||
| 59 | E | 81.6 | Confident | 85.5 | Confident | 102 Ų | 102 | 62.3 Ų | 62.3 | 48% | 0.477 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 103.3 | 176.5 | -58.5 | -144.3 | 133.4 | 0 | 0 | 110.5 | G57 R61 G63 A65 | G57-E59 PolarHBondContact O-N 2.88Å; E59-R61 VanDerWaalsContact C-N 3.27Å; E59-G63 WeakPolarHBondContact OE1-CA 3.1Å; E59-G63 PolarHBondContact OE1-N 3.45Å; E59-G63 PolarHBondContact OE2-N 2.91Å; E59-A65 HydrophobicContact CG-CB 4.17Å |
| 60 | L | 74.1 | Confident | 85.5 | Confident | 36 Ų | 36 | 64.2 Ų | 64.2 | 19% | 0.188 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | -32.6 | 169.9 | -105 | -175.2 | 0 | 0 | 0 | 112.1 | T13 E17 L18 L21 H58 L66 | T13-L60 HydrophobicContact CG2-CD1 3.68Å; E17-L60 HydrophobicContact CG-CD2 4.3Å; E17-L60 WeakPolarHBondContact OE1-CD2 3.48Å; L18-L60 HydrophobicContact CD2-CD1 3.74Å; L21-L60 HydrophobicContact CD1-CD1 3.72Å; L21-L60 HydrophobicContact CD1-CD2 3.47Å; L21-L60 VanDerWaalsContact CD1-CD2 3.47Å; L21-L60 HydrophobicContact CD1-CG 3.64Å; L21-L60 HydrophobicContact CD2-CD2 4.36Å; L21-L60 HydrophobicContact CG-CD2 4.35Å; H58-L60 PolarHBondContact O-N 2.84Å; L60-L66 HydrophobicContact CB-CD1 4.49Å; L60-L66 HydrophobicContact CB-CG 4.49Å; L60-L66 HydrophobicContact CD1-CD1 3.93Å; L60-L66 HydrophobicContact CD1-CD2 4.39Å; L60-L66 HydrophobicContact CG-CD1 3.96Å; L60-L66 HydrophobicContact CG-CG 4.48Å |
| 61 | R | 74.1 | Confident | 85.1 | Confident | 90 Ų | 90 | 58.8 Ų | 58.8 | 34% | 0.34 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 144.5 | 175.5 | -66 | -169 | 174.6 | -150.8 | 7.7 | 108.1 | D12 E59 G63 R64 | D12-R61 PolarHBondContact O-NH2 3.45Å; D12-R61 IonicContact OD1-CZ 2.89Å; D12-R61 IonicContact OD1-NH1 3.63Å; D12-R61 PolarHBondContact OD1-NH1 3.09Å; D12-R61 IonicContact OD1-NH2 2.71Å; D12-R61 PolarHBondContact OD1-NH2 3.47Å; D12-R61 IonicContact OD2-CZ 3.19Å; D12-R61 IonicContact OD2-NH1 3.53Å; D12-R61 PolarHBondContact OD2-NH1 2.75Å; D12-R61 IonicContact OD2-NH2 3.38Å; E59-R61 VanDerWaalsContact C-N 3.27Å; R61-G63 PolarHBondContact O-N 3.48Å; R61-R64 PolarHBondContact O-N 3.1Å |
| 62 | P | 73.8 | Confident | 84.7 | Confident | 129 Ų | 129 | 66.7 Ų | 66.7 | 84% | 0.838 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 124.7 | -175.2 | 20.7 | -32.8 | 0 | 0 | 0 | 111.1 | ||
| 63 | G | 71.5 | Confident | 84 | Confident | 63 Ų | 63 | 71.2 Ų | 71.2 | 65% | 0.649 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 9.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | E59 R61 | E59-G63 WeakPolarHBondContact OE1-CA 3.1Å; E59-G63 PolarHBondContact OE1-N 3.45Å; E59-G63 PolarHBondContact OE2-N 2.91Å; R61-G63 PolarHBondContact O-N 3.48Å |
| 64 | R | 77.1 | Confident | 83.1 | Confident | 81 Ų | 81 | 69.4 Ų | 69.4 | 31% | 0.306 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 78.1 | 169.4 | -76.7 | -163.5 | 177.3 | 133.9 | -23.4 | 112 | D9 R61 L66 | D9-R64 IonicContact OD2-CZ 2.62Å; D9-R64 IonicContact OD2-NH1 3.61Å; D9-R64 PolarHBondContact OD2-NH1 3.21Å; D9-R64 IonicContact OD2-NH2 2.73Å; D9-R64 PolarHBondContact OD2-NH2 3.27Å; R61-R64 PolarHBondContact O-N 3.1Å; R64-L66 PolarHBondContact O-N 3.09Å |
| 65 | A | 85.5 | Confident | 82.3 | Confident | 34 Ų | 34 | 69.8 Ų | 69.8 | 28% | 0.281 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 125.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N7 E59 | N7-A65 WeakPolarHBondContact CB-O 3.36Å; N7-A65 PolarHBondContact ND2-O 3.04Å; E59-A65 HydrophobicContact CG-CB 4.17Å |
| 66 | L | 88.2 | Confident | 81.3 | Confident | 3 Ų | 3 | 77.9 Ų | 77.9 | 2% | 0.016 | 42% | 0.418 | C | S | . | . | trans | -71.7 | 138.9 | 177.2 | -67.8 | -176.7 | 0 | 0 | 0 | 111.8 | V5 V8 L18 G57 H58 L60 R64 V68 | V5-L66 HydrophobicContact CG1-CB 4.4Å; V5-L66 HydrophobicContact CG1-CD1 4.04Å; V5-L66 HydrophobicContact CG1-CD2 4.12Å; V5-L66 HydrophobicContact CG1-CG 4.43Å; V8-L66 HydrophobicContact CG2-CD2 3.71Å; L18-L66 HydrophobicContact CD2-CD1 4.4Å; G57-L66 PolarHBondContact N-O 3.12Å; H58-L66 WeakPolarHBondContact O-CB 3.36Å; H58-L66 WeakPolarHBondContact O-CG 3.13Å; H58-L66 PolarHBondContact O-N 3.27Å; L60-L66 HydrophobicContact CB-CD1 4.49Å; L60-L66 HydrophobicContact CB-CG 4.49Å; L60-L66 HydrophobicContact CD1-CD1 3.93Å; L60-L66 HydrophobicContact CD1-CD2 4.39Å; L60-L66 HydrophobicContact CG-CD1 3.96Å; L60-L66 HydrophobicContact CG-CG 4.48Å; R64-L66 PolarHBondContact O-N 3.09Å; L66-V68 HydrophobicContact CB-CG2 4.15Å | ||
| 67 | V | 88.4 | Confident | 80.8 | Confident | 54 Ų | 54 | 79 Ų | 79 | 33% | 0.327 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 89.5 | 174.6 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | V5 G6 N7 | V5-V67 CarbonylContact C-O 3.34Å; G6-V67 PolarHBondContact N-O 2.78Å; G6-V67 PolarHBondContact O-N 3.23Å; N7-V67 HydrophobicContact CB-CG2 4.32Å |
| 68 | V | 91.8 | Very high | 80.7 | Confident | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.006 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 124.5 | -179.7 | -168.6 | 0 | 0 | 0 | 0 | 109.7 | I3 F4 V5 F22 I52 L55 H56 L66 | I3-V68 HydrophobicContact CG2-CG1 3.49Å; I3-V68 VanDerWaalsContact CG2-CG1 3.49Å; F4-V68 WeakPolarHBondContact O-CA 3.42Å; V5-V68 HydrophobicContact CG1-CG2 4.23Å; F22-V68 HydrophobicContact CE1-CG1 4.08Å; F22-V68 HydrophobicContact CZ-CG1 3.78Å; F22-V68 HydrophobicContact CZ-CG2 4.3Å; I52-V68 HydrophobicContact CB-CG1 4.33Å; I52-V68 HydrophobicContact CG1-CG1 3.93Å; L55-V68 HydrophobicContact CB-CG2 3.81Å; L55-V68 WeakPolarHBondContact O-CG2 2.93Å; H56-V68 HydrophobicContact CB-CB 4.27Å; H56-V68 PolarHBondContact ND1-O 3.02Å; L66-V68 HydrophobicContact CB-CG2 4.15Å |
| 69 | E | 91 | Very high | 80.9 | Confident | 66 Ų | 66 | 78 Ų | 78 | 31% | 0.308 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 163.1 | 179.5 | -78.5 | -163.3 | -151 | 0 | 0 | 111.5 | I3 F4 S71 R72 | I3-E69 WeakPolarHBondContact CA-O 3.35Å; I3-E69 VanDerWaalsContact CG2-O 3.31Å; I3-E69 WeakPolarHBondContact CG2-O 3.43Å; F4-E69 PolarHBondContact N-O 2.92Å; F4-E69 PolarHBondContact O-N 3.39Å; E69-S71 PolarHBondContact O-N 2.94Å; E69-R72 IonicContact OE2-CZ 2.74Å; E69-R72 IonicContact OE2-NE 2.67Å; E69-R72 PolarHBondContact OE2-NE 2.93Å; E69-R72 IonicContact OE2-NH2 2.64Å; E69-R72 PolarHBondContact OE2-NH2 3.26Å |
| 70 | M | 90.9 | Very high | 81.3 | Confident | 102 Ų | 102 | 75.5 Ų | 75.5 | 50% | 0.502 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 129.9 | 162.6 | -54.5 | -165.1 | -175.5 | 0 | 0 | 109.8 | M1 L49 I52 R72 | M1-M70 HydrophobicContact CE-CB 4.13Å; M1-M70 HydrophobicContact CE-CE 4.11Å; M1-M70 HydrophobicContact CE-CG 3.53Å; M1-M70 HydrophobicContact CE-SD 3.77Å; L49-M70 HydrophobicContact CD2-CE 3.41Å; L49-M70 VanDerWaalsContact CD2-CE 3.41Å; I52-M70 HydrophobicContact CD1-CG 3.78Å; M70-R72 PolarHBondContact O-N 3.43Å |
| 71 | S | 86.7 | Confident | 82.2 | Confident | 24 Ų | 24 | 73.8 Ų | 73.8 | 17% | 0.168 | 39% | 0.39 | C | S | . | . | trans | -68.3 | 98.7 | 179.7 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | K2 F39 E69 | K2-S71 VanDerWaalsContact CD-OG 3.31Å; K2-S71 WeakPolarHBondContact CD-OG 3.33Å; K2-S71 WeakPolarHBondContact CE-OG 3.42Å; K2-S71 VanDerWaalsContact CG-CB 3.49Å; K2-S71 VanDerWaalsContact O-CB 3.24Å; K2-S71 WeakPolarHBondContact O-CB 3.43Å; K2-S71 PolarHBondContact O-N 3.42Å; F39-S71 WeakPolarHBondContact CE1-OG 3.33Å; E69-S71 PolarHBondContact O-N 2.94Å | ||
| 72 | R | 83.8 | Confident | 83.1 | Confident | 165 Ų | 165 | 72.2 Ų | 72.2 | 62% | 0.623 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -68 | 135.4 | 170.3 | -53.6 | -176.6 | -154.8 | -161.1 | 6.7 | 109 | E69 M70 R74 | E69-R72 IonicContact OE2-CZ 2.74Å; E69-R72 IonicContact OE2-NE 2.67Å; E69-R72 PolarHBondContact OE2-NE 2.93Å; E69-R72 IonicContact OE2-NH2 2.64Å; E69-R72 PolarHBondContact OE2-NH2 3.26Å; M70-R72 PolarHBondContact O-N 3.43Å; R72-R74 PolarHBondContact O-N 3.32Å |
| 73 | P | 77 | Confident | 84 | Confident | 118 Ų | 118 | 66.1 Ų | 66.1 | 77% | 0.766 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 141.3 | 169.1 | 27 | -33.3 | 0 | 0 | 0 | 108.5 | ||
| 74 | R | 71.9 | Confident | 85 | Confident | 116 Ų | 116 | 63.4 Ų | 63.4 | 44% | 0.438 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 129.9 | 172.5 | -72.4 | 174.8 | 174.9 | -105.9 | 4.3 | 107.7 | R72 L76 E107 | R72-R74 PolarHBondContact O-N 3.32Å; R74-L76 PolarHBondContact O-N 2.79Å; R74-E107 IonicContact CZ-OE1 3.14Å; R74-E107 IonicContact CZ-OE2 3.48Å; R74-E107 VanDerWaalsContact NH1-CD 3.25Å; R74-E107 IonicContact NH1-OE1 2.77Å; R74-E107 PolarHBondContact NH1-OE1 2.75Å; R74-E107 IonicContact NH1-OE2 3.34Å; R74-E107 PolarHBondContact NH1-OE2 2.82Å; R74-E107 IonicContact NH2-OE1 2.81Å; R74-E107 PolarHBondContact NH2-OE1 3.38Å; R74-E107 IonicContact NH2-OE2 2.71Å |
| 75 | P | 74 | Confident | 85.7 | Confident | 58 Ų | 58 | 63.5 Ų | 63.5 | 38% | 0.377 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 132.4 | 176 | -24 | 33 | 0 | 0 | 0 | 109.4 | N77 T78 I106 | P75-N77 PolarHBondContact O-N 2.87Å; P75-T78 HydrophobicContact CB-CG2 3.88Å; P75-T78 HydrophobicContact CG-CG2 4.29Å; P75-T78 WeakPolarHBondContact O-CG2 3.49Å; P75-I106 HydrophobicContact CG-CD1 4.02Å |
| 76 | L | 68.7 | Low | 85.8 | Confident | 174 Ų | 174 | 61.9 Ų | 61.9 | 91% | 0.911 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -66.8 | -26.6 | -179.2 | -60.6 | 177.3 | 0 | 0 | 0 | 111.1 | R74 | R74-L76 PolarHBondContact O-N 2.79Š|
| 77 | N | 78.2 | Confident | 85.7 | Confident | 127 Ų | 127 | 62.6 Ų | 62.6 | 68% | 0.679 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -103.4 | 90 | 177.7 | -59.4 | -6.4 | 0 | 0 | 0 | 109 | P75 | P75-N77 PolarHBondContact O-N 2.87Š|
| 78 | T | 83.5 | Confident | 85.5 | Confident | 39 Ų | 39 | 64.5 Ų | 64.5 | 24% | 0.239 | 34% | 0.339 | C | S | . | . | trans | -125.8 | 148.2 | 170.1 | 57.8 | 0 | 0 | 0 | 0 | 110.6 | P75 I106 | P75-T78 HydrophobicContact CB-CG2 3.88Å; P75-T78 HydrophobicContact CG-CG2 4.29Å; P75-T78 WeakPolarHBondContact O-CG2 3.49Å; T78-I106 HydrophobicContact CG2-CD1 3.33Å | ||
| 79 | W | 87 | Confident | 85.2 | Confident | 56 Ų | 56 | 67.4 Ų | 67.4 | 21% | 0.212 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 109.8 | 178 | -69.8 | -89.5 | 0 | 0 | 0 | 110 | M119 E120 K121 E122 A125 | W79-M119 PolarHBondContact N-O 2.71Å; W79-M119 PolarHBondContact O-N 3.34Å; W79-E120 VanDerWaalsContact CZ3-O 3.32Å; W79-E120 WeakPolarHBondContact CZ3-O 3.32Å; W79-K121 VanDerWaalsContact CZ3-C 3.46Å; W79-K121 VanDerWaalsContact CZ3-CA 3.42Å; W79-E122 HydrophobicContact CD2-CB 3.86Å; W79-E122 HydrophobicContact CD2-CG 4.19Å; W79-E122 VanDerWaalsContact CE2-CB 3.43Å; W79-E122 VanDerWaalsContact CE2-OE2 3.29Å; W79-E122 HydrophobicContact CE3-CB 4.27Å; W79-E122 HydrophobicContact CG-CB 4.46Å; W79-E122 HydrophobicContact CG-CG 4.36Å; W79-E122 HydrophobicContact CH2-CB 3.87Å; W79-E122 HydrophobicContact CZ2-CB 3.45Å; W79-E122 VanDerWaalsContact CZ2-CB 3.45Å; W79-E122 HydrophobicContact CZ2-CG 3.99Å; W79-E122 VanDerWaalsContact CZ2-OE2 3.26Å; W79-E122 WeakPolarHBondContact CZ2-OE2 3.46Å; W79-E122 HydrophobicContact CZ3-CB 4.27Å; W79-E122 PolarHBondContact NE1-OE2 2.82Å; W79-A125 HydrophobicContact CB-CB 3.72Å; W79-A125 HydrophobicContact CG-CB 4.41Å |
| 80 | K | 90.6 | Very high | 84.8 | Confident | 49 Ų | 49 | 64.7 Ų | 64.7 | 21% | 0.213 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 121.4 | 175.8 | -170 | 179.8 | -175.6 | 172.9 | 0 | 109.8 | F116 V117 H118 S147 | K80-F116 HydrophobicContact CD-CD1 4.36Å; K80-F116 VanDerWaalsContact CE-CG 3.4Å; K80-F116 HydrophobicContact CG-CD1 4.42Å; K80-V117 CarbonylContact C-O 3.4Å; K80-H118 WeakPolarHBondContact CD-NE2 3.46Å; K80-H118 WeakPolarHBondContact CG-NE2 3.49Å; K80-S147 WeakPolarHBondContact O-CA 3.17Å; K80-S147 WeakPolarHBondContact O-CB 3.22Å; K80-S147 PolarHBondContact O-N 3.07Å |
| 81 | I | 93.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 139.2 | 173.7 | -57.3 | 178 | 0 | 0 | 0 | 108 | V83 F99 F116 V117 M119 A125 A128 I129 V144 E145 | I81-V83 HydrophobicContact CG2-CG2 4.3Å; I81-F99 HydrophobicContact CD1-CD1 4.16Å; I81-F99 HydrophobicContact CD1-CE1 3.9Å; I81-F99 HydrophobicContact CG2-CE1 4.14Å; I81-F99 HydrophobicContact CG2-CZ 4.4Å; I81-F116 VanDerWaalsContact O-CA 3.31Å; I81-F116 WeakPolarHBondContact O-CA 3.42Å; I81-V117 HydrophobicContact CB-CB 4.38Å; I81-V117 PolarHBondContact N-O 2.72Å; I81-V117 PolarHBondContact O-N 2.71Å; I81-M119 HydrophobicContact CD1-CG 3.55Å; I81-M119 HydrophobicContact CD1-SD 4.45Å; I81-M119 HydrophobicContact CG1-CG 4.27Å; I81-A125 HydrophobicContact CD1-CB 3.99Å; I81-A125 HydrophobicContact CG1-CB 4.27Å; I81-A128 HydrophobicContact CD1-CB 4.25Å; I81-I129 HydrophobicContact CD1-CG1 4.48Å; I81-I129 HydrophobicContact CG1-CD1 4.37Å; I81-I129 HydrophobicContact CG2-CD1 4.48Å; I81-I129 HydrophobicContact CG2-CG1 4.14Å; I81-V144 HydrophobicContact CG2-CG1 3.42Å; I81-V144 VanDerWaalsContact CG2-CG1 3.42Å; I81-E145 CarbonylContact C-O 3.6Å; I81-E145 WeakPolarHBondContact CA-O 3.46Å; I81-E145 WeakPolarHBondContact CG2-O 3.38Å |
| 82 | F | 93.2 | Very high | 84.5 | Confident | 58 Ų | 58 | 63.9 Ų | 63.9 | 25% | 0.254 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.6 | 167.4 | 172.9 | -109 | 0 | 0 | 0 | 109.4 | Y114 F116 V144 E145 | F82-Y114 HydrophobicContact CD2-CD2 4.47Å; F82-Y114 AromaticContact CE2-CD2 3.8Å; F82-Y114 HydrophobicContact CE2-CD2 3.8Å; F82-Y114 AromaticContact CE2-CG 3.82Å; F82-Y114 HydrophobicContact CE2-CG 3.82Å; F82-Y114 HydrophobicContact CZ-CG 4.43Å; F82-F116 HydrophobicContact CB-CD1 4.36Å; F82-F116 HydrophobicContact CB-CE1 4.27Å; F82-F116 HydrophobicContact CD2-CD1 4.05Å; F82-F116 AromaticContact CD2-CE1 3.55Å; F82-F116 HydrophobicContact CD2-CE1 3.55Å; F82-F116 HydrophobicContact CD2-CZ 4.16Å; F82-F116 HydrophobicContact CE2-CE1 4.4Å; F82-F116 HydrophobicContact CG-CE1 4.36Å; F82-V144 WeakPolarHBondContact O-CA 3.22Å; F82-E145 PolarHBondContact N-O 3.46Å; F82-E145 PolarHBondContact O-N 3.01Å |
| 83 | V | 92.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 101.8 | 177.6 | -172 | 0 | 0 | 0 | 0 | 107.8 | I81 V86 F99 Y114 A115 V117 I142 N143 V144 | I81-V83 HydrophobicContact CG2-CG2 4.3Å; V83-V86 HydrophobicContact CB-CG2 4.23Å; V83-V86 HydrophobicContact CG1-CG2 3.67Å; V83-V86 WeakPolarHBondContact O-CG2 3.44Å; V83-F99 HydrophobicContact CG2-CE2 3.74Å; V83-F99 HydrophobicContact CG2-CZ 3.54Å; V83-Y114 CarbonylContact O-C 3.42Å; V83-Y114 WeakPolarHBondContact O-CA 3.18Å; V83-Y114 VanDerWaalsContact O-CB 3.3Å; V83-Y114 WeakPolarHBondContact O-CB 3.47Å; V83-A115 HydrophobicContact CB-CB 4.16Å; V83-A115 PolarHBondContact N-O 2.93Å; V83-A115 PolarHBondContact O-N 2.84Å; V83-V117 HydrophobicContact CG2-CG2 4.1Å; V83-I142 HydrophobicContact CG1-CB 4.02Å; V83-I142 HydrophobicContact CG1-CD1 4.15Å; V83-I142 HydrophobicContact CG1-CG2 4.34Å; V83-N143 CarbonylContact C-O 3.6Å; V83-N143 VanDerWaalsContact CA-O 3.25Å; V83-N143 WeakPolarHBondContact CA-O 3.47Å; V83-V144 HydrophobicContact CG1-CG2 4.33Å; V83-V144 HydrophobicContact CG2-CG1 4.5Å |
| 84 | G | 92 | Very high | 85.2 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 7% | 0.072 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 164.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V86 I142 N143 | G84-V86 PolarHBondContact O-N 3.31Å; G84-I142 WeakPolarHBondContact O-CA 3.26Å; G84-N143 PolarHBondContact N-O 3.13Å; G84-N143 PolarHBondContact O-N 3.3Å |
| 85 | N | 91.2 | Very high | 86.1 | Confident | 82 Ų | 82 | 55 Ų | 55 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 56.2 | 34 | 178.7 | -163.8 | 41.4 | 0 | 0 | 0 | 114.4 | D113 R141 | N85-D113 CarbonylContact C-O 3.18Å; N85-D113 PolarHBondContact N-O 2.8Å; N85-D113 VanDerWaalsContact N-O 3.15Å; N85-R141 PolarHBondContact ND2-O 3.2Å |
| 86 | V | 88.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -62.5 | 137.6 | 170.5 | 178.4 | 0 | 0 | 0 | 0 | 108.6 | V83 G84 C90 L95 V110 D113 A115 | V83-V86 HydrophobicContact CB-CG2 4.23Å; V83-V86 HydrophobicContact CG1-CG2 3.67Å; V83-V86 WeakPolarHBondContact O-CG2 3.44Å; G84-V86 PolarHBondContact O-N 3.31Å; V86-C90 HydrophobicContact CG1-CB 3.68Å; V86-L95 HydrophobicContact CG1-CD1 3.93Å; V86-L95 HydrophobicContact CG2-CD1 4.06Å; V86-V110 HydrophobicContact CG1-CG1 4.5Å; V86-D113 PolarHBondContact N-O 2.83Å; V86-A115 HydrophobicContact CG2-CB 4.22Å | ||
| 87 | S | 86.1 | Confident | 87.9 | Confident | 18 Ų | 18 | 52.8 Ų | 52.8 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | trans | -72.3 | 139.1 | 173.4 | -164.8 | 0 | 0 | 0 | 0 | 109.4 | A89 C90 | S87-A89 PolarHBondContact O-N 3.25Å; S87-C90 VanDerWaalsContact O-CB 3.29Å; S87-C90 WeakPolarHBondContact O-CB 3.33Å; S87-C90 PolarHBondContact O-N 3.03Å | ||
| 88 | A | 84.1 | Confident | 88.5 | Confident | 95 Ų | 95 | 48 Ų | 48 | 79% | 0.785 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -15.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 89 | A | 83.5 | Confident | 88.9 | Confident | 61 Ų | 61 | 46.2 Ų | 46.2 | 50% | 0.504 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -9.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S87 K138 | S87-A89 PolarHBondContact O-N 3.25Å; A89-K138 HydrophobicContact CB-CD 3.95Å; A89-K138 WeakPolarHBondContact O-CD 3.42Å; A89-K138 PolarHBondContact O-NZ 2.89Å |
| 90 | C | 83.3 | Confident | 89 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | trans | -78.3 | 126.7 | 178 | -66.3 | 0 | 0 | 0 | 0 | 110.4 | V86 S87 E94 | V86-C90 HydrophobicContact CG1-CB 3.68Å; S87-C90 VanDerWaalsContact O-CB 3.29Å; S87-C90 WeakPolarHBondContact O-CB 3.33Å; S87-C90 PolarHBondContact O-N 3.03Å; C90-E94 WeakPolarHBondContact CA-OE2 3.32Å | ||
| 91 | T | 86.1 | Confident | 89 | Confident | 63 Ų | 63 | 53.4 Ų | 53.4 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | trans | -85 | 159 | 175.3 | 70 | 0 | 0 | 0 | 0 | 111.2 | Q93 E94 L95 | T91-Q93 PolarHBondContact O-N 2.94Å; T91-E94 PolarHBondContact N-OE2 3.31Å; T91-E94 PolarHBondContact O-N 2.83Å; T91-E94 VanDerWaalsContact OG1-CG 3.3Å; T91-E94 WeakPolarHBondContact OG1-CG 3.19Å; T91-E94 PolarHBondContact OG1-N 3.42Å; T91-E94 VanDerWaalsContact OG1-N 3.15Å; T91-L95 PolarHBondContact O-N 3.31Å | ||
| 92 | S | 86 | Confident | 88.8 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 32% | 0.322 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.2 | -35.1 | 171.7 | 51.2 | 0 | 0 | 0 | 0 | 112.2 | R96 C108 | S92-R96 WeakPolarHBondContact O-CB 3.47Å; S92-R96 PolarHBondContact O-N 2.78Å; S92-C108 PolarHBondContact O-SG 3.22Å; S92-C108 VanDerWaalsContact O-SG 3.39Å |
| 93 | Q | 86.2 | Confident | 88.5 | Confident | 143 Ų | 143 | 56.3 Ų | 56.3 | 67% | 0.668 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -66 | -44.8 | 176.7 | -171.9 | 176.1 | 1.8 | 0 | 0 | 112.1 | T91 R96 S97 | T91-Q93 PolarHBondContact O-N 2.94Å; Q93-R96 WeakPolarHBondContact O-CB 3.32Å; Q93-R96 PolarHBondContact O-N 3.38Å; Q93-S97 PolarHBondContact O-N 2.96Å; Q93-S97 PolarHBondContact O-OG 3.28Å |
| 94 | E | 89.3 | Confident | 88.3 | Confident | 69 Ų | 69 | 63.3 Ų | 63.3 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 177.7 | -73.1 | 166.3 | 163.1 | 0 | 0 | 112.3 | C90 T91 S97 L98 K138 | C90-E94 WeakPolarHBondContact CA-OE2 3.32Å; T91-E94 PolarHBondContact N-OE2 3.31Å; T91-E94 PolarHBondContact O-N 2.83Å; T91-E94 VanDerWaalsContact OG1-CG 3.3Å; T91-E94 WeakPolarHBondContact OG1-CG 3.19Å; T91-E94 PolarHBondContact OG1-N 3.42Å; T91-E94 VanDerWaalsContact OG1-N 3.15Å; E94-S97 PolarHBondContact O-N 3.15Å; E94-L98 WeakPolarHBondContact O-CG 3.41Å; E94-L98 PolarHBondContact O-N 2.92Å; E94-K138 VanDerWaalsContact OE1-CE 3.22Å; E94-K138 WeakPolarHBondContact OE1-CE 3.29Å; E94-K138 IonicContact OE1-NZ 3.64Å; E94-K138 PolarHBondContact OE1-NZ 3.15Å; E94-K138 VanDerWaalsContact OE2-CE 3.24Å; E94-K138 WeakPolarHBondContact OE2-CE 3.33Å; E94-K138 IonicContact OE2-NZ 2.73Å; E94-K138 PolarHBondContact OE2-NZ 2.86Å |
| 95 | L | 90.5 | Very high | 88.2 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 173.2 | -70 | 179.9 | 0 | 0 | 0 | 110.5 | V86 T91 S97 L98 F99 V110 A115 | V86-L95 HydrophobicContact CG1-CD1 3.93Å; V86-L95 HydrophobicContact CG2-CD1 4.06Å; T91-L95 PolarHBondContact O-N 3.31Å; L95-S97 PolarHBondContact O-N 2.77Å; L95-L98 HydrophobicContact CD2-CD1 4.46Å; L95-L98 WeakPolarHBondContact O-CB 3.45Å; L95-L98 PolarHBondContact O-N 2.81Å; L95-F99 VanDerWaalsContact O-CD2 3.29Å; L95-F99 WeakPolarHBondContact O-CD2 3.12Å; L95-F99 PolarHBondContact O-N 3.11Å; L95-V110 HydrophobicContact CD1-CG2 3.87Å; L95-A115 HydrophobicContact CD1-CB 3.59Å |
| 96 | R | 90.4 | Very high | 88 | Confident | 123 Ų | 123 | 62.4 Ų | 62.4 | 46% | 0.464 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -54 | -49.6 | 177.4 | 177.7 | 176.1 | 169.2 | -174.6 | -7.2 | 111.5 | S92 Q93 L98 F99 E100 V105 C108 | S92-R96 WeakPolarHBondContact O-CB 3.47Å; S92-R96 PolarHBondContact O-N 2.78Å; Q93-R96 WeakPolarHBondContact O-CB 3.32Å; Q93-R96 PolarHBondContact O-N 3.38Å; R96-L98 VanDerWaalsContact C-N 3.28Å; R96-L98 PolarHBondContact O-N 2.77Å; R96-F99 PolarHBondContact O-N 3.44Å; R96-F99 VanDerWaalsContact O-N 3.13Å; R96-E100 HydrophobicContact CG-CG 4.13Å; R96-E100 IonicContact CZ-OE1 2.77Å; R96-E100 VanDerWaalsContact CZ-OE1 3.26Å; R96-E100 IonicContact NE-OE1 3.38Å; R96-E100 PolarHBondContact NE-OE1 3.34Å; R96-E100 IonicContact NH2-OE1 3.47Å; R96-E100 PolarHBondContact NH2-OE1 3.12Å; R96-E100 WeakPolarHBondContact O-CB 3.16Å; R96-E100 WeakPolarHBondContact O-CG 3.34Å; R96-E100 PolarHBondContact O-N 3.4Å; R96-V105 HydrophobicContact CG-CB 4.4Å; R96-V105 HydrophobicContact CG-CG1 4.18Å; R96-C108 HydrophobicContact CB-CB 4.04Å |
| 97 | S | 90.8 | Very high | 87.8 | Confident | 62 Ų | 62 | 64.5 Ų | 64.5 | 43% | 0.434 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.7 | -25.9 | 177.8 | -59.3 | 0 | 0 | 0 | 0 | 114.1 | Q93 E94 L95 | Q93-S97 PolarHBondContact O-N 2.96Å; Q93-S97 PolarHBondContact O-OG 3.28Å; E94-S97 PolarHBondContact O-N 3.15Å; L95-S97 PolarHBondContact O-N 2.77Å |
| 98 | L | 90.2 | Very high | 87.9 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70.8 | -40.4 | 170.8 | -75.7 | 167.3 | 0 | 0 | 0 | 112.3 | E94 L95 R96 V137 | E94-L98 WeakPolarHBondContact O-CG 3.41Å; E94-L98 PolarHBondContact O-N 2.92Å; L95-L98 HydrophobicContact CD2-CD1 4.46Å; L95-L98 WeakPolarHBondContact O-CB 3.45Å; L95-L98 PolarHBondContact O-N 2.81Å; R96-L98 VanDerWaalsContact C-N 3.28Å; R96-L98 PolarHBondContact O-N 2.77Å; L98-V137 HydrophobicContact CD1-CG1 3.95Å; L98-V137 HydrophobicContact CD1-CG2 3.89Å |
| 99 | F | 90.5 | Very high | 88 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -77.9 | -34.3 | 177.8 | -79.2 | -86.9 | 0 | 0 | 0 | 112.8 | I81 V83 L95 R96 R101 R102 G103 V105 V117 M119 A128 L132 V144 | I81-F99 HydrophobicContact CD1-CD1 4.16Å; I81-F99 HydrophobicContact CD1-CE1 3.9Å; I81-F99 HydrophobicContact CG2-CE1 4.14Å; I81-F99 HydrophobicContact CG2-CZ 4.4Å; V83-F99 HydrophobicContact CG2-CE2 3.74Å; V83-F99 HydrophobicContact CG2-CZ 3.54Å; L95-F99 VanDerWaalsContact O-CD2 3.29Å; L95-F99 WeakPolarHBondContact O-CD2 3.12Å; L95-F99 PolarHBondContact O-N 3.11Å; R96-F99 PolarHBondContact O-N 3.44Å; R96-F99 VanDerWaalsContact O-N 3.13Å; F99-R101 PolarHBondContact O-N 2.74Å; F99-R101 VanDerWaalsContact O-N 3.15Å; F99-R102 PolarHBondContact O-N 2.64Å; F99-G103 PolarHBondContact O-N 2.95Å; F99-V105 HydrophobicContact CB-CG2 3.53Å; F99-V117 HydrophobicContact CB-CG1 4.03Å; F99-V117 HydrophobicContact CD1-CG1 4.16Å; F99-V117 HydrophobicContact CD2-CB 4.48Å; F99-V117 HydrophobicContact CD2-CG1 4.31Å; F99-V117 HydrophobicContact CD2-CG2 3.79Å; F99-V117 HydrophobicContact CE2-CG2 3.87Å; F99-V117 HydrophobicContact CG-CB 4.42Å; F99-V117 HydrophobicContact CG-CG1 3.91Å; F99-V117 HydrophobicContact CG-CG2 4.21Å; F99-V117 HydrophobicContact CZ-CG2 4.33Å; F99-M119 HydrophobicContact CB-SD 4.39Å; F99-M119 HydrophobicContact CD1-SD 4.46Å; F99-A128 HydrophobicContact CD1-CB 3.83Å; F99-A128 HydrophobicContact CE1-CB 3.97Å; F99-L132 HydrophobicContact CD1-CD1 3.73Å; F99-L132 HydrophobicContact CD2-CD1 4.21Å; F99-L132 HydrophobicContact CE1-CD1 3.64Å; F99-L132 HydrophobicContact CE2-CD1 4.12Å; F99-L132 HydrophobicContact CG-CD1 4Å; F99-L132 HydrophobicContact CZ-CD1 3.83Å; F99-V144 HydrophobicContact CE1-CG1 3.95Å; F99-V144 HydrophobicContact CZ-CG1 3.78Å; F99-V144 HydrophobicContact CZ-CG2 4.35Å |
| 100 | E | 90.9 | Very high | 88.3 | Confident | 77 Ų | 77 | 61.4 Ų | 61.4 | 36% | 0.36 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.2 | -27.1 | 176.1 | -80.4 | 174.8 | 157.6 | 0 | 0 | 112.9 | R96 R102 G103 V105 | R96-E100 HydrophobicContact CG-CG 4.13Å; R96-E100 IonicContact CZ-OE1 2.77Å; R96-E100 VanDerWaalsContact CZ-OE1 3.26Å; R96-E100 IonicContact NE-OE1 3.38Å; R96-E100 PolarHBondContact NE-OE1 3.34Å; R96-E100 IonicContact NH2-OE1 3.47Å; R96-E100 PolarHBondContact NH2-OE1 3.12Å; R96-E100 WeakPolarHBondContact O-CB 3.16Å; R96-E100 WeakPolarHBondContact O-CG 3.34Å; R96-E100 PolarHBondContact O-N 3.4Å; E100-R102 PolarHBondContact O-N 2.67Å; E100-G103 WeakPolarHBondContact CA-O 3.43Å; E100-V105 HydrophobicContact CG-CB 4.01Å; E100-V105 HydrophobicContact CG-CG2 3.78Å |
| 101 | R | 90.2 | Very high | 88.5 | Confident | 178 Ų | 178 | 63 Ų | 63 | 67% | 0.672 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18.4 | 172.9 | -166.1 | 177.9 | -59.7 | -165.2 | 0 | 113.8 | F99 | F99-R101 PolarHBondContact O-N 2.74Å; F99-R101 VanDerWaalsContact O-N 3.15Å |
| 102 | R | 88.2 | Confident | 88.5 | Confident | 106 Ų | 106 | 68.2 Ų | 68.2 | 40% | 0.4 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -18.1 | -176.6 | -56.9 | -53.5 | -179.3 | -168.5 | 13.9 | 113.3 | F99 E100 D124 A128 | F99-R102 PolarHBondContact O-N 2.64Å; E100-R102 PolarHBondContact O-N 2.67Å; R102-D124 WeakPolarHBondContact O-CB 3.25Å; R102-A128 HydrophobicContact CB-CB 3.91Å; R102-A128 HydrophobicContact CG-CB 4.31Å |
| 103 | G | 88 | Confident | 88.6 | Confident | 13 Ų | 13 | 70.1 Ų | 70.1 | 13% | 0.134 | 33% | 0.326 | C | S | . | . | S | Bend | trans | 169.7 | 178.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F99 E100 V105 D124 | F99-G103 PolarHBondContact O-N 2.95Å; E100-G103 WeakPolarHBondContact CA-O 3.43Å; G103-V105 PolarHBondContact O-N 3.03Å; G103-D124 WeakPolarHBondContact CA-OD2 3.48Å |
| 104 | R | 88.4 | Confident | 88.9 | Confident | 148 Ų | 148 | 66.8 Ų | 66.8 | 56% | 0.558 | 31% | 0.308 | S | S | * | . | trans | -73.9 | 111.9 | -174.1 | -170.4 | 150.4 | 174.7 | -101.4 | 3.6 | 111.4 | E120 | R104-E120 HydrophobicContact CB-CB 4.25Å; R104-E120 WeakPolarHBondContact CB-OE2 3.3Å; R104-E120 WeakPolarHBondContact CD-OE2 3.11Å; R104-E120 WeakPolarHBondContact CG-OE2 3.38Å; R104-E120 IonicContact CZ-OE2 2.7Å; R104-E120 IonicContact NE-OE2 3.96Å; R104-E120 IonicContact NH1-OE1 2.95Å; R104-E120 PolarHBondContact NH1-OE1 2.84Å; R104-E120 IonicContact NH1-OE2 2.61Å; R104-E120 PolarHBondContact NH1-OE2 2.8Å; R104-E120 PolarHBondContact O-N 2.79Å; R104-E120 VanDerWaalsContact O-N 3.09Å | ||
| 105 | V | 89.5 | Confident | 89 | Confident | 13 Ų | 13 | 63.5 Ų | 63.5 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 123.5 | 174.2 | 179.2 | 0 | 0 | 0 | 0 | 109.3 | R96 F99 E100 G103 C108 V117 M119 | R96-V105 HydrophobicContact CG-CB 4.4Å; R96-V105 HydrophobicContact CG-CG1 4.18Å; F99-V105 HydrophobicContact CB-CG2 3.53Å; E100-V105 HydrophobicContact CG-CB 4.01Å; E100-V105 HydrophobicContact CG-CG2 3.78Å; G103-V105 PolarHBondContact O-N 3.03Å; V105-C108 HydrophobicContact CG1-CB 4.43Å; V105-V117 HydrophobicContact CG1-CG1 3.78Å; V105-V117 HydrophobicContact CG2-CG1 4.06Å; V105-M119 HydrophobicContact CG2-SD 3.75Å |
| 106 | I | 86.4 | Confident | 89 | Confident | 56 Ų | 56 | 65.4 Ų | 65.4 | 29% | 0.287 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -38.2 | 176.1 | -66.3 | 169.4 | 0 | 0 | 0 | 110.6 | P75 T78 H118 E120 | P75-I106 HydrophobicContact CG-CD1 4.02Å; T78-I106 HydrophobicContact CG2-CD1 3.33Å; I106-H118 HydrophobicContact CB-CB 4.34Å; I106-H118 PolarHBondContact N-O 3.03Å; I106-E120 HydrophobicContact CD1-CB 3.82Å; I106-E120 HydrophobicContact CD1-CG 4.31Å; I106-E120 HydrophobicContact CG1-CB 4.21Å |
| 107 | E | 84.6 | Confident | 89.1 | Confident | 44 Ų | 44 | 59.5 Ų | 59.5 | 21% | 0.206 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 143.7 | -179.1 | -176.8 | 172.4 | -122.5 | 0 | 0 | 110.7 | R74 V117 H118 | R74-E107 IonicContact CZ-OE1 3.14Å; R74-E107 IonicContact CZ-OE2 3.48Å; R74-E107 VanDerWaalsContact NH1-CD 3.25Å; R74-E107 IonicContact NH1-OE1 2.77Å; R74-E107 PolarHBondContact NH1-OE1 2.75Å; R74-E107 IonicContact NH1-OE2 3.34Å; R74-E107 PolarHBondContact NH1-OE2 2.82Å; R74-E107 IonicContact NH2-OE1 2.81Å; R74-E107 PolarHBondContact NH2-OE1 3.38Å; R74-E107 IonicContact NH2-OE2 2.71Å; E107-V117 CarbonylContact O-C 3.4Å; E107-V117 WeakPolarHBondContact O-CA 3.15Å; E107-H118 HydrophobicContact CB-CB 4.31Å; E107-H118 PolarHBondContact O-N 2.95Å; E107-H118 IonicContact OE2-CE1 3.61Å; E107-H118 IonicContact OE2-ND1 2.72Å; E107-H118 PolarHBondContact OE2-ND1 3.15Å |
| 108 | C | 88.3 | Confident | 89.1 | Confident | 23 Ų | 23 | 58 Ų | 58 | 16% | 0.155 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 114.9 | 172.4 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | S92 R96 V105 F116 | S92-C108 PolarHBondContact O-SG 3.22Å; S92-C108 VanDerWaalsContact O-SG 3.39Å; R96-C108 HydrophobicContact CB-CB 4.04Å; V105-C108 HydrophobicContact CG1-CB 4.43Å; C108-F116 WeakPolarHBondContact CA-O 3.48Å |
| 109 | D | 87.7 | Confident | 89.1 | Confident | 48 Ų | 48 | 56.7 Ų | 56.7 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127.6 | 176.4 | -170.1 | 14.2 | 0 | 0 | 0 | 110.2 | K35 A115 F116 | K35-D109 IonicContact NZ-OD1 3.26Å; K35-D109 PolarHBondContact NZ-OD1 3.02Å; K35-D109 IonicContact NZ-OD2 3.8Å; K35-D109 PolarHBondContact NZ-OD2 3.39Å; D109-A115 CarbonylContact O-C 3.6Å; D109-A115 WeakPolarHBondContact O-CA 3.44Å; D109-A115 WeakPolarHBondContact O-CB 3.42Å; D109-F116 PolarHBondContact N-O 2.89Å; D109-F116 PolarHBondContact O-N 3.09Å |
| 110 | V | 88.3 | Confident | 89 | Confident | 39 Ų | 39 | 59.9 Ų | 59.9 | 24% | 0.236 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 128.7 | -180 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | V86 L95 A115 | V86-V110 HydrophobicContact CG1-CG1 4.5Å; L95-V110 HydrophobicContact CD1-CG2 3.87Å; V110-A115 HydrophobicContact CB-CB 4.37Å; V110-A115 HydrophobicContact CG2-CB 3.9Å |
| 111 | V | 87.4 | Confident | 88.8 | Confident | 41 Ų | 41 | 62 Ų | 62 | 25% | 0.248 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 98.1 | -176.9 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | D113 Y114 | V111-D113 PolarHBondContact O-N 2.9Å; V111-Y114 CarbonylContact C-O 3.58Å; V111-Y114 HydrophobicContact CB-CD2 4.19Å; V111-Y114 HydrophobicContact CB-CE1 4.48Å; V111-Y114 HydrophobicContact CB-CE2 3.64Å; V111-Y114 HydrophobicContact CG1-CE1 4.31Å; V111-Y114 HydrophobicContact CG1-CE2 4.01Å; V111-Y114 WeakPolarHBondContact CG1-OH 3.41Å; V111-Y114 HydrophobicContact CG2-CE2 4.33Å; V111-Y114 PolarHBondContact N-O 2.91Å; V111-Y114 WeakPolarHBondContact O-CD1 3.31Å; V111-Y114 WeakPolarHBondContact O-CE1 3.2Å; V111-Y114 PolarHBondContact O-N 3.01Å; V111-Y114 VanDerWaalsContact O-N 3.15Å; V111-Y114 VanDerWaalsContact O-O 3.08Å |
| 112 | K | 86 | Confident | 88.8 | Confident | 173 Ų | 173 | 57.4 Ų | 57.4 | 75% | 0.752 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | -100.4 | 179.5 | -55.7 | 174.5 | 178.7 | -179.7 | 0 | 112.9 | ||
| 113 | D | 89.2 | Confident | 88.9 | Confident | 87 Ų | 87 | 55.7 Ų | 55.7 | 47% | 0.465 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 4.3 | -173.9 | 55.7 | -75.4 | 0 | 0 | 0 | 113.1 | N85 V86 V111 | N85-D113 CarbonylContact C-O 3.18Å; N85-D113 PolarHBondContact N-O 2.8Å; N85-D113 VanDerWaalsContact N-O 3.15Å; V86-D113 PolarHBondContact N-O 2.83Å; V111-D113 PolarHBondContact O-N 2.9Å |
| 114 | Y | 91.7 | Very high | 89 | Confident | 72 Ų | 72 | 56.5 Ų | 56.5 | 28% | 0.282 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 167.2 | 175.2 | 61.7 | -90.7 | 0 | 0 | 0 | 112.3 | F82 V83 V111 F116 | F82-Y114 HydrophobicContact CD2-CD2 4.47Å; F82-Y114 AromaticContact CE2-CD2 3.8Å; F82-Y114 HydrophobicContact CE2-CD2 3.8Å; F82-Y114 AromaticContact CE2-CG 3.82Å; F82-Y114 HydrophobicContact CE2-CG 3.82Å; F82-Y114 HydrophobicContact CZ-CG 4.43Å; V83-Y114 CarbonylContact O-C 3.42Å; V83-Y114 WeakPolarHBondContact O-CA 3.18Å; V83-Y114 VanDerWaalsContact O-CB 3.3Å; V83-Y114 WeakPolarHBondContact O-CB 3.47Å; V111-Y114 CarbonylContact C-O 3.58Å; V111-Y114 HydrophobicContact CB-CD2 4.19Å; V111-Y114 HydrophobicContact CB-CE1 4.48Å; V111-Y114 HydrophobicContact CB-CE2 3.64Å; V111-Y114 HydrophobicContact CG1-CE1 4.31Å; V111-Y114 HydrophobicContact CG1-CE2 4.01Å; V111-Y114 WeakPolarHBondContact CG1-OH 3.41Å; V111-Y114 HydrophobicContact CG2-CE2 4.33Å; V111-Y114 PolarHBondContact N-O 2.91Å; V111-Y114 WeakPolarHBondContact O-CD1 3.31Å; V111-Y114 WeakPolarHBondContact O-CE1 3.2Å; V111-Y114 PolarHBondContact O-N 3.01Å; V111-Y114 VanDerWaalsContact O-N 3.15Å; V111-Y114 VanDerWaalsContact O-O 3.08Å; Y114-F116 HydrophobicContact CD2-CE2 4.11Å; Y114-F116 HydrophobicContact CD2-CZ 4.32Å; Y114-F116 HydrophobicContact CE2-CD2 4.48Å; Y114-F116 AromaticContact CE2-CE2 3.72Å; Y114-F116 HydrophobicContact CE2-CE2 3.72Å; Y114-F116 HydrophobicContact CE2-CZ 4.11Å |
| 115 | A | 91.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 162.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | V83 V86 L95 D109 V110 | V83-A115 HydrophobicContact CB-CB 4.16Å; V83-A115 PolarHBondContact N-O 2.93Å; V83-A115 PolarHBondContact O-N 2.84Å; V86-A115 HydrophobicContact CG2-CB 4.22Å; L95-A115 HydrophobicContact CD1-CB 3.59Å; D109-A115 CarbonylContact O-C 3.6Å; D109-A115 WeakPolarHBondContact O-CA 3.44Å; D109-A115 WeakPolarHBondContact O-CB 3.42Å; V110-A115 HydrophobicContact CB-CB 4.37Å; V110-A115 HydrophobicContact CG2-CB 3.9Å |
| 116 | F | 91.8 | Very high | 89.2 | Confident | 41 Ų | 41 | 54 Ų | 54 | 18% | 0.18 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 128.1 | 171.8 | -65.5 | -66.5 | 0 | 0 | 0 | 110 | K80 I81 F82 C108 D109 Y114 | K80-F116 HydrophobicContact CD-CD1 4.36Å; K80-F116 VanDerWaalsContact CE-CG 3.4Å; K80-F116 HydrophobicContact CG-CD1 4.42Å; I81-F116 VanDerWaalsContact O-CA 3.31Å; I81-F116 WeakPolarHBondContact O-CA 3.42Å; F82-F116 HydrophobicContact CB-CD1 4.36Å; F82-F116 HydrophobicContact CB-CE1 4.27Å; F82-F116 HydrophobicContact CD2-CD1 4.05Å; F82-F116 AromaticContact CD2-CE1 3.55Å; F82-F116 HydrophobicContact CD2-CE1 3.55Å; F82-F116 HydrophobicContact CD2-CZ 4.16Å; F82-F116 HydrophobicContact CE2-CE1 4.4Å; F82-F116 HydrophobicContact CG-CE1 4.36Å; C108-F116 WeakPolarHBondContact CA-O 3.48Å; D109-F116 PolarHBondContact N-O 2.89Å; D109-F116 PolarHBondContact O-N 3.09Å; Y114-F116 HydrophobicContact CD2-CE2 4.11Å; Y114-F116 HydrophobicContact CD2-CZ 4.32Å; Y114-F116 HydrophobicContact CE2-CD2 4.48Å; Y114-F116 AromaticContact CE2-CE2 3.72Å; Y114-F116 HydrophobicContact CE2-CE2 3.72Å; Y114-F116 HydrophobicContact CE2-CZ 4.11Å |
| 117 | V | 91.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 126.7 | 179.1 | -175 | 0 | 0 | 0 | 0 | 108.8 | K80 I81 V83 F99 V105 E107 M119 | K80-V117 CarbonylContact C-O 3.4Å; I81-V117 HydrophobicContact CB-CB 4.38Å; I81-V117 PolarHBondContact N-O 2.72Å; I81-V117 PolarHBondContact O-N 2.71Å; V83-V117 HydrophobicContact CG2-CG2 4.1Å; F99-V117 HydrophobicContact CB-CG1 4.03Å; F99-V117 HydrophobicContact CD1-CG1 4.16Å; F99-V117 HydrophobicContact CD2-CB 4.48Å; F99-V117 HydrophobicContact CD2-CG1 4.31Å; F99-V117 HydrophobicContact CD2-CG2 3.79Å; F99-V117 HydrophobicContact CE2-CG2 3.87Å; F99-V117 HydrophobicContact CG-CB 4.42Å; F99-V117 HydrophobicContact CG-CG1 3.91Å; F99-V117 HydrophobicContact CG-CG2 4.21Å; F99-V117 HydrophobicContact CZ-CG2 4.33Å; V105-V117 HydrophobicContact CG1-CG1 3.78Å; V105-V117 HydrophobicContact CG2-CG1 4.06Å; E107-V117 CarbonylContact O-C 3.4Å; E107-V117 WeakPolarHBondContact O-CA 3.15Å; V117-M119 HydrophobicContact CG1-SD 3.98Å |
| 118 | H | 90.1 | Very high | 89.9 | Confident | 30 Ų | 30 | 51 Ų | 51 | 14% | 0.139 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 120.8 | 175.4 | -62.3 | 90.1 | 0 | 0 | 0 | 109.4 | K80 I106 E107 | K80-H118 WeakPolarHBondContact CD-NE2 3.46Å; K80-H118 WeakPolarHBondContact CG-NE2 3.49Å; I106-H118 HydrophobicContact CB-CB 4.34Å; I106-H118 PolarHBondContact N-O 3.03Å; E107-H118 HydrophobicContact CB-CB 4.31Å; E107-H118 PolarHBondContact O-N 2.95Å; E107-H118 IonicContact OE2-CE1 3.61Å; E107-H118 IonicContact OE2-ND1 2.72Å; E107-H118 PolarHBondContact OE2-ND1 3.15Å |
| 119 | M | 90.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 148.9 | 178 | -58.4 | -63.8 | -79.4 | 0 | 0 | 111.1 | W79 I81 F99 V105 V117 D124 A125 | W79-M119 PolarHBondContact N-O 2.71Å; W79-M119 PolarHBondContact O-N 3.34Å; I81-M119 HydrophobicContact CD1-CG 3.55Å; I81-M119 HydrophobicContact CD1-SD 4.45Å; I81-M119 HydrophobicContact CG1-CG 4.27Å; F99-M119 HydrophobicContact CB-SD 4.39Å; F99-M119 HydrophobicContact CD1-SD 4.46Å; V105-M119 HydrophobicContact CG2-SD 3.75Å; V117-M119 HydrophobicContact CG1-SD 3.98Å; M119-D124 HydrophobicContact CE-CB 3.98Å; M119-A125 HydrophobicContact CB-CB 4.02Å; M119-A125 HydrophobicContact CG-CB 4.02Å |
| 120 | E | 88.2 | Confident | 90.2 | Very high | 69 Ų | 69 | 52.9 Ų | 52.9 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -75.5 | -22.5 | 176.3 | -170.8 | 171.2 | -174.8 | 0 | 0 | 114.2 | W79 R104 I106 | W79-E120 VanDerWaalsContact CZ3-O 3.32Å; W79-E120 WeakPolarHBondContact CZ3-O 3.32Å; R104-E120 HydrophobicContact CB-CB 4.25Å; R104-E120 WeakPolarHBondContact CB-OE2 3.3Å; R104-E120 WeakPolarHBondContact CD-OE2 3.11Å; R104-E120 WeakPolarHBondContact CG-OE2 3.38Å; R104-E120 IonicContact CZ-OE2 2.7Å; R104-E120 IonicContact NE-OE2 3.96Å; R104-E120 IonicContact NH1-OE1 2.95Å; R104-E120 PolarHBondContact NH1-OE1 2.84Å; R104-E120 IonicContact NH1-OE2 2.61Å; R104-E120 PolarHBondContact NH1-OE2 2.8Å; R104-E120 PolarHBondContact O-N 2.79Å; R104-E120 VanDerWaalsContact O-N 3.09Å; I106-E120 HydrophobicContact CD1-CB 3.82Å; I106-E120 HydrophobicContact CD1-CG 4.31Å; I106-E120 HydrophobicContact CG1-CB 4.21Å |
| 121 | K | 88.2 | Confident | 90.3 | Very high | 120 Ų | 120 | 55.9 Ų | 55.9 | 52% | 0.522 | 29% | 0.291 | S | S | . | . | trans | -132.7 | 145.5 | -174.2 | -67.3 | -178.2 | -178.6 | 176.7 | 0 | 113.2 | W79 D124 A125 | W79-K121 VanDerWaalsContact CZ3-C 3.46Å; W79-K121 VanDerWaalsContact CZ3-CA 3.42Å; K121-D124 HydrophobicContact CB-CB 4Å; K121-A125 WeakPolarHBondContact O-CB 3.46Å; K121-A125 PolarHBondContact O-N 3.45Å | ||
| 122 | E | 88.7 | Confident | 90.5 | Very high | 82 Ų | 82 | 54.1 Ų | 54.1 | 38% | 0.383 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.8 | -42.6 | 179.8 | -159.5 | 168.8 | 123.8 | 0 | 0 | 112.2 | W79 A125 K126 | W79-E122 HydrophobicContact CD2-CB 3.86Å; W79-E122 HydrophobicContact CD2-CG 4.19Å; W79-E122 VanDerWaalsContact CE2-CB 3.43Å; W79-E122 VanDerWaalsContact CE2-OE2 3.29Å; W79-E122 HydrophobicContact CE3-CB 4.27Å; W79-E122 HydrophobicContact CG-CB 4.46Å; W79-E122 HydrophobicContact CG-CG 4.36Å; W79-E122 HydrophobicContact CH2-CB 3.87Å; W79-E122 HydrophobicContact CZ2-CB 3.45Å; W79-E122 VanDerWaalsContact CZ2-CB 3.45Å; W79-E122 HydrophobicContact CZ2-CG 3.99Å; W79-E122 VanDerWaalsContact CZ2-OE2 3.26Å; W79-E122 WeakPolarHBondContact CZ2-OE2 3.46Å; W79-E122 HydrophobicContact CZ3-CB 4.27Å; W79-E122 PolarHBondContact NE1-OE2 2.82Å; E122-A125 PolarHBondContact O-N 2.8Å; E122-K126 HydrophobicContact CG-CD 4.08Å; E122-K126 HydrophobicContact CG-CG 4.44Å; E122-K126 WeakPolarHBondContact O-CB 3.5Å; E122-K126 WeakPolarHBondContact O-CG 3.4Å; E122-K126 PolarHBondContact O-N 3.02Å; E122-K126 WeakPolarHBondContact OE1-CE 3.29Å; E122-K126 IonicContact OE1-NZ 3.4Å; E122-K126 PolarHBondContact OE1-NZ 3.39Å |
| 123 | A | 90.2 | Very high | 90.8 | Very high | 70 Ų | 70 | 49.4 Ų | 49.4 | 58% | 0.579 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.3 | -51.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110 | A125 K126 A127 | A123-A125 VanDerWaalsContact C-N 3.32Å; A123-A125 PolarHBondContact O-N 2.76Å; A123-K126 PolarHBondContact O-N 2.89Å; A123-A127 VanDerWaalsContact O-CB 3.23Å; A123-A127 WeakPolarHBondContact O-CB 3.42Å; A123-A127 PolarHBondContact O-N 2.89Å |
| 124 | D | 91.3 | Very high | 90.7 | Very high | 31 Ų | 31 | 47.2 Ų | 47.2 | 17% | 0.166 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.4 | -42.9 | 175.3 | -57.6 | 19.8 | 0 | 0 | 0 | 111.8 | R102 G103 M119 K121 A128 | R102-D124 WeakPolarHBondContact O-CB 3.25Å; G103-D124 WeakPolarHBondContact CA-OD2 3.48Å; M119-D124 HydrophobicContact CE-CB 3.98Å; K121-D124 HydrophobicContact CB-CB 4Å; D124-A128 WeakPolarHBondContact O-CB 3.3Å; D124-A128 PolarHBondContact O-N 2.73Å |
| 125 | A | 90.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.5 | -45 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | W79 I81 M119 K121 E122 A123 A128 I129 | W79-A125 HydrophobicContact CB-CB 3.72Å; W79-A125 HydrophobicContact CG-CB 4.41Å; I81-A125 HydrophobicContact CD1-CB 3.99Å; I81-A125 HydrophobicContact CG1-CB 4.27Å; M119-A125 HydrophobicContact CB-CB 4.02Å; M119-A125 HydrophobicContact CG-CB 4.02Å; K121-A125 WeakPolarHBondContact O-CB 3.46Å; K121-A125 PolarHBondContact O-N 3.45Å; E122-A125 PolarHBondContact O-N 2.8Å; A123-A125 VanDerWaalsContact C-N 3.32Å; A123-A125 PolarHBondContact O-N 2.76Å; A125-A128 PolarHBondContact O-N 3Å; A125-I129 WeakPolarHBondContact O-CD1 3.23Å; A125-I129 WeakPolarHBondContact O-CG1 3.35Å; A125-I129 PolarHBondContact O-N 3.04Å |
| 126 | K | 91.2 | Very high | 90.5 | Very high | 109 Ų | 109 | 53.2 Ų | 53.2 | 47% | 0.474 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 176 | -75.8 | 175 | 168 | 171.8 | 0 | 111.7 | E122 A123 I129 A130 | E122-K126 HydrophobicContact CG-CD 4.08Å; E122-K126 HydrophobicContact CG-CG 4.44Å; E122-K126 WeakPolarHBondContact O-CB 3.5Å; E122-K126 WeakPolarHBondContact O-CG 3.4Å; E122-K126 PolarHBondContact O-N 3.02Å; E122-K126 WeakPolarHBondContact OE1-CE 3.29Å; E122-K126 IonicContact OE1-NZ 3.4Å; E122-K126 PolarHBondContact OE1-NZ 3.39Å; A123-K126 PolarHBondContact O-N 2.89Å; K126-I129 PolarHBondContact O-N 3.39Å; K126-A130 WeakPolarHBondContact O-CB 3.35Å; K126-A130 PolarHBondContact O-N 3.18Å |
| 127 | A | 92.3 | Very high | 90.2 | Very high | 37 Ų | 37 | 52 Ų | 52 | 31% | 0.306 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A123 A130 Q131 | A123-A127 VanDerWaalsContact O-CB 3.23Å; A123-A127 WeakPolarHBondContact O-CB 3.42Å; A123-A127 PolarHBondContact O-N 2.89Å; A127-A130 PolarHBondContact O-N 3.32Å; A127-Q131 WeakPolarHBondContact O-CB 3.47Å; A127-Q131 WeakPolarHBondContact O-CG 3.19Å; A127-Q131 PolarHBondContact O-N 2.95Å; A127-Q131 VanDerWaalsContact O-N 3.11Å |
| 128 | A | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | I81 F99 R102 D124 A125 Q131 L132 | I81-A128 HydrophobicContact CD1-CB 4.25Å; F99-A128 HydrophobicContact CD1-CB 3.83Å; F99-A128 HydrophobicContact CE1-CB 3.97Å; R102-A128 HydrophobicContact CB-CB 3.91Å; R102-A128 HydrophobicContact CG-CB 4.31Å; D124-A128 WeakPolarHBondContact O-CB 3.3Å; D124-A128 PolarHBondContact O-N 2.73Å; A125-A128 PolarHBondContact O-N 3Å; A128-Q131 PolarHBondContact O-N 2.62Å; A128-L132 HydrophobicContact CB-CD1 4.3Å; A128-L132 WeakPolarHBondContact O-CB 3.34Å; A128-L132 WeakPolarHBondContact O-CG 3.38Å; A128-L132 PolarHBondContact O-N 3.22Å |
| 129 | I | 92.6 | Very high | 89.7 | Confident | 29 Ų | 29 | 58.2 Ų | 58.2 | 15% | 0.149 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.4 | -53.9 | 173.8 | -75.6 | 161.2 | 0 | 0 | 0 | 111 | I81 A125 K126 Q131 N133 V144 L146 | I81-I129 HydrophobicContact CD1-CG1 4.48Å; I81-I129 HydrophobicContact CG1-CD1 4.37Å; I81-I129 HydrophobicContact CG2-CD1 4.48Å; I81-I129 HydrophobicContact CG2-CG1 4.14Å; A125-I129 WeakPolarHBondContact O-CD1 3.23Å; A125-I129 WeakPolarHBondContact O-CG1 3.35Å; A125-I129 PolarHBondContact O-N 3.04Å; K126-I129 PolarHBondContact O-N 3.39Å; I129-Q131 PolarHBondContact O-N 2.85Å; I129-Q131 VanDerWaalsContact O-N 3.14Å; I129-N133 WeakPolarHBondContact O-CB 3.44Å; I129-N133 PolarHBondContact O-N 3.44Å; I129-V144 HydrophobicContact CB-CG1 4.49Å; I129-V144 HydrophobicContact CG1-CG1 3.84Å; I129-V144 WeakPolarHBondContact CG2-O 3.11Å; I129-L146 HydrophobicContact CD1-CB 4.31Å; I129-L146 HydrophobicContact CD1-CD2 3.5Å; I129-L146 VanDerWaalsContact CD1-CD2 3.5Å; I129-L146 HydrophobicContact CD1-CG 3.53Å |
| 130 | A | 91.5 | Very high | 89.5 | Confident | 81 Ų | 81 | 61.6 Ų | 61.6 | 67% | 0.669 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.1 | -26.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | K126 A127 | K126-A130 WeakPolarHBondContact O-CB 3.35Å; K126-A130 PolarHBondContact O-N 3.18Å; A127-A130 PolarHBondContact O-N 3.32Å |
| 131 | Q | 89.8 | Confident | 89.7 | Confident | 101 Ų | 101 | 66.4 Ų | 66.4 | 47% | 0.472 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -109.5 | -17.6 | -173.7 | -63.5 | 178.8 | -1.4 | 0 | 0 | 114.9 | A127 A128 I129 | A127-Q131 WeakPolarHBondContact O-CB 3.47Å; A127-Q131 WeakPolarHBondContact O-CG 3.19Å; A127-Q131 PolarHBondContact O-N 2.95Å; A127-Q131 VanDerWaalsContact O-N 3.11Å; A128-Q131 PolarHBondContact O-N 2.62Å; I129-Q131 PolarHBondContact O-N 2.85Å; I129-Q131 VanDerWaalsContact O-N 3.14Å |
| 132 | L | 90.9 | Very high | 89.9 | Confident | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -105.6 | -18.4 | 177.2 | -59.4 | 175.2 | 0 | 0 | 0 | 112.4 | F99 A128 G134 K135 I142 V144 | F99-L132 HydrophobicContact CD1-CD1 3.73Å; F99-L132 HydrophobicContact CD2-CD1 4.21Å; F99-L132 HydrophobicContact CE1-CD1 3.64Å; F99-L132 HydrophobicContact CE2-CD1 4.12Å; F99-L132 HydrophobicContact CG-CD1 4Å; F99-L132 HydrophobicContact CZ-CD1 3.83Å; A128-L132 HydrophobicContact CB-CD1 4.3Å; A128-L132 WeakPolarHBondContact O-CB 3.34Å; A128-L132 WeakPolarHBondContact O-CG 3.38Å; A128-L132 PolarHBondContact O-N 3.22Å; L132-G134 PolarHBondContact O-N 3.46Å; L132-K135 HydrophobicContact CD2-CD 3.82Å; L132-K135 WeakPolarHBondContact O-CB 3.38Å; L132-K135 PolarHBondContact O-N 3.22Å; L132-K135 VanDerWaalsContact O-N 3.12Å; L132-I142 HydrophobicContact CB-CD1 4.4Å; L132-I142 WeakPolarHBondContact O-CG1 3.41Å; L132-V144 HydrophobicContact CB-CG2 4.01Å |
| 133 | N | 91.9 | Very high | 90.1 | Very high | 75 Ų | 75 | 59.5 Ų | 59.5 | 40% | 0.401 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 130.2 | 173.6 | -164.9 | 4.7 | 0 | 0 | 0 | 110.9 | I129 K135 N143 V144 | I129-N133 WeakPolarHBondContact O-CB 3.44Å; I129-N133 PolarHBondContact O-N 3.44Å; N133-K135 PolarHBondContact O-N 2.84Å; N133-N143 PolarHBondContact ND2-OD1 2.98Å; N133-N143 WeakPolarHBondContact OD1-CA 3.24Å; N133-N143 PolarHBondContact OD1-OD1 3.38Å; N133-V144 HydrophobicContact CB-CB 3.99Å; N133-V144 PolarHBondContact ND2-O 3.13Å; N133-V144 PolarHBondContact OD1-N 3.45Å; N133-V144 VanDerWaalsContact OD1-N 3.08Å |
| 134 | G | 88.1 | Confident | 90.2 | Very high | 40 Ų | 40 | 56.2 Ų | 56.2 | 41% | 0.412 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | -4.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | L132 I142 | L132-G134 PolarHBondContact O-N 3.46Å; G134-I142 WeakPolarHBondContact CA-O 3.45Å; G134-I142 PolarHBondContact N-O 3.34Å |
| 135 | K | 89.5 | Confident | 90.3 | Very high | 81 Ų | 81 | 59.1 Ų | 59.1 | 35% | 0.352 | 32% | 0.317 | S | S | . | . | trans | -67.6 | 139 | -179.7 | -174.8 | 176.9 | 178 | -177.1 | 0 | 111.1 | L132 N133 R141 I142 | L132-K135 HydrophobicContact CD2-CD 3.82Å; L132-K135 WeakPolarHBondContact O-CB 3.38Å; L132-K135 PolarHBondContact O-N 3.22Å; L132-K135 VanDerWaalsContact O-N 3.12Å; N133-K135 PolarHBondContact O-N 2.84Å; K135-R141 CarbonylContact O-C 3.58Å; K135-R141 WeakPolarHBondContact O-CA 3.36Å; K135-I142 HydrophobicContact CB-CG1 4.48Å; K135-I142 WeakPolarHBondContact O-CG1 3.44Å; K135-I142 PolarHBondContact O-N 3.29Å | ||
| 136 | E | 89.9 | Confident | 90.3 | Very high | 117 Ų | 117 | 63.1 Ų | 63.1 | 55% | 0.547 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 127.3 | 174.7 | -157.7 | 166.6 | 120.5 | 0 | 0 | 112.1 | K140 R141 | E136-K140 CarbonylContact C-O 3.59Å; E136-K140 WeakPolarHBondContact CA-O 3.48Å; E136-R141 HydrophobicContact CB-CG 4.39Å; E136-R141 HydrophobicContact CG-CG 4.46Å; E136-R141 IonicContact OE2-NE 2.92Å |
| 137 | V | 85.7 | Confident | 89.9 | Confident | 17 Ų | 17 | 58.5 Ų | 58.5 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 119.1 | 176.6 | -170.3 | 0 | 0 | 0 | 0 | 107.8 | L98 G139 K140 I142 | L98-V137 HydrophobicContact CD1-CG1 3.95Å; L98-V137 HydrophobicContact CD1-CG2 3.89Å; V137-G139 VanDerWaalsContact C-N 3.32Å; V137-G139 PolarHBondContact O-N 2.78Å; V137-K140 PolarHBondContact N-O 2.92Å; V137-K140 PolarHBondContact O-N 2.76Å; V137-K140 VanDerWaalsContact O-N 3.15Å; V137-I142 HydrophobicContact CB-CG2 4.27Å; V137-I142 HydrophobicContact CG2-CD1 4.07Å; V137-I142 HydrophobicContact CG2-CG1 4.32Å; V137-I142 HydrophobicContact CG2-CG2 4.15Å |
| 138 | K | 85 | Confident | 88.9 | Confident | 99 Ų | 99 | 62.9 Ų | 62.9 | 43% | 0.43 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 49.9 | -175.8 | -64.8 | -171.8 | 170 | 172.3 | 0 | 113.6 | A89 E94 K140 | A89-K138 HydrophobicContact CB-CD 3.95Å; A89-K138 WeakPolarHBondContact O-CD 3.42Å; A89-K138 PolarHBondContact O-NZ 2.89Å; E94-K138 VanDerWaalsContact OE1-CE 3.22Å; E94-K138 WeakPolarHBondContact OE1-CE 3.29Å; E94-K138 IonicContact OE1-NZ 3.64Å; E94-K138 PolarHBondContact OE1-NZ 3.15Å; E94-K138 VanDerWaalsContact OE2-CE 3.24Å; E94-K138 WeakPolarHBondContact OE2-CE 3.33Å; E94-K138 IonicContact OE2-NZ 2.73Å; E94-K138 PolarHBondContact OE2-NZ 2.86Å; K138-K140 VanDerWaalsContact C-N 3.27Å; K138-K140 PolarHBondContact O-N 2.9Å |
| 139 | G | 84.6 | Confident | 87.4 | Confident | 61 Ų | 61 | 72 Ų | 72 | 63% | 0.629 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 11.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | V137 | V137-G139 VanDerWaalsContact C-N 3.32Å; V137-G139 PolarHBondContact O-N 2.78Å |
| 140 | K | 88 | Confident | 85.6 | Confident | 71 Ų | 71 | 72.4 Ų | 72.4 | 31% | 0.309 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 140.3 | 171.5 | -64.7 | -161.6 | -170.4 | -179.3 | 0 | 111.2 | E136 V137 K138 I142 | E136-K140 CarbonylContact C-O 3.59Å; E136-K140 WeakPolarHBondContact CA-O 3.48Å; V137-K140 PolarHBondContact N-O 2.92Å; V137-K140 PolarHBondContact O-N 2.76Å; V137-K140 VanDerWaalsContact O-N 3.15Å; K138-K140 VanDerWaalsContact C-N 3.27Å; K138-K140 PolarHBondContact O-N 2.9Å; K140-I142 PolarHBondContact O-N 3.15Å |
| 141 | R | 91.4 | Very high | 83.5 | Confident | 170 Ų | 170 | 75.5 Ų | 75.5 | 64% | 0.642 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 116.3 | 171.4 | -63.6 | -174 | -176.1 | -171.6 | 0.1 | 110.1 | N85 K135 E136 | N85-R141 PolarHBondContact ND2-O 3.2Å; K135-R141 CarbonylContact O-C 3.58Å; K135-R141 WeakPolarHBondContact O-CA 3.36Å; E136-R141 HydrophobicContact CB-CG 4.39Å; E136-R141 HydrophobicContact CG-CG 4.46Å; E136-R141 IonicContact OE2-NE 2.92Å |
| 142 | I | 93.1 | Very high | 81.2 | Confident | 2 Ų | 2 | 80.5 Ų | 80.5 | 1% | 0.01 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 139.1 | 176.9 | 61.7 | 172.1 | 0 | 0 | 0 | 110.1 | V83 G84 L132 G134 K135 V137 K140 V144 | V83-I142 HydrophobicContact CG1-CB 4.02Å; V83-I142 HydrophobicContact CG1-CD1 4.15Å; V83-I142 HydrophobicContact CG1-CG2 4.34Å; G84-I142 WeakPolarHBondContact O-CA 3.26Å; L132-I142 HydrophobicContact CB-CD1 4.4Å; L132-I142 WeakPolarHBondContact O-CG1 3.41Å; G134-I142 WeakPolarHBondContact CA-O 3.45Å; G134-I142 PolarHBondContact N-O 3.34Å; K135-I142 HydrophobicContact CB-CG1 4.48Å; K135-I142 WeakPolarHBondContact O-CG1 3.44Å; K135-I142 PolarHBondContact O-N 3.29Å; V137-I142 HydrophobicContact CB-CG2 4.27Å; V137-I142 HydrophobicContact CG2-CD1 4.07Å; V137-I142 HydrophobicContact CG2-CG1 4.32Å; V137-I142 HydrophobicContact CG2-CG2 4.15Å; K140-I142 PolarHBondContact O-N 3.15Å; I142-V144 HydrophobicContact CB-CG2 4.48Å; I142-V144 HydrophobicContact CD1-CG2 3.71Å; I142-V144 HydrophobicContact CG1-CG2 3.88Å |
| 143 | N | 91.8 | Very high | 78.6 | Confident | 55 Ų | 55 | 86.7 Ų | 86.7 | 29% | 0.294 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 127.1 | 168.5 | -177.3 | 21.2 | 0 | 0 | 0 | 108.3 | V83 G84 N133 E145 | V83-N143 CarbonylContact C-O 3.6Å; V83-N143 VanDerWaalsContact CA-O 3.25Å; V83-N143 WeakPolarHBondContact CA-O 3.47Å; G84-N143 PolarHBondContact N-O 3.13Å; G84-N143 PolarHBondContact O-N 3.3Å; N133-N143 PolarHBondContact ND2-OD1 2.98Å; N133-N143 WeakPolarHBondContact OD1-CA 3.24Å; N133-N143 PolarHBondContact OD1-OD1 3.38Å; N143-E145 PolarHBondContact ND2-OE1 3.32Å; N143-E145 PolarHBondContact OD1-OE1 3.04Å |
| 144 | V | 93.8 | Very high | 76.1 | Confident | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 118.6 | -175.1 | -169 | 0 | 0 | 0 | 0 | 109.7 | I81 F82 V83 F99 I129 L132 N133 I142 | I81-V144 HydrophobicContact CG2-CG1 3.42Å; I81-V144 VanDerWaalsContact CG2-CG1 3.42Å; F82-V144 WeakPolarHBondContact O-CA 3.22Å; V83-V144 HydrophobicContact CG1-CG2 4.33Å; V83-V144 HydrophobicContact CG2-CG1 4.5Å; F99-V144 HydrophobicContact CE1-CG1 3.95Å; F99-V144 HydrophobicContact CZ-CG1 3.78Å; F99-V144 HydrophobicContact CZ-CG2 4.35Å; I129-V144 HydrophobicContact CB-CG1 4.49Å; I129-V144 HydrophobicContact CG1-CG1 3.84Å; I129-V144 WeakPolarHBondContact CG2-O 3.11Å; L132-V144 HydrophobicContact CB-CG2 4.01Å; N133-V144 HydrophobicContact CB-CB 3.99Å; N133-V144 PolarHBondContact ND2-O 3.13Å; N133-V144 PolarHBondContact OD1-N 3.45Å; N133-V144 VanDerWaalsContact OD1-N 3.08Å; I142-V144 HydrophobicContact CB-CG2 4.48Å; I142-V144 HydrophobicContact CD1-CG2 3.71Å; I142-V144 HydrophobicContact CG1-CG2 3.88Å |
| 145 | E | 92.2 | Very high | 73.7 | Confident | 93 Ų | 93 | 90.7 Ų | 90.7 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 159.1 | -171.8 | -66.6 | 179.1 | -172.6 | 0 | 0 | 112 | I81 F82 N143 S147 | I81-E145 CarbonylContact C-O 3.6Å; I81-E145 WeakPolarHBondContact CA-O 3.46Å; I81-E145 WeakPolarHBondContact CG2-O 3.38Å; F82-E145 PolarHBondContact N-O 3.46Å; F82-E145 PolarHBondContact O-N 3.01Å; N143-E145 PolarHBondContact ND2-OE1 3.32Å; N143-E145 PolarHBondContact OD1-OE1 3.04Å; E145-S147 PolarHBondContact O-N 2.8Å |
| 146 | L | 89.9 | Confident | 71.2 | Confident | 83 Ų | 83 | 89.1 Ų | 89.1 | 44% | 0.435 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 129.4 | 169 | -74.3 | 174.5 | 0 | 0 | 0 | 110 | I129 T148 | I129-L146 HydrophobicContact CD1-CB 4.31Å; I129-L146 HydrophobicContact CD1-CD2 3.5Å; I129-L146 VanDerWaalsContact CD1-CD2 3.5Å; I129-L146 HydrophobicContact CD1-CG 3.53Å; L146-T148 PolarHBondContact O-N 3.24Å |
| 147 | S | 84 | Confident | 69 | Low | 12 Ų | 12 | 90.2 Ų | 90.2 | 8% | 0.084 | 49% | 0.487 | C | S | . | . | trans | -77.4 | 96.6 | -177.3 | -164 | 0 | 0 | 0 | 0 | 111.7 | K80 E145 K149 G150 | K80-S147 WeakPolarHBondContact O-CA 3.17Å; K80-S147 WeakPolarHBondContact O-CB 3.22Å; K80-S147 PolarHBondContact O-N 3.07Å; E145-S147 PolarHBondContact O-N 2.8Å; S147-K149 PolarHBondContact O-N 3.36Å; S147-K149 VanDerWaalsContact O-N 3.11Å; S147-G150 PolarHBondContact O-N 3.18Å | ||
| 148 | T | 71.2 | Confident | 66.7 | Low | 130 Ų | 130 | 93.5 Ų | 93.5 | 80% | 0.798 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -16.4 | 175.6 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | L146 | L146-T148 PolarHBondContact O-N 3.24Š|
| 149 | K | 60.5 | Low | 65 | Low | 192 Ų | 192 | 94.1 Ų | 94.1 | 84% | 0.835 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 15.8 | -174.3 | -62.3 | -175.2 | 178.8 | 178.6 | 0 | 114.5 | S147 | S147-K149 PolarHBondContact O-N 3.36Å; S147-K149 VanDerWaalsContact O-N 3.11Å |
| 150 | G | 54.3 | Low | 63 | Low | 36 Ų | 36 | 100 Ų | 100 | 37% | 0.371 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | -28 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | S147 K152 | S147-G150 PolarHBondContact O-N 3.18Å; G150-K152 VanDerWaalsContact C-N 3.31Å; G150-K152 PolarHBondContact O-N 3.48Å |
| 151 | Q | 48 | Very low | 60.8 | Low | 146 Ų | 146 | 102.7 Ų | 102.7 | 68% | 0.682 | 57% | 0.566 | S | S | * | * | trans | -75.4 | 85.1 | 178.3 | -70.1 | -169.1 | -17 | 0 | 0 | 110.4 | K153 | Q151-K153 PolarHBondContact O-N 2.86Š| ||
| 152 | K | 40.8 | Very low | 58.3 | Low | 206 Ų | 206 | 98 Ų | 98 | 90% | 0.896 | 57% | 0.572 | S | S | * | * | trans | -61 | 84.4 | 143 | -83.1 | -169.7 | 174.7 | -175.2 | 0 | 106.7 | G150 G154 | G150-K152 VanDerWaalsContact C-N 3.31Å; G150-K152 PolarHBondContact O-N 3.48Å; K152-G154 PolarHBondContact O-N 2.84Å | ||
| 153 | K | 37.8 | Very low | 55.9 | Low | 135 Ų | 135 | 104.5 Ų | 104.5 | 59% | 0.587 | 61% | 0.606 | S | S | * | * | trans | -47.7 | 116.7 | 159.8 | -176.5 | 168.9 | -176.6 | 168.1 | 0 | 105.6 | Q151 L157 | Q151-K153 PolarHBondContact O-N 2.86Å; K153-L157 WeakPolarHBondContact CE-O 3.37Å; K153-L157 PolarHBondContact NZ-O 3.32Å | ||
| 154 | G | 39.2 | Very low | 53.8 | Low | 46 Ų | 46 | 111.2 Ų | 111.2 | 47% | 0.474 | 63% | 0.633 | S | S | . | * | trans | -53.9 | 151.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | K152 G156 | K152-G154 PolarHBondContact O-N 2.84Å; G154-G156 PolarHBondContact O-N 2.82Å | ||
| 155 | P | 37.7 | Very low | 51.3 | Low | 152 Ų | 152 | 117.7 Ų | 117.7 | 99% | 0.987 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -67.9 | 83.2 | 175.3 | 29.1 | -33.6 | 0 | 0 | 0 | 109.3 | ||
| 156 | G | 35.6 | Very low | 49 | Very low | 48 Ų | 48 | 122.3 Ų | 122.3 | 50% | 0.495 | 69% | 0.691 | S | S | . | * | S | Bend | trans | 172.7 | 132.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | G154 | G154-G156 PolarHBondContact O-N 2.82Š|
| 157 | L | 44.6 | Very low | 46.8 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 74% | 0.738 | 71% | 0.711 | S | S | * | * | trans | 59.5 | 71 | 177.8 | -67.4 | 97.6 | 0 | 0 | 0 | 115.7 | K153 V159 | K153-L157 WeakPolarHBondContact CE-O 3.37Å; K153-L157 PolarHBondContact NZ-O 3.32Å; L157-V159 HydrophobicContact CB-CG2 4.26Å; L157-V159 HydrophobicContact CD2-CG2 4.15Å; L157-V159 PolarHBondContact O-N 3.22Å | ||
| 158 | A | 36.9 | Very low | 44.8 | Very low | 85 Ų | 85 | 133 Ų | 133 | 70% | 0.702 | 75% | 0.745 | S | S | * | * | trans | -64.7 | 71.9 | 143.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q160 | A158-Q160 PolarHBondContact O-N 3.25Š| ||
| 159 | V | 48.8 | Very low | 43.1 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | trans | -62.7 | 122.4 | 163.7 | 174.6 | 0 | 0 | 0 | 0 | 107.5 | L157 | L157-V159 HydrophobicContact CB-CG2 4.26Å; L157-V159 HydrophobicContact CD2-CG2 4.15Å; L157-V159 PolarHBondContact O-N 3.22Å | ||
| 160 | Q | 43.7 | Very low | 42.2 | Very low | 185 Ų | 185 | 126.1 Ų | 126.1 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | trans | -77.4 | 121 | -178.2 | -59.9 | 171.2 | 18.4 | 0 | 0 | 108.5 | A158 | A158-Q160 PolarHBondContact O-N 3.25Š| ||
| 161 | S | 42.2 | Very low | 41.5 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | trans | -139 | 115.8 | 154.8 | -175.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 162 | G | 38.7 | Very low | 41.5 | Very low | 73 Ų | 73 | 127.7 Ų | 127.7 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | cis | 153.8 | 13.6 | 5.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 163 | D | 41.7 | Very low | 41.8 | Very low | 137 Ų | 137 | 124 Ų | 124 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | -143.2 | 81.4 | 176.4 | -165.4 | 3.4 | 0 | 0 | 0 | 111.6 | ||||
| 164 | K | 47.6 | Very low | 42 | Very low | 197 Ų | 197 | 121.6 Ų | 121.6 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | -146.3 | 85.3 | 155.4 | -71.7 | -165.5 | 179 | 173.7 | 0 | 107.8 | K166 | K164-K166 PolarHBondContact O-N 2.88Š| ||
| 165 | T | 42.4 | Very low | 42.1 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | trans | -62.7 | 75 | 162.8 | 26.5 | 0 | 0 | 0 | 0 | 109.7 | K167 | T165-K167 PolarHBondContact O-N 3.15Š| ||
| 166 | K | 43.5 | Very low | 42.4 | Very low | 191 Ų | 191 | 127.1 Ų | 127.1 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | -72.1 | 98 | 173.8 | -165.1 | -174.5 | -173.9 | -168.5 | 0 | 107.3 | K164 P168 | K164-K166 PolarHBondContact O-N 2.88Å; K166-P168 WeakPolarHBondContact O-CD 3.39Å | ||
| 167 | K | 43.4 | Very low | 42.6 | Very low | 196 Ų | 196 | 128.5 Ų | 128.5 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | -46.5 | 124.6 | 166.3 | -83.1 | -172.3 | 170.5 | -172.6 | 0 | 108.9 | T165 | T165-K167 PolarHBondContact O-N 3.15Š| ||
| 168 | P | 42.9 | Very low | 42.3 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | -77.5 | 152.9 | 168.7 | 33 | -33 | 0 | 0 | 0 | 110 | K166 | K166-P168 WeakPolarHBondContact O-CD 3.39Š| ||
| 169 | G | 34.1 | Very low | 42.3 | Very low | 82 Ų | 82 | 128.3 Ų | 128.3 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | 62.5 | 93.7 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 170 | A | 42.1 | Very low | 41.8 | Very low | 97 Ų | 97 | 125.9 Ų | 125.9 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -161.3 | 86.2 | 147.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 171 | G | 39.6 | Very low | 41.5 | Very low | 80 Ų | 80 | 127.4 Ų | 127.4 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -133.5 | 45.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 172 | D | 48.8 | Very low | 41.3 | Very low | 134 Ų | 134 | 126.8 Ų | 126.8 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | trans | -83.1 | 137.1 | -168.8 | -60.4 | -70.9 | 0 | 0 | 0 | 112.5 | ||||
| 173 | T | 47.4 | Very low | 41.4 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | 55.1 | 100.4 | 155.9 | 55.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 174 | A | 41.1 | Very low | 41.4 | Very low | 85 Ų | 85 | 126.3 Ų | 126.3 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | -173.4 | 106.9 | 109.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 175 | F | 42 | Very low | 41 | Very low | 195 Ų | 195 | 127 Ų | 127 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | 41 | 156 | 138.2 | -58.1 | -82 | 0 | 0 | 0 | 122.7 | ||||
| 176 | P | 43.8 | Very low | 40.6 | Very low | 119 Ų | 119 | 126 Ų | 126 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | cis | -132.1 | 157.2 | -46 | 35.2 | -19.8 | 0 | 0 | 0 | 112.6 | ||||
| 177 | G | 39.1 | Very low | 40.5 | Very low | 76 Ų | 76 | 127.9 Ų | 127.9 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | -148.2 | 66.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 178 | T | 39.2 | Very low | 40.5 | Very low | 149 Ų | 149 | 124.8 Ų | 124.8 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | trans | 23.1 | 109 | 153.1 | -41.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 179 | G | 36.2 | Very low | 40.4 | Very low | 73 Ų | 73 | 127.2 Ų | 127.2 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | 123.3 | 108.3 | 140.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 180 | G | 38.6 | Very low | 40.6 | Very low | 61 Ų | 61 | 127 Ų | 127 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | trans | 60.3 | 142.5 | 150.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 181 | F | 38.1 | Very low | 40.6 | Very low | 218 Ų | 218 | 132.2 Ų | 132.2 | 96% | 0.956 | 78% | 0.777 | S | S | * | * | cis | -151.2 | 173.9 | 9.5 | -65.6 | -86.9 | 0 | 0 | 0 | 110.4 | ||||
| 182 | S | 37.8 | Very low | 40.5 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -95 | 149.4 | -161.3 | -172.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 183 | A | 40.4 | Very low | 39.9 | Very low | 90 Ų | 90 | 132.1 Ų | 132.1 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | 153.4 | 93.1 | 148 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 184 | T | 41.3 | Very low | 39.6 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | 52.4 | 107.9 | 79.1 | -51.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 185 | F | 39.4 | Very low | 39.5 | Very low | 212 Ų | 212 | 133 Ų | 133 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | -167.5 | 134.7 | 121.7 | -89.8 | -61.7 | 0 | 0 | 0 | 110.2 | |||||
| 186 | D | 35 | Very low | 39.4 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 60% | 0.604 | 78% | 0.777 | S | S | * | * | trans | -101.8 | 147.6 | 178.4 | 178.5 | -95.8 | 0 | 0 | 0 | 109.4 | ||||
| 187 | Y | 39.8 | Very low | 39 | Very low | 231 Ų | 231 | 125.8 Ų | 125.8 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | trans | -149.2 | 111.3 | 159.5 | -122.6 | -81.6 | 0 | 0 | 0 | 111.1 | ||||
| 188 | Q | 44.7 | Very low | 39.1 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 62% | 0.617 | 78% | 0.781 | S | S | * | * | trans | -80.5 | 173.5 | 174.4 | -63.5 | 172.2 | 17.8 | 0 | 0 | 112.9 | ||||
| 189 | Q | 39.1 | Very low | 39.2 | Very low | 172 Ų | 172 | 131 Ų | 131 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 96.5 | 142.5 | 140.5 | -90.7 | 171.7 | 45.1 | 0 | 0 | 121.6 | ||||
| 190 | A | 39.6 | Very low | 39.5 | Very low | 79 Ų | 79 | 130.8 Ų | 130.8 | 65% | 0.653 | 77% | 0.771 | S | S | * | * | trans | 67 | 134.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 191 | F | 41.1 | Very low | 39.7 | Very low | 205 Ų | 205 | 137.4 Ų | 137.4 | 90% | 0.899 | 79% | 0.785 | S | S | * | * | cis | -135.2 | 147.6 | 14.3 | -70.5 | -101.3 | 0 | 0 | 0 | 109.4 | ||||
| 192 | G | 38.8 | Very low | 39.8 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | 88.2 | 78.7 | 71.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 193 | N | 35.9 | Very low | 40.1 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | 66.5 | 110.3 | 85.6 | -170.2 | 59.7 | 0 | 0 | 0 | 116.5 | |||||
| 194 | S | 40.1 | Very low | 40.4 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | 179.7 | 95.3 | 152.1 | -77 | 0 | 0 | 0 | 0 | 109 | ||||
| 195 | T | 40.4 | Very low | 40.6 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | 72.5 | 122.2 | 86.3 | 56.8 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 196 | G | 38.5 | Very low | 41.4 | Very low | 86 Ų | 86 | 138.7 Ų | 138.7 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | 109.2 | 116.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 197 | G | 36.5 | Very low | 42.2 | Very low | 76 Ų | 76 | 138.8 Ų | 138.8 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | cis | 116.8 | 81 | 0.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 198 | F | 40.9 | Very low | 42.3 | Very low | 195 Ų | 195 | 133.5 Ų | 133.5 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -154 | 136 | 159.4 | -151.7 | -101.4 | 0 | 0 | 0 | 112.3 | ||||
| 199 | D | 42 | Very low | 42.1 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | -54 | 160.7 | 172 | -60.9 | -101.8 | 0 | 0 | 0 | 112.9 | ||||
| 200 | G | 42.5 | Very low | 42.3 | Very low | 68 Ų | 68 | 136.6 Ų | 136.6 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | cis | 131.6 | 87.5 | 13.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 201 | Q | 42.3 | Very low | 42.2 | Very low | 200 Ų | 200 | 136.4 Ų | 136.4 | 94% | 0.935 | 80% | 0.803 | S | S | * | * | trans | -144 | 134 | 163.3 | -84.7 | -145.8 | -27.4 | 0 | 0 | 111.9 | ||||
| 202 | A | 40 | Very low | 42.4 | Very low | 98 Ų | 98 | 138 Ų | 138 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -84.3 | 149.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 203 | R | 43.3 | Very low | 42.7 | Very low | 249 Ų | 249 | 140.8 Ų | 140.8 | 94% | 0.94 | 80% | 0.802 | S | S | * | * | trans | -130.7 | 99.5 | 161.2 | -75 | -165 | 175 | -158.9 | -0.4 | 111.9 | ||||
| 204 | Q | 46.7 | Very low | 43.2 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | 31.2 | 116.9 | 145.5 | -55.5 | -59.4 | -20.3 | 0 | 0 | 119.4 | ||||
| 205 | P | 46.7 | Very low | 42.9 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 134.8 | 163.5 | 33.5 | -30.8 | 0 | 0 | 0 | 111.3 | ||
| 206 | T | 56.4 | Low | 43 | Very low | 134 Ų | 134 | 144.8 Ų | 144.8 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 143.4 | 171.9 | 43.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 207 | P | 50 | Low | 43.4 | Very low | 116 Ų | 116 | 148.9 Ų | 148.9 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 147 | -170.9 | 32.6 | -35.9 | 0 | 0 | 0 | 113.3 | ||
| 208 | P | 42 | Very low | 43.7 | Very low | 119 Ų | 119 | 157 Ų | 157 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 121.6 | 172.8 | 33.9 | -29.4 | 0 | 0 | 0 | 111.2 | ||
| 209 | F | 41.5 | Very low | 44.1 | Very low | 180 Ų | 180 | 159.5 Ų | 159.5 | 79% | 0.789 | 82% | 0.821 | S | S | * | * | trans | -140.8 | 113 | 171.2 | -123.7 | -101.6 | 0 | 0 | 0 | 113.6 | ||||
| 210 | F | 42.4 | Very low | 44.1 | Very low | 189 Ų | 189 | 158 Ų | 158 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | trans | 49.6 | 126 | 147.6 | -74.4 | -109.9 | 0 | 0 | 0 | 121.2 | ||||
| 211 | G | 39.1 | Very low | 44.9 | Very low | 75 Ų | 75 | 160.6 Ų | 160.6 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | trans | 167.3 | 66.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 212 | R | 44.1 | Very low | 45.4 | Very low | 238 Ų | 238 | 157.1 Ų | 157.1 | 90% | 0.898 | 82% | 0.821 | S | S | * | * | trans | 48.7 | 101.3 | 154.9 | -69.7 | -179.5 | 173.7 | 176.5 | -1.1 | 118.2 | ||||
| 213 | D | 45.2 | Very low | 45.3 | Very low | 129 Ų | 129 | 164.3 Ų | 164.3 | 69% | 0.69 | 83% | 0.827 | S | S | * | * | 94.8 | 101.2 | 79.6 | -84.7 | -56.5 | 0 | 0 | 0 | 115.2 | |||||
| 214 | R | 45.7 | Very low | 45.3 | Very low | 222 Ų | 222 | 156.4 Ų | 156.4 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | 51.8 | 101.8 | 137.9 | -60.6 | 179.6 | 179.6 | -173.4 | -0.4 | 119 | P216 | R214-P216 WeakPolarHBondContact O-CD 3.47Š| ||
| 215 | S | 35.3 | Very low | 45 | Very low | 124 Ų | 124 | 153.3 Ų | 153.3 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -77.8 | 135.5 | 146.8 | -42.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 216 | P | 42.8 | Very low | 44.7 | Very low | 113 Ų | 113 | 158.3 Ų | 158.3 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | trans | -144.5 | 71.2 | 160.2 | 37.9 | -18.8 | 0 | 0 | 0 | 113.6 | R214 | R214-P216 WeakPolarHBondContact O-CD 3.47Š| ||
| 217 | L | 46.5 | Very low | 44.1 | Very low | 173 Ų | 173 | 158.5 Ų | 158.5 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | trans | -135.7 | 37.6 | 175.3 | -85.7 | 178.5 | 0 | 0 | 0 | 115.1 | ||||
| 218 | R | 43.4 | Very low | 43.8 | Very low | 246 Ų | 246 | 157 Ų | 157 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | -151.1 | 80.3 | 156.3 | -80.6 | -152.8 | 177.4 | -116.1 | -3.2 | 112.9 | ||||
| 219 | R | 47.4 | Very low | 44.2 | Very low | 248 Ų | 248 | 157.2 Ų | 157.2 | 94% | 0.936 | 82% | 0.816 | S | S | * | * | trans | -138.6 | 121.5 | 149.9 | -93.4 | -171.3 | 173.3 | -164.1 | -2.6 | 109 | ||||
| 220 | S | 43 | Very low | 44.4 | Very low | 109 Ų | 109 | 156.1 Ų | 156.1 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -68 | 136.5 | 171 | 41.6 | 0 | 0 | 0 | 0 | 110.2 | ||
| 221 | P | 59.5 | Low | 44.7 | Very low | 122 Ų | 122 | 153.7 Ų | 153.7 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 132.8 | 177 | 29.3 | -33.1 | 0 | 0 | 0 | 110.6 | ||
| 222 | P | 51.6 | Low | 45 | Very low | 128 Ų | 128 | 154.2 Ų | 154.2 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 147.7 | 168.5 | 32 | -32.8 | 0 | 0 | 0 | 110.9 | ||
| 223 | R | 38.8 | Very low | 45 | Very low | 248 Ų | 248 | 151.7 Ų | 151.7 | 94% | 0.936 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 128 | 177.2 | 154 | -170.9 | 168.2 | 148.6 | -2.7 | 110.2 | ||
| 224 | A | 42.9 | Very low | 45.1 | Very low | 84 Ų | 84 | 150.7 Ų | 150.7 | 69% | 0.694 | 82% | 0.815 | S | S | * | * | trans | 179.1 | 138.9 | 137.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 225 | S | 40.3 | Very low | 45 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | 56.7 | 120.1 | 148.8 | 43.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 226 | Y | 41.9 | Very low | 45.5 | Very low | 224 Ų | 224 | 145 Ų | 145 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | 24.6 | 139 | 129.9 | -68.7 | -92.5 | 0 | 0 | 0 | 119.1 | |||||
| 227 | V | 43.8 | Very low | 45.2 | Very low | 138 Ų | 138 | 149.8 Ų | 149.8 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | cis | -152.4 | 156.8 | 50 | 175 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 228 | A | 42.6 | Very low | 44.7 | Very low | 86 Ų | 86 | 152.6 Ų | 152.6 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | -107.8 | 157 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 229 | P | 51.3 | Low | 44.6 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | -137.8 | 154.1 | 109.6 | 35.7 | -22.9 | 0 | 0 | 0 | 112.4 | |||||
| 230 | L | 45 | Very low | 44.4 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | cis | 92.7 | 78.8 | 30.4 | -148.1 | 172.4 | 0 | 0 | 0 | 114.7 | ||||
| 231 | T | 49.2 | Very low | 44.6 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -160.1 | 112.9 | 148.1 | 44 | 0 | 0 | 0 | 0 | 107 | ||||
| 232 | A | 45 | Very low | 43.4 | Very low | 86 Ų | 86 | 140.1 Ų | 140.1 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | 84.1 | 104.3 | 59.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 233 | Q | 43.4 | Very low | 43.3 | Very low | 186 Ų | 186 | 140.5 Ų | 140.5 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | 175.9 | 150.6 | 121.2 | -86.4 | -66.1 | -32.3 | 0 | 0 | 110.9 | |||||
| 234 | P | 48.5 | Very low | 43.3 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -132.6 | -167.2 | -158.2 | 45.1 | -29.1 | 0 | 0 | 0 | 117 | ||||
| 235 | A | 43.6 | Very low | 43.4 | Very low | 91 Ų | 91 | 139 Ų | 139 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | 75.1 | 139 | 165.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 236 | T | 44.3 | Very low | 43.3 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | -154.6 | 153.7 | 60 | -64.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 237 | Y | 36.9 | Very low | 43.4 | Very low | 212 Ų | 212 | 130.4 Ų | 130.4 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | -58.1 | 151.7 | -179.6 | -87.9 | -123.7 | 0 | 0 | 0 | 116.8 | ||||
| 238 | R | 36.5 | Very low | 43.3 | Very low | 233 Ų | 233 | 127.9 Ų | 127.9 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | -157.5 | 123.6 | 117.4 | -160.9 | 168.9 | -176.6 | 121.1 | -2.9 | 112.1 | |||||
| 239 | A | 42.2 | Very low | 43 | Very low | 76 Ų | 76 | 133.4 Ų | 133.4 | 63% | 0.628 | 78% | 0.78 | S | S | * | * | trans | -96.7 | 159.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 240 | Q | 41.7 | Very low | 42.3 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | -130 | 141.3 | 164.5 | -76 | -69.7 | -83.6 | 0 | 0 | 109.1 | ||||
| 241 | P | 46.9 | Very low | 41.9 | Very low | 102 Ų | 102 | 136 Ų | 136 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | trans | -96.7 | 157.5 | -160.6 | 37.3 | -35.6 | 0 | 0 | 0 | 114 | ||||
| 242 | S | 35.5 | Very low | 41.6 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -69.3 | 137 | 158.9 | -53.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 243 | V | 49.3 | Very low | 41.5 | Very low | 136 Ų | 136 | 139.1 Ų | 139.1 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -126.9 | 124.4 | 166.1 | -103 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 244 | S | 38.9 | Very low | 41 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -97.6 | 118.1 | -179.2 | -56.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 245 | L | 43.8 | Very low | 40.8 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 94% | 0.937 | 79% | 0.787 | S | S | * | * | trans | -143.7 | 134.4 | 161.9 | -85.6 | 155.8 | 0 | 0 | 0 | 105.2 | ||||
| 246 | G | 40.3 | Very low | 40.6 | Very low | 69 Ų | 69 | 137.2 Ų | 137.2 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | cis | 139.9 | 78.8 | 10.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 247 | A | 42.3 | Very low | 40.6 | Very low | 78 Ų | 78 | 139.3 Ų | 139.3 | 65% | 0.645 | 80% | 0.797 | S | S | * | * | trans | 43.7 | 114.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | Y249 | A247-Y249 HydrophobicContact CB-CE1 4.36Š| ||
| 248 | A | 42.6 | Very low | 40.7 | Very low | 86 Ų | 86 | 132.6 Ų | 132.6 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -163.2 | 96.1 | 136.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 249 | Y | 37.1 | Very low | 41 | Very low | 201 Ų | 201 | 127.7 Ų | 127.7 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | trans | -7 | 122 | 144.7 | 11.1 | -94.2 | 0 | 0 | 0 | 118.3 | A247 | A247-Y249 HydrophobicContact CB-CE1 4.36Š| ||
| 250 | R | 35.6 | Very low | 40.8 | Very low | 250 Ų | 250 | 127.5 Ų | 127.5 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | -169.9 | 142.8 | 109.8 | -154 | 163.9 | -167.1 | 151.8 | 2.9 | 112.1 | |||||
| 251 | A | 37.3 | Very low | 40.5 | Very low | 84 Ų | 84 | 130 Ų | 130 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | trans | -80.6 | 146.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 252 | Q | 41.8 | Very low | 40.2 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | trans | -138.8 | 135.6 | 159.4 | -76 | -63.1 | -79.7 | 0 | 0 | 109.5 | ||||
| 253 | P | 42.9 | Very low | 40.5 | Very low | 113 Ų | 113 | 137 Ų | 137 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -86.8 | 167 | -177.9 | 35.7 | -35.4 | 0 | 0 | 0 | 113 | A255 | P253-A255 PolarHBondContact O-N 3.01Š| ||
| 254 | S | 33.9 | Very low | 40 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -50.1 | 126.5 | 170.9 | -177.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 255 | A | 43.6 | Very low | 40.4 | Very low | 93 Ų | 93 | 138 Ų | 138 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -141.3 | 121 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P253 | P253-A255 PolarHBondContact O-N 3.01Š| ||
| 256 | S | 40.2 | Very low | 40.1 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -81.4 | 128.1 | -179.4 | 45.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 257 | L | 43.8 | Very low | 40.3 | Very low | 181 Ų | 181 | 141.5 Ų | 141.5 | 95% | 0.948 | 80% | 0.801 | S | S | * | * | trans | -102.9 | 133.3 | 163.7 | -73.9 | 148.4 | 0 | 0 | 0 | 108.4 | ||||
| 258 | G | 37.7 | Very low | 40 | Very low | 70 Ų | 70 | 142.2 Ų | 142.2 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | cis | -173.4 | 153.4 | -9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 259 | V | 42.9 | Very low | 39.9 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | -129.2 | 124.2 | 168.1 | 175.8 | 0 | 0 | 0 | 0 | 106.7 | Y261 | V259-Y261 HydrophobicContact CG1-CE2 4.23Š| ||
| 260 | G | 38.5 | Very low | 40 | Very low | 72 Ų | 72 | 142.1 Ų | 142.1 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -90.1 | 129.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 261 | Y | 35.4 | Very low | 40.2 | Very low | 219 Ų | 219 | 134.4 Ų | 134.4 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -127.3 | 142.2 | 157.3 | -80.2 | -80 | 0 | 0 | 0 | 109.9 | V259 | V259-Y261 HydrophobicContact CG1-CE2 4.23Š| ||
| 262 | R | 42 | Very low | 40.4 | Very low | 254 Ų | 254 | 135.2 Ų | 135.2 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | trans | -89 | 154.5 | -173.8 | -162.4 | 177.5 | -175.4 | -175 | 1.4 | 110.5 | ||||
| 263 | T | 40.8 | Very low | 40.2 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 69% | 0.693 | 81% | 0.806 | S | S | * | * | trans | -124.7 | 166.7 | -155 | 48.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 264 | Q | 39.7 | Very low | 39.8 | Very low | 175 Ų | 175 | 143 Ų | 143 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | 88.4 | 155.9 | 151 | -60.8 | -137.3 | 25.7 | 0 | 0 | 120.3 | ||||
| 265 | P | 46.2 | Very low | 40.2 | Very low | 102 Ų | 102 | 140.8 Ų | 140.8 | 66% | 0.662 | 80% | 0.803 | S | S | * | * | cis | -145.7 | 167.9 | -36.8 | 39.5 | -22.6 | 0 | 0 | 0 | 117.4 | ||||
| 266 | M | 37 | Very low | 40.3 | Very low | 171 Ų | 171 | 144.8 Ų | 144.8 | 84% | 0.842 | 81% | 0.806 | S | S | * | * | trans | 33 | 129.4 | 144.4 | -70.2 | -66.6 | -170.2 | 0 | 0 | 123.7 | ||||
| 267 | T | 44.2 | Very low | 40.6 | Very low | 151 Ų | 151 | 144 Ų | 144 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | -167.1 | 167.4 | 116 | 15.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 268 | A | 37.6 | Very low | 40.2 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | -118.1 | -174.6 | -159.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 269 | Q | 39.5 | Very low | 40.5 | Very low | 196 Ų | 196 | 144.4 Ų | 144.4 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | 86 | 149.8 | 179.8 | -53.5 | 178.8 | -6.8 | 0 | 0 | 115.8 | ||||
| 270 | A | 39 | Very low | 40.4 | Very low | 90 Ų | 90 | 142.9 Ų | 142.9 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | cis | -169.9 | 151.6 | -31.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 271 | A | 39.6 | Very low | 40.5 | Very low | 88 Ų | 88 | 148.2 Ų | 148.2 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 42.3 | 127.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 272 | S | 41.1 | Very low | 40.6 | Very low | 101 Ų | 101 | 141 Ų | 141 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | -177.4 | 149.4 | 77.8 | -73.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 273 | Y | 38.6 | Very low | 40.6 | Very low | 219 Ų | 219 | 133.7 Ų | 133.7 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -4 | 147.5 | 154.9 | -43.1 | -85.9 | 0 | 0 | 0 | 118.5 | ||||
| 274 | R | 35.3 | Very low | 40.9 | Very low | 234 Ų | 234 | 133.5 Ų | 133.5 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | cis | -176 | 139.2 | 43.3 | -175.6 | 164.4 | 175.6 | 148.2 | 0.7 | 113.4 | ||||
| 275 | A | 41.1 | Very low | 40.8 | Very low | 82 Ų | 82 | 135.9 Ų | 135.9 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | 62.4 | 154.3 | 147.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 276 | Q | 46.1 | Very low | 40.5 | Very low | 177 Ų | 177 | 143.2 Ų | 143.2 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | cis | -164.3 | 176.2 | -8.5 | -105.7 | -75.6 | -68.9 | 0 | 0 | 107.3 | ||||
| 277 | P | 45.5 | Very low | 40.5 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 68% | 0.682 | 80% | 0.801 | S | S | * | * | -122.5 | 174.5 | -115.3 | 44.1 | -32 | 0 | 0 | 0 | 116.6 | |||||
| 278 | S | 36.3 | Very low | 40.4 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -81.6 | 131.9 | 167.8 | -47.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 279 | V | 45.1 | Very low | 40.5 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 93% | 0.927 | 80% | 0.803 | S | S | * | * | trans | -70.6 | 144.2 | 168.1 | -89.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 280 | S | 39.1 | Very low | 40.5 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | -126.4 | -176.1 | -169.8 | -62.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 281 | L | 40.7 | Very low | 40.8 | Very low | 183 Ų | 183 | 139 Ų | 139 | 96% | 0.958 | 79% | 0.794 | S | S | * | * | trans | 96.2 | 134.1 | 164.5 | -52.7 | 156.4 | 0 | 0 | 0 | 115.8 | ||||
| 282 | G | 37.7 | Very low | 41.2 | Very low | 69 Ų | 69 | 140.6 Ų | 140.6 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | cis | 158.7 | 136.2 | -11.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 283 | A | 41.8 | Very low | 41.2 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | 68.2 | 158 | 162.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 284 | P | 48.3 | Very low | 41.4 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | -138.1 | -176.2 | 64.8 | 25.2 | -0.8 | 0 | 0 | 0 | 116.5 | |||||
| 285 | Y | 36.6 | Very low | 41.8 | Very low | 225 Ų | 225 | 133 Ų | 133 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | 90.1 | 100.3 | 160.9 | -71 | -76.3 | 0 | 0 | 0 | 122.3 | ||||
| 286 | R | 39.8 | Very low | 41.6 | Very low | 256 Ų | 256 | 134 Ų | 134 | 97% | 0.966 | 79% | 0.793 | S | S | * | * | trans | -169.4 | 136 | 133 | -158.3 | 172.7 | -171.5 | 166.1 | 1.9 | 107.7 | ||||
| 287 | G | 37.4 | Very low | 41 | Very low | 68 Ų | 68 | 129.9 Ų | 129.9 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | cis | 160.7 | 120 | -7.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 288 | Q | 41.1 | Very low | 40.5 | Very low | 190 Ų | 190 | 129.5 Ų | 129.5 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -173.4 | 150.6 | 177.8 | -98.1 | 169 | 23.5 | 0 | 0 | 106.6 | ||||
| 289 | L | 40.7 | Very low | 40.5 | Very low | 157 Ų | 157 | 128.8 Ų | 128.8 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | cis | -161.2 | 154.9 | -24.3 | -152 | 113.2 | 0 | 0 | 0 | 107.1 | ||||
| 290 | A | 39.7 | Very low | 40.1 | Very low | 78 Ų | 78 | 126.3 Ų | 126.3 | 65% | 0.645 | 79% | 0.785 | S | S | * | * | trans | 62.4 | 102.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 291 | S | 44.5 | Very low | 40 | Very low | 119 Ų | 119 | 127 Ų | 127 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | 67.4 | 156.9 | 108.1 | -58.6 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 292 | P | 48.3 | Very low | 40 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -134.1 | 166.5 | -134.3 | 42.9 | -27.4 | 0 | 0 | 0 | 118 | ||||
| 293 | S | 40.9 | Very low | 40.1 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -174.7 | 121.7 | 155.6 | 48 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 294 | S | 44.3 | Very low | 40.1 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | 87.9 | 127.2 | 87.1 | -60.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 295 | Q | 42.3 | Very low | 39.6 | Very low | 189 Ų | 189 | 133.7 Ų | 133.7 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | 66.1 | 150.4 | 162.4 | -59.6 | 167.4 | 19.8 | 0 | 0 | 115.6 | ||||
| 296 | S | 36.3 | Very low | 39.6 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | cis | 172.3 | 154.8 | -23.4 | 53.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 297 | A | 35.6 | Very low | 39.4 | Very low | 91 Ų | 91 | 118 Ų | 118 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | 70.9 | 116.6 | 159 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 298 | A | 33.8 | Very low | 39.5 | Very low | 96 Ų | 96 | 119.9 Ų | 119.9 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | 70 | 147.8 | 122.2 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 299 | A | 37.1 | Very low | 39.3 | Very low | 93 Ų | 93 | 118.6 Ų | 118.6 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 65.6 | 158.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 300 | S | 35.8 | Very low | 39.6 | Very low | 102 Ų | 102 | 117.3 Ų | 117.3 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | cis | -173.6 | 160.4 | -26.5 | -92 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 301 | S | 37.2 | Very low | 39.3 | Very low | 112 Ų | 112 | 118.1 Ų | 118.1 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | 66.7 | 153.8 | 167.3 | 83.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 302 | L | 41.4 | Very low | 39 | Very low | 169 Ų | 169 | 117 Ų | 117 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | cis | -130.1 | 153.7 | 3.6 | -65.3 | 138.3 | 0 | 0 | 0 | 106.5 | ||||
| 303 | G | 38.2 | Very low | 38.4 | Very low | 69 Ų | 69 | 116.8 Ų | 116.8 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | 110.4 | 112.3 | 52.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 304 | P | 43 | Very low | 38 | Very low | 128 Ų | 128 | 116 Ų | 116 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | -99.5 | 152.5 | -170 | 36.9 | -34.2 | 0 | 0 | 0 | 115.2 | ||||
| 305 | Y | 36.7 | Very low | 37.6 | Very low | 235 Ų | 235 | 119 Ų | 119 | 92% | 0.922 | 79% | 0.794 | S | S | * | * | trans | -117.1 | 135.2 | 159.7 | -90.6 | -108.1 | 0 | 0 | 0 | 106.4 | ||||
| 306 | G | 37.7 | Very low | 37.4 | Very low | 78 Ų | 78 | 114.8 Ų | 114.8 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | 85.9 | 122 | 53.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 307 | G | 35.1 | Very low | 37.3 | Very low | 75 Ų | 75 | 114.8 Ų | 114.8 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | 167.3 | -176.7 | 2.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 308 | A | 40.3 | Very low | 37.4 | Very low | 107 Ų | 107 | 121.6 Ų | 121.6 | 88% | 0.884 | 79% | 0.794 | S | S | * | * | trans | 76.3 | 108.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 309 | Q | 35.9 | Very low | 37.7 | Very low | 163 Ų | 163 | 120.8 Ų | 120.8 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -78.3 | 163.8 | 149.8 | -165.5 | -176.3 | -58.1 | 0 | 0 | 109.1 | ||||
| 310 | P | 46.6 | Very low | 37.8 | Very low | 129 Ų | 129 | 119.6 Ų | 119.6 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | -143 | 160.8 | 123.3 | 36.4 | -23.1 | 0 | 0 | 0 | 115.1 | |||||
| 311 | S | 33.6 | Very low | 38 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | trans | -133.1 | 116 | 176.7 | 50.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 312 | A | 38.3 | Very low | 38.1 | Very low | 94 Ų | 94 | 123.2 Ų | 123.2 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | 171.7 | 154.9 | 173 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 313 | S | 36.7 | Very low | 37.9 | Very low | 118 Ų | 118 | 120 Ų | 120 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | cis | -163.5 | 164.4 | -16.5 | -89.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 314 | A | 33 | Very low | 37.9 | Very low | 90 Ų | 90 | 121.3 Ų | 121.3 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | -23.1 | 145.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 315 | L | 34.2 | Very low | 37.7 | Very low | 162 Ų | 162 | 120 Ų | 120 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | -171.7 | 151.3 | 119.9 | -127.8 | 66.5 | 0 | 0 | 0 | 114.9 | |||||
| 316 | S | 38.2 | Very low | 37.7 | Very low | 102 Ų | 102 | 113.7 Ų | 113.7 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | 59.7 | 124.7 | 155 | -54.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 317 | S | 35.3 | Very low | 37.8 | Very low | 101 Ų | 101 | 115.1 Ų | 115.1 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | cis | 95.2 | 141.6 | 31.4 | -165.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 318 | Y | 37.3 | Very low | 38 | Very low | 235 Ų | 235 | 119.7 Ų | 119.7 | 92% | 0.922 | 80% | 0.796 | S | S | * | * | trans | 71.9 | 138.2 | -171.7 | -71.7 | -96.3 | 0 | 0 | 0 | 117.1 | ||||
| 319 | G | 39.1 | Very low | 37.7 | Very low | 78 Ų | 78 | 121.4 Ų | 121.4 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | cis | 171.4 | 157.3 | -8.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 320 | G | 40.6 | Very low | 37.9 | Very low | 69 Ų | 69 | 119.5 Ų | 119.5 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 108.4 | 112 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 321 | Q | 40.1 | Very low | 37.2 | Very low | 200 Ų | 200 | 123.9 Ų | 123.9 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | 65.2 | 139.2 | 60.9 | -74.6 | 177.2 | -51.9 | 0 | 0 | 114.2 | |||||
| 322 | A | 38.5 | Very low | 37.2 | Very low | 89 Ų | 89 | 122.7 Ų | 122.7 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | cis | -159.7 | 143.3 | 4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 323 | A | 37 | Very low | 37.2 | Very low | 102 Ų | 102 | 123 Ų | 123 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | 92.5 | 137.9 | 79.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 324 | A | 38 | Very low | 37 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | 149.4 | 106.6 | 154.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 325 | A | 39.2 | Very low | 37.2 | Very low | 100 Ų | 100 | 126 Ų | 126 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | 85.9 | 138.4 | 93.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 326 | S | 37 | Very low | 37.4 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | cis | -161.9 | 141.3 | 12 | 43.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 327 | S | 38.9 | Very low | 37.3 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | 41.4 | 139.7 | 133.2 | -25.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 328 | L | 40.5 | Very low | 37.3 | Very low | 172 Ų | 172 | 126.7 Ų | 126.7 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | cis | -160.8 | 157.5 | 47.1 | -106.8 | 129.9 | 0 | 0 | 0 | 114.6 | ||||
| 329 | N | 34.5 | Very low | 37.2 | Very low | 142 Ų | 142 | 119.9 Ų | 119.9 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -69.5 | 162.6 | 169.9 | -91.8 | -11 | 0 | 0 | 0 | 114.5 | ||||
| 330 | S | 38.5 | Very low | 36.9 | Very low | 123 Ų | 123 | 121.6 Ų | 121.6 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | -167.3 | 156.7 | 111.2 | -155.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 331 | Y | 33 | Very low | 36.5 | Very low | 221 Ų | 221 | 129.3 Ų | 129.3 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -106.6 | 159.8 | -178.2 | -91.6 | -111.8 | 0 | 0 | 0 | 112.3 | ||||
| 332 | G | 33.3 | Very low | 36.1 | Very low | 71 Ų | 71 | 122.9 Ų | 122.9 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | 113.9 | 160 | 131.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 333 | A | 37.9 | Very low | 35.8 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | 68 | 123.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 334 | Q | 32.6 | Very low | 35.8 | Very low | 200 Ų | 200 | 129.9 Ų | 129.9 | 94% | 0.935 | 81% | 0.805 | S | S | * | * | cis | 69.7 | 124.6 | 33.1 | -65.7 | -168.5 | -29.1 | 0 | 0 | 116.2 | ||||
| 335 | G | 37.9 | Very low | 36 | Very low | 72 Ų | 72 | 131 Ų | 131 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | 119.4 | 134.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 336 | S | 38.3 | Very low | 35.7 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | cis | 175.8 | 133.1 | -22.2 | -99.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 337 | S | 35.2 | Very low | 35.5 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | 41.6 | 115 | 150.1 | 60.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 338 | L | 36.3 | Very low | 35.1 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | -176.9 | 108.1 | 117.2 | -119.8 | 67.1 | 0 | 0 | 0 | 107.1 | |||||
| 339 | A | 34.5 | Very low | 34.7 | Very low | 93 Ų | 93 | 132 Ų | 132 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | 57.1 | 100.4 | 68.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 340 | S | 33.6 | Very low | 34.8 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | -166.1 | 138 | 118.7 | -157.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 341 | Y | 31.2 | Very low | 34.5 | Very low | 230 Ų | 230 | 133.5 Ų | 133.5 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -20.7 | 145.9 | 164.4 | -73.2 | -99.1 | 0 | 0 | 0 | 120.3 | ||||
| 342 | G | 32.3 | Very low | 34.7 | Very low | 66 Ų | 66 | 127.4 Ų | 127.4 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | 129 | 118.9 | 106.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 343 | N | 32.2 | Very low | 34.8 | Very low | 164 Ų | 164 | 128.5 Ų | 128.5 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | 65.5 | 129.1 | 146.8 | -72.6 | -7 | 0 | 0 | 0 | 122.3 | ||||
| 344 | Q | 37.6 | Very low | 34.8 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | -48.6 | 155.5 | 147.4 | -67.3 | -106.4 | -46.2 | 0 | 0 | 111.7 | ||||
| 345 | P | 41.5 | Very low | 35.2 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | -141 | 150.3 | 119.4 | 34.7 | -21.5 | 0 | 0 | 0 | 115.6 | |||||
| 346 | S | 33.6 | Very low | 35.2 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | trans | -67.8 | 156.9 | 163.3 | -50.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 347 | S | 31.8 | Very low | 35.1 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | trans | 40.1 | 115.2 | 145.5 | 60.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 348 | Y | 31.8 | Very low | 35 | Very low | 238 Ų | 238 | 131.8 Ų | 131.8 | 93% | 0.933 | 80% | 0.798 | S | S | * | * | -174.4 | 158.9 | 108.5 | -114.7 | -96 | 0 | 0 | 0 | 110.8 | |||||
| 349 | G | 31.5 | Very low | 34.9 | Very low | 74 Ų | 74 | 135.6 Ų | 135.6 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | -84.1 | 166.4 | -161.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 350 | A | 36.2 | Very low | 34.8 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -164.2 | 113.4 | 147.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 351 | Q | 32.6 | Very low | 34.8 | Very low | 202 Ų | 202 | 135 Ų | 135 | 94% | 0.944 | 80% | 0.804 | S | S | * | * | 62.9 | 85.6 | 73.3 | -74.5 | -163.2 | -45 | 0 | 0 | 116.2 | |||||
| 352 | A | 36.5 | Very low | 34.8 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -173.7 | 109.5 | 139.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 353 | A | 36.7 | Very low | 34.9 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | 64.5 | 124.8 | 88.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 354 | S | 38 | Very low | 35 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | cis | -157.2 | 154 | -4.6 | -68 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 355 | S | 40.6 | Very low | 34.8 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | 177.3 | 158.3 | 56.1 | 45.3 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 356 | Y | 37.5 | Very low | 34.3 | Very low | 237 Ų | 237 | 132 Ų | 132 | 93% | 0.929 | 80% | 0.801 | S | S | * | * | trans | 19.4 | 130.5 | 162.3 | -67.4 | -92.4 | 0 | 0 | 0 | 121 | ||||
| 357 | G | 36.9 | Very low | 34.3 | Very low | 73 Ų | 73 | 132.8 Ų | 132.8 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | cis | 175.2 | 129.6 | 1.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 358 | V | 32.8 | Very low | 34.3 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | trans | -99.5 | 138.9 | -171.9 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 359 | R | 34 | Very low | 34.4 | Very low | 243 Ų | 243 | 129.4 Ų | 129.4 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | -173.5 | 127.1 | 128.3 | -109.2 | 168.4 | -86.3 | -164.2 | -5.2 | 115.5 | |||||
| 360 | A | 33.1 | Very low | 34.3 | Very low | 96 Ų | 96 | 130.7 Ų | 130.7 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | -90.8 | 147.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 361 | A | 33 | Very low | 34.2 | Very low | 99 Ų | 99 | 131 Ų | 131 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -169.7 | 129.4 | 150.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 362 | A | 31.6 | Very low | 34.3 | Very low | 87 Ų | 87 | 126.3 Ų | 126.3 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | trans | 33 | 115.9 | 140.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 363 | S | 32.8 | Very low | 34.4 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | 38.9 | 103.2 | 116.6 | -48.4 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 364 | S | 35.1 | Very low | 34.4 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -164.9 | 133.5 | 137.7 | 38.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 365 | Y | 32.9 | Very low | 34.4 | Very low | 225 Ų | 225 | 128.6 Ų | 128.6 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | 26.7 | 127.3 | 152.2 | -62.5 | -80.3 | 0 | 0 | 0 | 123.6 | ||||
| 366 | N | 30.7 | Very low | 34.3 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -50.9 | 120.1 | 156.2 | 164.8 | 39.4 | 0 | 0 | 0 | 114 | ||||
| 367 | T | 34.7 | Very low | 34.3 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | trans | -166.9 | 129.9 | 137.3 | 34.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 368 | Q | 31.5 | Very low | 34.5 | Very low | 190 Ų | 190 | 128.5 Ų | 128.5 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | 43.3 | 128.1 | 139.4 | -63.1 | 170.4 | -41.1 | 0 | 0 | 121.7 | ||||
| 369 | G | 33.3 | Very low | 34.6 | Very low | 74 Ų | 74 | 127 Ų | 127 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | 127.2 | 97.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 370 | A | 29.2 | Very low | 34.9 | Very low | 101 Ų | 101 | 125.2 Ų | 125.2 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | 83 | 141.3 | 65.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 371 | A | 34.1 | Very low | 34.8 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | 70.6 | 144.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 372 | S | 34.8 | Very low | 35.2 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | cis | -172.3 | 175.6 | -13.4 | 49.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 373 | S | 38.6 | Very low | 35.4 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | 78 | 138.5 | 165.3 | 89.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 374 | L | 36.9 | Very low | 35.5 | Very low | 175 Ų | 175 | 131.5 Ų | 131.5 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | cis | -142.8 | 159.8 | -15.8 | -72.7 | 109.5 | 0 | 0 | 0 | 106.6 | ||||
| 375 | G | 38.3 | Very low | 35.6 | Very low | 67 Ų | 67 | 130.1 Ų | 130.1 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | cis | 177 | 160.5 | -6.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 376 | S | 38.5 | Very low | 35.7 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 67% | 0.671 | 81% | 0.811 | S | S | * | * | trans | 46.6 | 136.7 | 148.5 | -116.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 377 | Y | 37.7 | Very low | 36 | Very low | 234 Ų | 234 | 126.1 Ų | 126.1 | 92% | 0.918 | 81% | 0.814 | S | S | * | * | cis | -151.1 | 165.8 | 23.8 | -93.5 | -85.2 | 0 | 0 | 0 | 111.2 | ||||
| 378 | G | 40.1 | Very low | 36 | Very low | 81 Ų | 81 | 126.1 Ų | 126.1 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | 131.5 | 68.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 379 | A | 36.5 | Very low | 36.2 | Very low | 102 Ų | 102 | 122.5 Ų | 122.5 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -95.6 | 145.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 380 | Q | 39.2 | Very low | 36.4 | Very low | 204 Ų | 204 | 123 Ų | 123 | 95% | 0.953 | 82% | 0.819 | S | S | * | * | trans | -150.5 | 119.9 | 144.1 | -119.7 | 172.9 | -11.5 | 0 | 0 | 109.2 | ||||
| 381 | A | 32.4 | Very low | 36.8 | Very low | 103 Ų | 103 | 123.9 Ų | 123.9 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -131.2 | 131.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 382 | A | 40.5 | Very low | 37.2 | Very low | 99 Ų | 99 | 123.8 Ų | 123.8 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -166.2 | 150.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 383 | S | 35.4 | Very low | 37.4 | Very low | 99 Ų | 99 | 126.6 Ų | 126.6 | 69% | 0.692 | 82% | 0.818 | S | S | * | * | cis | -166.7 | 157.4 | -27.3 | 66.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 384 | Y | 35.2 | Very low | 37.3 | Very low | 234 Ų | 234 | 125.9 Ų | 125.9 | 92% | 0.918 | 82% | 0.818 | S | S | * | * | trans | 40.7 | 132.3 | 160.2 | -67.8 | -76.1 | 0 | 0 | 0 | 122.3 | ||||
| 385 | G | 37.6 | Very low | 37.2 | Very low | 79 Ų | 79 | 129.2 Ų | 129.2 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | 158.7 | 66.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 386 | A | 34.2 | Very low | 37.1 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -83.6 | 132.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 387 | Q | 38.1 | Very low | 36.8 | Very low | 186 Ų | 186 | 129.9 Ų | 129.9 | 87% | 0.869 | 83% | 0.831 | S | S | * | * | trans | -151.3 | 113 | 163 | -119.9 | 167.5 | -8.4 | 0 | 0 | 113 | ||||
| 388 | S | 34.6 | Very low | 36.7 | Very low | 113 Ų | 113 | 128 Ų | 128 | 79% | 0.79 | 83% | 0.831 | S | S | * | * | trans | 39.3 | 100.4 | 147.4 | 56.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 389 | A | 34.7 | Very low | 36.3 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 93% | 0.934 | 83% | 0.833 | S | S | * | * | trans | -108.6 | 111.7 | 147.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 390 | A | 38.7 | Very low | 36.3 | Very low | 86 Ų | 86 | 128.6 Ų | 128.6 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | trans | -141.2 | 147.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 391 | S | 37.3 | Very low | 36 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | 72.8 | 135.4 | -175.4 | -44.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 392 | S | 42.5 | Very low | 36.1 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 69% | 0.685 | 82% | 0.816 | S | S | * | * | cis | -174.4 | 172 | -14.8 | 42.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 393 | L | 38.6 | Very low | 35.9 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | trans | 74.5 | 93 | 169.8 | -53.4 | 161.1 | 0 | 0 | 0 | 114.2 | ||||
| 394 | A | 36.6 | Very low | 35.8 | Very low | 88 Ų | 88 | 130.9 Ų | 130.9 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | cis | 81.5 | 96.5 | 37.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 395 | Y | 33.8 | Very low | 35.8 | Very low | 246 Ų | 246 | 127.9 Ų | 127.9 | 97% | 0.965 | 81% | 0.811 | S | S | * | * | trans | -171.5 | 132.4 | 144.8 | -104.5 | -78.3 | 0 | 0 | 0 | 104.8 | ||||
| 396 | G | 36 | Very low | 36 | Very low | 64 Ų | 64 | 129.2 Ų | 129.2 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | cis | 160.5 | 73.4 | 4.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q398 | G396-Q398 PolarHBondContact O-N 3Š| ||
| 397 | A | 33 | Very low | 36 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 93% | 0.926 | 81% | 0.81 | S | S | * | * | trans | -76.2 | 108.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 398 | Q | 34.8 | Very low | 36 | Very low | 195 Ų | 195 | 125.5 Ų | 125.5 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -95.4 | 118.4 | 172.8 | -89 | -177.4 | -48.8 | 0 | 0 | 111.2 | G396 | G396-Q398 PolarHBondContact O-N 3Š| ||
| 399 | A | 32 | Very low | 36 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -87 | 122.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 400 | A | 36.8 | Very low | 35.9 | Very low | 88 Ų | 88 | 130.1 Ų | 130.1 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -159.2 | 109.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 401 | S | 33 | Very low | 35.7 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | 52.9 | 99.7 | 91.1 | -174.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 402 | Y | 35.4 | Very low | 35.4 | Very low | 218 Ų | 218 | 130.5 Ų | 130.5 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | -161.9 | 130.3 | 117.4 | -109 | -71 | 0 | 0 | 0 | 113.1 | |||||
| 403 | N | 35.8 | Very low | 35.2 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | 52.5 | 119.6 | 155.8 | -111.6 | 14.9 | 0 | 0 | 0 | 122.1 | ||||
| 404 | A | 33.2 | Very low | 35 | Very low | 93 Ų | 93 | 131.4 Ų | 131.4 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -67.5 | 141.1 | 149.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 405 | Q | 35.3 | Very low | 35.1 | Very low | 171 Ų | 171 | 131.9 Ų | 131.9 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -142.6 | 130.4 | 157.1 | -89 | -98 | -83.4 | 0 | 0 | 107.4 | ||||
| 406 | P | 41 | Very low | 35.4 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | -74.9 | 142.5 | 177.4 | 31.2 | -33.6 | 0 | 0 | 0 | 110.6 | A408 | P406-A408 PolarHBondContact O-N 3.49Š| ||
| 407 | S | 34 | Very low | 35.4 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 94% | 0.944 | 79% | 0.789 | S | S | * | * | trans | -71 | 88.9 | 176.1 | 54.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 408 | A | 39.9 | Very low | 35.7 | Very low | 75 Ų | 75 | 132.6 Ų | 132.6 | 62% | 0.62 | 78% | 0.78 | S | S | * | * | trans | -122.6 | 137.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | P406 | P406-A408 PolarHBondContact O-N 3.49Š| ||
| 409 | S | 34.3 | Very low | 35.9 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | 47 | 102.1 | 161.2 | 48.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 410 | Y | 32.5 | Very low | 36.4 | Very low | 218 Ų | 218 | 130.3 Ų | 130.3 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | -177.6 | 90.4 | 121.9 | -104.8 | -74 | 0 | 0 | 0 | 111.2 | |||||
| 411 | N | 33.1 | Very low | 36.4 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | -145 | 60.6 | 135.9 | -166 | 18.1 | 0 | 0 | 0 | 110 | ||||
| 412 | A | 32.5 | Very low | 36.6 | Very low | 78 Ų | 78 | 134 Ų | 134 | 65% | 0.645 | 77% | 0.772 | S | S | * | * | trans | -88.5 | 89.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | S414 | A412-S414 VanDerWaalsContact C-N 3.3Å; A412-S414 PolarHBondContact O-N 2.76Å | ||
| 413 | Q | 36.7 | Very low | 36.7 | Very low | 175 Ų | 175 | 127.6 Ų | 127.6 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -73.7 | 94 | 163 | -89.8 | -178.5 | -60.3 | 0 | 0 | 108.5 | A415 | Q413-A415 PolarHBondContact O-N 3.29Š| ||
| 414 | S | 34.6 | Very low | 36.8 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -58.2 | 116.8 | 165 | 34.2 | 0 | 0 | 0 | 0 | 111.2 | A412 | A412-S414 VanDerWaalsContact C-N 3.3Å; A412-S414 PolarHBondContact O-N 2.76Å | ||
| 415 | A | 39.6 | Very low | 37 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | -80 | 129.4 | 124.6 | 0 | 0 | 0 | 0 | 0 | 105.4 | Q413 | Q413-A415 PolarHBondContact O-N 3.29Š| |||
| 416 | P | 40.5 | Very low | 37.1 | Very low | 109 Ų | 109 | 127.8 Ų | 127.8 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | -144.8 | 159.7 | 63.1 | 38.5 | -21.4 | 0 | 0 | 0 | 115.8 | |||||
| 417 | Y | 35.2 | Very low | 37 | Very low | 242 Ų | 242 | 127.3 Ų | 127.3 | 95% | 0.949 | 76% | 0.757 | S | S | * | * | trans | -156.2 | 160.1 | 156.4 | -117.1 | -81.9 | 0 | 0 | 0 | 111.1 | ||||
| 418 | A | 38.4 | Very low | 37.2 | Very low | 87 Ų | 87 | 129.9 Ų | 129.9 | 72% | 0.719 | 75% | 0.754 | S | S | * | * | trans | 69.2 | 100.8 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 419 | A | 40.9 | Very low | 37.4 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | 67.7 | 137.8 | 64.8 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 420 | Q | 41.3 | Very low | 37.5 | Very low | 163 Ų | 163 | 131 Ų | 131 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | cis | -164.5 | 158.1 | 13.3 | -139.8 | 173.4 | 24.4 | 0 | 0 | 109.8 | ||||
| 421 | Q | 37.2 | Very low | 37.7 | Very low | 177 Ų | 177 | 124.7 Ų | 124.7 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | trans | 68.5 | 146.9 | 167 | -51.4 | 176.5 | 43.7 | 0 | 0 | 115.8 | ||||
| 422 | A | 36.3 | Very low | 37.8 | Very low | 87 Ų | 87 | 128.9 Ų | 128.9 | 72% | 0.719 | 76% | 0.76 | S | S | * | * | cis | -144.7 | 159.3 | 4.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 423 | A | 38.2 | Very low | 38.1 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | trans | 52.8 | 101.3 | 142.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 424 | S | 38.5 | Very low | 38.2 | Very low | 101 Ų | 101 | 127 Ų | 127 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | 81.4 | 124.2 | 86.4 | 15.7 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 425 | Y | 36 | Very low | 38.3 | Very low | 222 Ų | 222 | 130.9 Ų | 130.9 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | trans | 61.6 | 153.3 | 162.1 | -72.1 | -109 | 0 | 0 | 0 | 117.5 | ||||
| 426 | S | 39.4 | Very low | 38.6 | Very low | 86 Ų | 86 | 131.3 Ų | 131.3 | 60% | 0.601 | 76% | 0.761 | S | S | * | * | cis | -168.4 | 165.6 | -33.1 | 55.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 427 | S | 38.1 | Very low | 38.4 | Very low | 97 Ų | 97 | 130.3 Ų | 130.3 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | 52.2 | 96.8 | 148.8 | 58.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 428 | Q | 38.5 | Very low | 38.7 | Very low | 190 Ų | 190 | 126.1 Ų | 126.1 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | 63.8 | 156.2 | 121.1 | -73.3 | -89.8 | -25.3 | 0 | 0 | 121.4 | |||||
| 429 | P | 42.9 | Very low | 38.6 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | -112.9 | 171.9 | -163.2 | 42.6 | -32.4 | 0 | 0 | 0 | 114.2 | ||||
| 430 | A | 36.7 | Very low | 38.5 | Very low | 96 Ų | 96 | 127.8 Ų | 127.8 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | trans | 174.1 | 165.4 | 134.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 431 | A | 37.3 | Very low | 38.2 | Very low | 85 Ų | 85 | 124.5 Ų | 124.5 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | trans | 81.2 | 115.7 | 148.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 432 | Y | 34.2 | Very low | 38.3 | Very low | 223 Ų | 223 | 127 Ų | 127 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | 42.8 | 125.3 | 124.8 | -85 | -97.2 | 0 | 0 | 0 | 120.3 | |||||
| 433 | V | 39.5 | Very low | 38.5 | Very low | 141 Ų | 141 | 127.1 Ų | 127.1 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | -174.9 | 159.6 | 95.2 | 155.5 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 434 | A | 37.9 | Very low | 38.4 | Very low | 73 Ų | 73 | 128.1 Ų | 128.1 | 60% | 0.603 | 78% | 0.782 | S | S | * | * | trans | -105.6 | 161 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 435 | Q | 37 | Very low | 38.6 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | 66 | 167.5 | 148.6 | -78.6 | -179.9 | -28.1 | 0 | 0 | 119 | ||||
| 436 | P | 46.1 | Very low | 38.8 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | cis | -137.1 | 175.8 | -41.3 | 38.1 | -22.8 | 0 | 0 | 0 | 113.9 | ||||
| 437 | A | 37.8 | Very low | 39.1 | Very low | 87 Ų | 87 | 127.4 Ų | 127.4 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | trans | 50.5 | 131.4 | 147 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 438 | T | 41.2 | Very low | 39 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 95% | 0.945 | 80% | 0.799 | S | S | * | * | -170.7 | 153.7 | 120.3 | 17.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 439 | A | 34.8 | Very low | 39.1 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -101.1 | 150.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 440 | A | 40.2 | Very low | 38.9 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -149.2 | 130.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 441 | A | 35 | Very low | 39.1 | Very low | 94 Ų | 94 | 129.7 Ų | 129.7 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | trans | -121.2 | 135.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 442 | Y | 39 | Very low | 39 | Very low | 230 Ų | 230 | 134.9 Ų | 134.9 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | -151.2 | 118.2 | 160.6 | -94.4 | -84 | 0 | 0 | 0 | 105.5 | ||||
| 443 | A | 39.3 | Very low | 39.3 | Very low | 89 Ų | 89 | 128.3 Ų | 128.3 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | 64.5 | 139.7 | 95.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 444 | S | 37.3 | Very low | 39.4 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | cis | -170.3 | -179.3 | -9.9 | 51.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 445 | Q | 41.6 | Very low | 39.8 | Very low | 168 Ų | 168 | 130.6 Ų | 130.6 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | 118.3 | 118.5 | 167.7 | -66.1 | -89.3 | -7 | 0 | 0 | 115.6 | ||||
| 446 | P | 41.7 | Very low | 40.2 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | -125.7 | 134.8 | 139.5 | 35 | -24.6 | 0 | 0 | 0 | 111.3 | ||||
| 447 | A | 44 | Very low | 39.8 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | trans | -100.1 | 128.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 448 | A | 36.7 | Very low | 39.9 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | trans | -100.8 | 151.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 449 | Y | 41.3 | Very low | 39.8 | Very low | 242 Ų | 242 | 127.3 Ų | 127.3 | 95% | 0.949 | 82% | 0.817 | S | S | * | * | trans | -135.5 | 139.4 | 161.4 | -109.9 | -89.4 | 0 | 0 | 0 | 109.6 | ||||
| 450 | A | 38.2 | Very low | 40 | Very low | 97 Ų | 97 | 127.5 Ų | 127.5 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -107.2 | 156.4 | -165.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 451 | A | 40.4 | Very low | 39.8 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | trans | -152.3 | 143.9 | 154 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 452 | Q | 36.7 | Very low | 40 | Very low | 194 Ų | 194 | 132.3 Ų | 132.3 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | trans | -105.9 | 151.9 | -165.3 | -59.1 | 159.3 | -69 | 0 | 0 | 113.5 | ||||
| 453 | A | 39.7 | Very low | 40 | Very low | 86 Ų | 86 | 125.6 Ų | 125.6 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | 177.8 | 111.2 | 128.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 454 | T | 42 | Very low | 39.9 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | 46.7 | 126.6 | 99.3 | 6.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 455 | T | 45.1 | Very low | 40.3 | Very low | 134 Ų | 134 | 129.7 Ų | 129.7 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | cis | -160.8 | 162.2 | 43.6 | -3.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 456 | P | 45.8 | Very low | 39.9 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | trans | -119.2 | 179.8 | -171.5 | 43.2 | -32.2 | 0 | 0 | 0 | 116.5 | ||||
| 457 | M | 37.1 | Very low | 39.6 | Very low | 187 Ų | 187 | 127.9 Ų | 127.9 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | 127.2 | 149.2 | 165.8 | -73.9 | -89.6 | -149.5 | 0 | 0 | 112.1 | ||||
| 458 | A | 39.8 | Very low | 39.1 | Very low | 87 Ų | 87 | 131.2 Ų | 131.2 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | cis | -171.4 | 157.7 | -22.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 459 | G | 39.7 | Very low | 39.1 | Very low | 79 Ų | 79 | 132.5 Ų | 132.5 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | trans | 83.8 | 152.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 460 | S | 39 | Very low | 38.8 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | cis | -160.6 | 133.9 | 1.1 | -165.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 461 | Y | 36.3 | Very low | 38.7 | Very low | 231 Ų | 231 | 130.4 Ų | 130.4 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | 35 | 139.9 | 145.7 | -75.5 | -95.4 | 0 | 0 | 0 | 125.9 | ||||
| 462 | G | 40.2 | Very low | 38.5 | Very low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | 120.4 | 106.3 | 152.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 463 | A | 38.7 | Very low | 38.5 | Very low | 88 Ų | 88 | 126.4 Ų | 126.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | 120.9 | 98.4 | 3.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 464 | Q | 37.3 | Very low | 38.4 | Very low | 171 Ų | 171 | 133.3 Ų | 133.3 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | 68.2 | 165.2 | 151 | -59.7 | -66 | -11.8 | 0 | 0 | 119 | ||||
| 465 | P | 45.9 | Very low | 38.4 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | cis | -125.6 | 169.3 | -1.7 | 38.7 | -22.6 | 0 | 0 | 0 | 117 | ||||
| 466 | V | 32.5 | Very low | 37.9 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -76.8 | 140.4 | 164 | 165.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 467 | V | 36.1 | Very low | 37.4 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -134.7 | 146.9 | 153.6 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 468 | Q | 32.6 | Very low | 37.3 | Very low | 167 Ų | 167 | 128.3 Ų | 128.3 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | -110.2 | -169.4 | -161.5 | -168.1 | 172.5 | 0.1 | 0 | 0 | 110.5 | ||||
| 469 | T | 36.4 | Very low | 37 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | 85.3 | 130.8 | 158.5 | -36.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 470 | Q | 34.8 | Very low | 36.8 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | cis | -173.9 | 179.8 | -6.1 | -115.6 | -80 | 16.2 | 0 | 0 | 109.7 | ||||
| 471 | L | 36.1 | Very low | 36.6 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 71% | 0.707 | 77% | 0.766 | S | S | * | * | trans | 88.1 | 123.2 | 148 | -73.8 | 146.5 | 0 | 0 | 0 | 122.6 | ||||
| 472 | N | 37 | Very low | 36.8 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | 89.2 | 134.4 | 146.9 | -64.4 | -4.4 | 0 | 0 | 0 | 121 | ||||
| 473 | S | 36.2 | Very low | 36.7 | Very low | 77 Ų | 77 | 130.2 Ų | 130.2 | 54% | 0.538 | 77% | 0.765 | S | S | . | * | cis | 157.1 | 164.5 | -31.5 | 52.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 474 | Y | 37.3 | Very low | 36.6 | Very low | 232 Ų | 232 | 129.9 Ų | 129.9 | 91% | 0.91 | 77% | 0.77 | S | S | * | * | trans | 71.9 | 138.6 | -177.3 | -54.8 | -84.2 | 0 | 0 | 0 | 115.6 | ||||
| 475 | G | 41.5 | Very low | 36.7 | Very low | 69 Ų | 69 | 127.7 Ų | 127.7 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | cis | 172.9 | 116.9 | -7.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 476 | A | 35.8 | Very low | 35.9 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | 74.4 | 110.1 | 87.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 477 | Q | 34.5 | Very low | 36.3 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | 82.4 | 138.9 | 147 | -65.1 | -175 | -45.3 | 0 | 0 | 124 | ||||
| 478 | A | 35.2 | Very low | 36.5 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 69 | 150.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 479 | S | 33.9 | Very low | 36.5 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | cis | -169.5 | 175.6 | -14.8 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 480 | M | 35 | Very low | 36.4 | Very low | 183 Ų | 183 | 131 Ų | 131 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | trans | 69.5 | 145.4 | 175.4 | -42.3 | -67.9 | -175.6 | 0 | 0 | 114.7 | ||||
| 481 | G | 35.6 | Very low | 36.3 | Very low | 60 Ų | 60 | 128.1 Ų | 128.1 | 62% | 0.619 | 80% | 0.8 | S | S | * | * | cis | 151.3 | 159.4 | 2.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 482 | L | 39.7 | Very low | 36.3 | Very low | 168 Ų | 168 | 126.4 Ų | 126.4 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | trans | 79.7 | 110.2 | -177.5 | -48.3 | 164.4 | 0 | 0 | 0 | 114.2 | ||||
| 483 | S | 38 | Very low | 36 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | 56 | 126.1 | 58 | 82.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 484 | G | 36.5 | Very low | 36.1 | Very low | 81 Ų | 81 | 125.1 Ų | 125.1 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | cis | 138.7 | 135.7 | 7.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 485 | S | 40.1 | Very low | 36 | Very low | 126 Ų | 126 | 120.7 Ų | 120.7 | 88% | 0.881 | 82% | 0.815 | S | S | * | * | trans | -165.7 | 133.4 | 167.8 | -173 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 486 | Y | 29.2 | Very low | 35.7 | Very low | 241 Ų | 241 | 121.2 Ų | 121.2 | 95% | 0.945 | 82% | 0.821 | S | S | * | * | trans | -121.6 | 141.1 | 172.5 | -122.6 | -95.3 | 0 | 0 | 0 | 107.3 | ||||
| 487 | G | 40.7 | Very low | 35.7 | Very low | 73 Ų | 73 | 122.4 Ų | 122.4 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | trans | 158.2 | 149.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 488 | A | 39.5 | Very low | 35.6 | Very low | 99 Ų | 99 | 124.4 Ų | 124.4 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | cis | -153.6 | 171.6 | -6.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 489 | Q | 32.9 | Very low | 35.7 | Very low | 187 Ų | 187 | 123.1 Ų | 123.1 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -71.3 | 155.6 | -176.2 | -58.3 | 128 | -69.9 | 0 | 0 | 113.5 | ||||
| 490 | S | 36.1 | Very low | 35.8 | Very low | 126 Ų | 126 | 123.4 Ų | 123.4 | 88% | 0.881 | 83% | 0.828 | S | S | * | * | -158.9 | 136.8 | 125.2 | 41.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 491 | A | 31.8 | Very low | 35.8 | Very low | 101 Ų | 101 | 119.4 Ų | 119.4 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | -132.5 | 133.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 492 | A | 35.8 | Very low | 35.8 | Very low | 98 Ų | 98 | 121.5 Ų | 121.5 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | trans | -153.7 | 118.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 493 | A | 31.1 | Very low | 35.7 | Very low | 103 Ų | 103 | 118.4 Ų | 118.4 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | cis | 74 | 80 | 29.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 494 | A | 37.6 | Very low | 35.5 | Very low | 85 Ų | 85 | 125 Ų | 125 | 70% | 0.702 | 85% | 0.845 | S | S | * | * | trans | -164.2 | 113.6 | 149.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 495 | T | 36.2 | Very low | 35.5 | Very low | 140 Ų | 140 | 124.6 Ų | 124.6 | 86% | 0.859 | 84% | 0.841 | S | S | * | * | 38.5 | 115.3 | 90 | 58.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 496 | G | 34.2 | Very low | 35.4 | Very low | 80 Ų | 80 | 123.5 Ų | 123.5 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | cis | 115.7 | 119.9 | 19.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 497 | S | 35.9 | Very low | 35.7 | Very low | 120 Ų | 120 | 120.7 Ų | 120.7 | 84% | 0.839 | 84% | 0.835 | S | S | * | * | trans | -165.8 | 147.5 | 161.2 | -164.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 498 | Y | 32.6 | Very low | 35.7 | Very low | 234 Ų | 234 | 123 Ų | 123 | 92% | 0.918 | 84% | 0.836 | S | S | * | * | trans | -94.2 | 159.5 | 168.8 | -72.3 | -103.6 | 0 | 0 | 0 | 110 | ||||
| 499 | G | 38 | Very low | 35.6 | Very low | 73 Ų | 73 | 123.7 Ų | 123.7 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | trans | 133.3 | 89.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 500 | A | 35.9 | Very low | 36.1 | Very low | 103 Ų | 103 | 120 Ų | 120 | 85% | 0.851 | 84% | 0.836 | S | S | * | * | 82.9 | 137.6 | 66.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 501 | A | 35.5 | Very low | 36.1 | Very low | 99 Ų | 99 | 120.3 Ų | 120.3 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | 74.7 | 98.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 502 | A | 34 | Very low | 36.6 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 87% | 0.868 | 84% | 0.837 | S | S | * | * | 52.8 | 114.6 | 125.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 503 | A | 37.8 | Very low | 36.7 | Very low | 103 Ų | 103 | 123.8 Ų | 123.8 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | -160.1 | 152.4 | 124 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 504 | Y | 33.3 | Very low | 37.2 | Very low | 248 Ų | 248 | 123 Ų | 123 | 97% | 0.973 | 83% | 0.831 | S | S | * | * | trans | -61.4 | 145.4 | 177 | -85.1 | -116.4 | 0 | 0 | 0 | 113.6 | ||||
| 505 | G | 36.9 | Very low | 37.5 | Very low | 73 Ų | 73 | 124.8 Ų | 124.8 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | trans | 155.9 | 114.5 | 154.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 506 | A | 38.8 | Very low | 37.4 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 84% | 0.843 | 84% | 0.838 | S | S | * | * | trans | 46.7 | 123.9 | 148.8 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 507 | Q | 35.4 | Very low | 37.6 | Very low | 183 Ų | 183 | 137.1 Ų | 137.1 | 86% | 0.855 | 84% | 0.842 | S | S | * | * | trans | -67.1 | 147.9 | 159.6 | -67.3 | -96.1 | -68.9 | 0 | 0 | 112.1 | ||||
| 508 | P | 41.1 | Very low | 37.7 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 79% | 0.786 | 84% | 0.84 | S | S | * | * | trans | -123.7 | 128.9 | 145.7 | 34.1 | -23.5 | 0 | 0 | 0 | 112.2 | ||||
| 509 | S | 37.6 | Very low | 38.1 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -70 | 135.2 | 172.8 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 510 | A | 42.8 | Very low | 38 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 90% | 0.901 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 128.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 511 | T | 36.8 | Very low | 38 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 82% | 0.822 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 136.4 | 177.6 | -46.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 512 | L | 40.6 | Very low | 38.2 | Very low | 175 Ų | 175 | 138 Ų | 138 | 92% | 0.916 | 84% | 0.838 | S | S | * | * | trans | -139.5 | 132.3 | 163.2 | -100.6 | 163.5 | 0 | 0 | 0 | 110.4 | ||||
| 513 | A | 39.2 | Very low | 38.3 | Very low | 96 Ų | 96 | 138.7 Ų | 138.7 | 79% | 0.793 | 84% | 0.836 | S | S | * | * | trans | -86.3 | -178.9 | -176 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 514 | A | 41.1 | Very low | 38.5 | Very low | 88 Ų | 88 | 142 Ų | 142 | 73% | 0.727 | 84% | 0.838 | S | S | * | * | cis | -161.4 | -159.6 | 12.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 515 | P | 44.6 | Very low | 38.6 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 83% | 0.828 | S | S | * | * | -117.9 | 159.1 | -53.2 | 33.4 | -19.6 | 0 | 0 | 0 | 112.4 | |||||
| 516 | Y | 34 | Very low | 38.6 | Very low | 238 Ų | 238 | 136 Ų | 136 | 93% | 0.933 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 136.3 | 170.5 | -104.9 | -100.6 | 0 | 0 | 0 | 111.9 | ||
| 517 | R | 36.7 | Very low | 38.6 | Very low | 240 Ų | 240 | 136.4 Ų | 136.4 | 91% | 0.906 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 122.1 | 172.6 | -170.7 | 176.1 | -172.5 | 168.6 | 2.3 | 110 | ||
| 518 | T | 38.3 | Very low | 38.3 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 80% | 0.798 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -77 | 141.3 | 173.4 | 40.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 519 | Q | 41.9 | Very low | 38.3 | Very low | 196 Ų | 196 | 138.6 Ų | 138.6 | 92% | 0.916 | 84% | 0.838 | S | S | * | * | trans | -114.8 | 135.4 | 155.2 | -92.5 | -167.7 | -11.9 | 0 | 0 | 109.1 | ||||
| 520 | S | 36.3 | Very low | 38.1 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | trans | -84.5 | 121.9 | -167.3 | 47 | 0 | 0 | 0 | 0 | 112.8 | A522 | S520-A522 PolarHBondContact O-N 2.91Š| ||
| 521 | S | 34.5 | Very low | 38 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | trans | -80.5 | 94.2 | 158.5 | 53.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 522 | A | 41.1 | Very low | 38 | Very low | 87 Ų | 87 | 143 Ų | 143 | 72% | 0.719 | 83% | 0.834 | S | S | * | * | trans | -90.3 | 105 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S520 | S520-A522 PolarHBondContact O-N 2.91Š| ||
| 523 | S | 36 | Very low | 38 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -73.2 | 126.5 | 168.1 | 48.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 524 | L | 41.9 | Very low | 38.4 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | trans | -128.4 | 124.4 | 165.7 | -98.5 | 160.4 | 0 | 0 | 0 | 109.2 | ||||
| 525 | A | 34.3 | Very low | 38.4 | Very low | 91 Ų | 91 | 146.5 Ų | 146.5 | 75% | 0.752 | 82% | 0.823 | S | S | * | * | trans | -112.8 | 165.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 526 | A | 36.7 | Very low | 38.2 | Very low | 104 Ų | 104 | 145.5 Ų | 145.5 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | 67.8 | 149.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 527 | S | 39.6 | Very low | 38.4 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | cis | -147 | 151.5 | 13.2 | 45.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 528 | Y | 30.2 | Very low | 38.7 | Very low | 247 Ų | 247 | 131.9 Ų | 131.9 | 97% | 0.969 | 81% | 0.813 | S | S | * | * | trans | -77.2 | 130.4 | 164.3 | -95.2 | -104.3 | 0 | 0 | 0 | 110.1 | ||||
| 529 | A | 39.8 | Very low | 38.8 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -157.8 | 150.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 530 | A | 32.9 | Very low | 38.7 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -118.2 | 155.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 531 | Q | 42 | Very low | 38.8 | Very low | 190 Ų | 190 | 135.8 Ų | 135.8 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | 166 | 108.4 | 157.1 | -93.4 | 155.7 | 21.6 | 0 | 0 | 106.9 | ||||
| 532 | Q | 37.4 | Very low | 39.1 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | 88.4 | 114.8 | 57.3 | -75.5 | -132.2 | -12.3 | 0 | 0 | 116.8 | |||||
| 533 | H | 40.6 | Very low | 39.3 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | trans | 72.5 | 161.4 | 150.7 | -81.8 | -56.5 | 0 | 0 | 0 | 121.8 | ||||
| 534 | P | 46.6 | Very low | 39.9 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | cis | -134.5 | 155.6 | -4.7 | 22.5 | 2.1 | 0 | 0 | 0 | 119.5 | ||||
| 535 | Q | 41.1 | Very low | 39.9 | Very low | 177 Ų | 177 | 133.1 Ų | 133.1 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | 51.2 | 123.3 | 134.5 | -60.8 | 176.4 | -11.6 | 0 | 0 | 124.2 | ||||
| 536 | A | 39.6 | Very low | 40.4 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | 178.7 | 156.5 | 109.4 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 537 | A | 39.5 | Very low | 40.5 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | cis | -164.3 | 162.1 | -39.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 538 | A | 43 | Very low | 40.5 | Very low | 96 Ų | 96 | 142 Ų | 142 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | trans | 72.8 | 141.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 539 | S | 40.8 | Very low | 41 | Very low | 95 Ų | 95 | 137.6 Ų | 137.6 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | cis | -172.8 | 169.2 | -42.5 | 38.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 540 | Y | 39.5 | Very low | 41.1 | Very low | 195 Ų | 195 | 135.3 Ų | 135.3 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | 84.1 | 110.9 | 173 | -67.4 | -93.6 | 0 | 0 | 0 | 117.2 | ||||
| 541 | R | 38.5 | Very low | 41.6 | Very low | 232 Ų | 232 | 136.5 Ų | 136.5 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | cis | 101 | 131 | 46.1 | 177.9 | -176 | -165.3 | 174.5 | 5.7 | 109.4 | ||||
| 542 | G | 40.6 | Very low | 41.5 | Very low | 71 Ų | 71 | 131.3 Ų | 131.3 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | cis | -177 | -179 | -3.7 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 543 | Q | 44 | Very low | 41.7 | Very low | 192 Ų | 192 | 132.4 Ų | 132.4 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | cis | -157.4 | 175 | 1.1 | -101.6 | -117.5 | 5.2 | 0 | 0 | 108.7 | ||||
| 544 | P | 49.1 | Very low | 42.1 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -125.3 | -177.7 | -158.9 | 43.2 | -30.3 | 0 | 0 | 0 | 116.8 | ||||
| 545 | G | 41.5 | Very low | 41.8 | Very low | 65 Ų | 65 | 131.1 Ų | 131.1 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | trans | 137.2 | 112.8 | 144.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 546 | N | 44.8 | Very low | 41.6 | Very low | 175 Ų | 175 | 127.6 Ų | 127.6 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | -178.3 | 150.5 | 116.5 | -94.8 | -2.6 | 0 | 0 | 0 | 111.9 | |||||
| 547 | A | 39.6 | Very low | 41.6 | Very low | 93 Ų | 93 | 127 Ų | 127 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -142.6 | 179.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 548 | Y | 40.4 | Very low | 41.4 | Very low | 223 Ų | 223 | 132.4 Ų | 132.4 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | trans | 121.2 | 112.9 | 176.5 | -88.4 | -94.5 | 0 | 0 | 0 | 110.3 | ||||
| 549 | D | 40.8 | Very low | 41.1 | Very low | 154 Ų | 154 | 135 Ų | 135 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | 69.8 | 127.7 | 52.2 | -153.8 | -75.5 | 0 | 0 | 0 | 112.1 | |||||
| 550 | G | 41.4 | Very low | 41.1 | Very low | 57 Ų | 57 | 136.1 Ų | 136.1 | 59% | 0.588 | 81% | 0.807 | S | S | * | * | cis | 177.6 | -179.6 | 0.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 551 | A | 43.2 | Very low | 41 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 96% | 0.959 | 81% | 0.811 | S | S | * | * | trans | 65.4 | 146.9 | 165 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 552 | G | 39.6 | Very low | 41.2 | Very low | 82 Ų | 82 | 130 Ų | 130 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | 130.9 | 70.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 553 | Q | 41 | Very low | 40.9 | Very low | 189 Ų | 189 | 136.1 Ų | 136.1 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -89.8 | 178.4 | 151 | -96.8 | -150.7 | -2.3 | 0 | 0 | 109.8 | ||||
| 554 | P | 49.1 | Very low | 40.6 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 68% | 0.675 | 82% | 0.816 | S | S | * | * | cis | -132.1 | -175.6 | -3.4 | 35.9 | -16.4 | 0 | 0 | 0 | 113.8 | ||||
| 555 | S | 40.4 | Very low | 40 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | 158.1 | 153.5 | 123.3 | 56.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 556 | A | 38.1 | Very low | 40.1 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -125.4 | 145.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 557 | A | 39.4 | Very low | 39.7 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 74% | 0.744 | 82% | 0.824 | S | S | * | * | trans | -166.3 | 134 | 156.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 558 | Y | 33.6 | Very low | 39.6 | Very low | 208 Ų | 208 | 133.5 Ų | 133.5 | 82% | 0.816 | 83% | 0.829 | S | S | * | * | trans | 54.2 | 111.8 | 139.4 | -76.1 | -108.1 | 0 | 0 | 0 | 119.7 | ||||
| 559 | L | 38.5 | Very low | 39.3 | Very low | 150 Ų | 150 | 126.9 Ų | 126.9 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | 70.7 | 103.5 | 81.7 | -85.9 | 162.4 | 0 | 0 | 0 | 115 | |||||
| 560 | S | 40.8 | Very low | 39.2 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | -168.6 | 147.1 | 127.1 | -171.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 561 | M | 36.8 | Very low | 38.9 | Very low | 175 Ų | 175 | 130 Ų | 130 | 86% | 0.862 | 83% | 0.833 | S | S | * | * | trans | -69.3 | 148.9 | 163.2 | -61.2 | 170.6 | 171.4 | 0 | 0 | 110.5 | ||||
| 562 | S | 42.1 | Very low | 38.9 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | 167.2 | 167.6 | 115.9 | 59.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 563 | Q | 34.3 | Very low | 39.2 | Very low | 201 Ų | 201 | 132.4 Ų | 132.4 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | trans | -70.4 | 146.5 | -170.6 | -59.9 | 161.3 | 10 | 0 | 0 | 113.1 | ||||
| 564 | G | 37.4 | Very low | 39.2 | Very low | 78 Ų | 78 | 128.9 Ų | 128.9 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | 166.8 | 97.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 565 | A | 36.3 | Very low | 39 | Very low | 99 Ų | 99 | 129 Ų | 129 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -83.7 | 136.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 566 | V | 43.8 | Very low | 38.9 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -159.5 | 132.5 | 141.7 | -98.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 567 | A | 37.6 | Very low | 38.7 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | 41.8 | 106.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 568 | N | 37.3 | Very low | 38.8 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | -141.8 | 141.5 | 119.6 | -161.8 | -2.6 | 0 | 0 | 0 | 110.5 | |||||
| 569 | A | 34.2 | Very low | 39.2 | Very low | 84 Ų | 84 | 140.1 Ų | 140.1 | 69% | 0.694 | 82% | 0.817 | S | S | * | * | trans | -92.1 | 110 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 570 | N | 38 | Very low | 39.2 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | trans | -157.8 | 128.6 | 134.6 | -108.2 | -31.4 | 0 | 0 | 0 | 109.3 | ||||
| 571 | S | 36.1 | Very low | 39.4 | Very low | 114 Ų | 114 | 145.6 Ų | 145.6 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | -87.6 | 131.3 | -150.5 | 43.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 572 | T | 43.2 | Very low | 39.9 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | -151 | 132.7 | 153.8 | -33.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 573 | P | 45.6 | Very low | 40.8 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 75% | 0.747 | 82% | 0.815 | S | S | * | * | trans | -124.9 | 136.1 | 156.6 | 34.6 | -23.6 | 0 | 0 | 0 | 112 | ||||
| 574 | P | 40.2 | Very low | 41.6 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -100.4 | -157.7 | 174.4 | 45.5 | -38.3 | 0 | 0 | 0 | 109.9 | ||||
| 575 | P | 46 | Very low | 42 | Very low | 106 Ų | 106 | 147.2 Ų | 147.2 | 69% | 0.688 | 82% | 0.815 | S | S | * | * | -117 | 144 | -114.8 | 32.8 | -13.8 | 0 | 0 | 0 | 114.9 | |||||
| 576 | Y | 36.7 | Very low | 42.5 | Very low | 231 Ų | 231 | 147.3 Ų | 147.3 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | -141.8 | 152.3 | 167.1 | -85.4 | -77.1 | 0 | 0 | 0 | 114.2 | ||||
| 577 | E | 34.6 | Very low | 42.6 | Very low | 180 Ų | 180 | 146 Ų | 146 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | trans | -71.7 | 144.5 | -172.4 | -53.2 | 170.8 | 114.1 | 0 | 0 | 113.5 | ||||
| 578 | R | 41.7 | Very low | 43.1 | Very low | 237 Ų | 237 | 151.5 Ų | 151.5 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | trans | -168.3 | 113.4 | 137.6 | -107.3 | 163.8 | -171.5 | -133.2 | 1.5 | 113.5 | ||||
| 579 | T | 42.6 | Very low | 43.9 | Very low | 110 Ų | 110 | 148.9 Ų | 148.9 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | trans | 64.6 | 96.4 | 133.1 | -44.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 580 | R | 37 | Very low | 44.9 | Very low | 223 Ų | 223 | 148.4 Ų | 148.4 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | trans | 76.3 | 140 | 141.8 | -64.4 | 176.5 | -177.5 | -94.8 | -0.6 | 120.2 | ||||
| 581 | L | 46.5 | Very low | 46.1 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | 71.7 | 74.5 | 156.9 | -64.9 | 147.9 | 0 | 0 | 0 | 118.3 | ||||
| 582 | S | 46.7 | Very low | 46.7 | Very low | 113 Ų | 113 | 148.3 Ų | 148.3 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | 170.7 | 134.3 | 122.4 | -76.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 583 | P | 61.9 | Low | 47.5 | Very low | 125 Ų | 125 | 149.4 Ų | 149.4 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 133 | 179.2 | 28.7 | -32 | 0 | 0 | 0 | 112.1 | ||
| 584 | P | 50.6 | Low | 47.9 | Very low | 127 Ų | 127 | 149.4 Ų | 149.4 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 148.8 | 178.8 | 29.4 | -33.9 | 0 | 0 | 0 | 112.2 | ||
| 585 | R | 44.3 | Very low | 48.7 | Very low | 245 Ų | 245 | 146.3 Ų | 146.3 | 93% | 0.925 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 136.3 | -171.1 | -61.9 | 169.3 | 86 | 125.6 | -2.9 | 112.1 | S587 | R585-S587 PolarHBondContact O-N 2.82Š|
| 586 | A | 47.2 | Very low | 49.5 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 84% | 0.835 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 125.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 587 | S | 47.4 | Very low | 50.6 | Low | 119 Ų | 119 | 136.1 Ų | 136.1 | 83% | 0.832 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 144.9 | 173.3 | -164.6 | 0 | 0 | 0 | 0 | 110.4 | R585 D589 | R585-S587 PolarHBondContact O-N 2.82Å; S587-D589 PolarHBondContact O-N 2.71Å; S587-D589 VanDerWaalsContact O-N 3.1Å |
| 588 | Y | 46.8 | Very low | 51.5 | Low | 216 Ų | 216 | 132.9 Ų | 132.9 | 85% | 0.847 | 69% | 0.685 | S | S | * | * | trans | -67.8 | 103.9 | -164.3 | -148.1 | -105 | 0 | 0 | 0 | 111.7 | D590 | Y588-D590 PolarHBondContact O-N 3.02Å; Y588-D590 VanDerWaalsContact O-N 3.15Å | ||
| 589 | D | 53.7 | Low | 52.3 | Low | 108 Ų | 108 | 125.8 Ų | 125.8 | 58% | 0.578 | 67% | 0.672 | S | S | * | * | trans | -78.6 | 96.1 | 177.9 | -165.2 | -3.9 | 0 | 0 | 0 | 109.2 | S587 P591 K594 | S587-D589 PolarHBondContact O-N 2.71Å; S587-D589 VanDerWaalsContact O-N 3.1Å; D589-P591 WeakPolarHBondContact O-CD 3.42Å; D589-K594 IonicContact OD2-NZ 4Å; D589-K594 PolarHBondContact OD2-NZ 2.85Å | ||
| 590 | D | 56.3 | Low | 53.1 | Low | 74 Ų | 74 | 128.7 Ų | 128.7 | 40% | 0.396 | 68% | 0.675 | S | S | . | * | trans | -57.9 | 111.9 | -171 | -176.2 | 0.9 | 0 | 0 | 0 | 112.2 | Y588 Y592 K593 | Y588-D590 PolarHBondContact O-N 3.02Å; Y588-D590 VanDerWaalsContact O-N 3.15Å; D590-Y592 PolarHBondContact O-N 3.32Å; D590-K593 PolarHBondContact O-N 3.08Å | ||
| 591 | P | 61.9 | Low | 53.8 | Low | 87 Ų | 87 | 127.8 Ų | 127.8 | 57% | 0.565 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -61.8 | -24.4 | -169.2 | 23 | -33.3 | 0 | 0 | 0 | 113.2 | D589 K594 A595 | D589-P591 WeakPolarHBondContact O-CD 3.42Å; P591-K594 PolarHBondContact O-N 2.95Å; P591-A595 WeakPolarHBondContact O-CB 3.35Å; P591-A595 PolarHBondContact O-N 2.7Å |
| 592 | Y | 48.8 | Very low | 53.8 | Low | 189 Ų | 189 | 128.2 Ų | 128.2 | 74% | 0.741 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -67.4 | -37.5 | 176.2 | -107.2 | -91.8 | 0 | 0 | 0 | 113.2 | D590 A595 V596 | D590-Y592 PolarHBondContact O-N 3.32Å; Y592-A595 PolarHBondContact O-N 2.61Å; Y592-V596 WeakPolarHBondContact O-CG2 3.47Å; Y592-V596 PolarHBondContact O-N 3.41Å; Y592-V596 VanDerWaalsContact O-N 3.13Å |
| 593 | K | 60.4 | Low | 53.8 | Low | 155 Ų | 155 | 125.5 Ų | 125.5 | 67% | 0.674 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69.2 | -37.2 | 176.9 | -80.2 | 177 | 178.4 | 166.8 | 0 | 111.6 | D590 A597 | D590-K593 PolarHBondContact O-N 3.08Å; K593-A597 WeakPolarHBondContact O-CB 3.48Å; K593-A597 PolarHBondContact O-N 2.95Å |
| 594 | K | 55.3 | Low | 53.1 | Low | 115 Ų | 115 | 124.1 Ų | 124.1 | 50% | 0.5 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -67.6 | -40.3 | 176.8 | -141.8 | 162 | -168.6 | 157.2 | 0 | 111.6 | D589 P591 A597 M598 | D589-K594 IonicContact OD2-NZ 4Å; D589-K594 PolarHBondContact OD2-NZ 2.85Å; P591-K594 PolarHBondContact O-N 2.95Å; K594-A597 PolarHBondContact O-N 3.42Å; K594-M598 WeakPolarHBondContact O-CB 3.34Å; K594-M598 WeakPolarHBondContact O-CG 3.39Å; K594-M598 PolarHBondContact O-N 3.14Å |
| 595 | A | 56.4 | Low | 52.8 | Low | 51 Ų | 51 | 122.2 Ų | 122.2 | 42% | 0.421 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -62.3 | -45.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P591 Y592 A597 M598 S599 | P591-A595 WeakPolarHBondContact O-CB 3.35Å; P591-A595 PolarHBondContact O-N 2.7Å; Y592-A595 PolarHBondContact O-N 2.61Å; A595-A597 PolarHBondContact O-N 3.01Å; A595-M598 PolarHBondContact O-N 3.44Å; A595-S599 WeakPolarHBondContact O-CB 3.47Å; A595-S599 PolarHBondContact O-N 3.28Å; A595-S599 PolarHBondContact O-OG 3.41Å |
| 596 | V | 62.6 | Low | 53 | Low | 74 Ų | 74 | 121.6 Ų | 121.6 | 45% | 0.448 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.6 | -35.8 | 176.7 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | Y592 K600 | Y592-V596 WeakPolarHBondContact O-CG2 3.47Å; Y592-V596 PolarHBondContact O-N 3.41Å; Y592-V596 VanDerWaalsContact O-N 3.13Å; V596-K600 HydrophobicContact CG1-CD 4.27Å; V596-K600 WeakPolarHBondContact O-CB 3.47Å; V596-K600 WeakPolarHBondContact O-CG 3.47Å; V596-K600 PolarHBondContact O-N 2.94Å |
| 597 | A | 59 | Low | 52.8 | Low | 48 Ų | 48 | 127.2 Ų | 127.2 | 40% | 0.397 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.6 | -34.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K593 K594 A595 R601 | K593-A597 WeakPolarHBondContact O-CB 3.48Å; K593-A597 PolarHBondContact O-N 2.95Å; K594-A597 PolarHBondContact O-N 3.42Å; A595-A597 PolarHBondContact O-N 3.01Å; A597-R601 WeakPolarHBondContact O-CG 3.41Å; A597-R601 PolarHBondContact O-N 3.2Å |
| 598 | M | 53.5 | Low | 52.7 | Low | 113 Ų | 113 | 126.5 Ų | 126.5 | 56% | 0.557 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.8 | -46.6 | 172.6 | -76.1 | 175.5 | 113.4 | 0 | 0 | 111.5 | K594 A595 K600 R601 Y602 | K594-M598 WeakPolarHBondContact O-CB 3.34Å; K594-M598 WeakPolarHBondContact O-CG 3.39Å; K594-M598 PolarHBondContact O-N 3.14Å; A595-M598 PolarHBondContact O-N 3.44Å; M598-K600 PolarHBondContact O-N 2.85Å; M598-R601 PolarHBondContact O-N 3.11Å; M598-Y602 WeakPolarHBondContact O-CD2 3.33Å; M598-Y602 PolarHBondContact O-N 2.87Å |
| 599 | S | 59.8 | Low | 52.7 | Low | 87 Ų | 87 | 119.2 Ų | 119.2 | 61% | 0.608 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -59.3 | -29.4 | 175.3 | -73 | 0 | 0 | 0 | 0 | 113.2 | A595 G603 | A595-S599 WeakPolarHBondContact O-CB 3.47Å; A595-S599 PolarHBondContact O-N 3.28Å; A595-S599 PolarHBondContact O-OG 3.41Å; S599-G603 WeakPolarHBondContact O-CA 3.47Å; S599-G603 PolarHBondContact O-N 3.32Å |
| 600 | K | 57.8 | Low | 52.2 | Low | 172 Ų | 172 | 121.9 Ų | 121.9 | 75% | 0.748 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -80.4 | -17.7 | 173.4 | -72.7 | 179.5 | -178.9 | -177.4 | 0 | 114.5 | V596 M598 | V596-K600 HydrophobicContact CG1-CD 4.27Å; V596-K600 WeakPolarHBondContact O-CB 3.47Å; V596-K600 WeakPolarHBondContact O-CG 3.47Å; V596-K600 PolarHBondContact O-N 2.94Å; M598-K600 PolarHBondContact O-N 2.85Å |
| 601 | R | 52.4 | Low | 51.9 | Low | 204 Ų | 204 | 123.4 Ų | 123.4 | 77% | 0.77 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -90.5 | -24.8 | 172.7 | -70.7 | -174.2 | -162.7 | -123.6 | 7.6 | 113.6 | A597 M598 | A597-R601 WeakPolarHBondContact O-CG 3.41Å; A597-R601 PolarHBondContact O-N 3.2Å; M598-R601 PolarHBondContact O-N 3.11Å |
| 602 | Y | 47.2 | Very low | 51.2 | Low | 170 Ų | 170 | 123 Ų | 123 | 67% | 0.667 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -102.1 | -1 | 174.5 | -67.3 | -72.8 | 0 | 0 | 0 | 113.8 | M598 S604 D605 | M598-Y602 WeakPolarHBondContact O-CD2 3.33Å; M598-Y602 PolarHBondContact O-N 2.87Å; Y602-S604 PolarHBondContact O-N 3.06Å; Y602-D605 PolarHBondContact O-N 2.88Å |
| 603 | G | 46.7 | Very low | 51.1 | Low | 55 Ų | 55 | 119.6 Ų | 119.6 | 57% | 0.567 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -8.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | S599 | S599-G603 WeakPolarHBondContact O-CA 3.47Å; S599-G603 PolarHBondContact O-N 3.32Å |
| 604 | S | 47.1 | Very low | 50.1 | Low | 96 Ų | 96 | 120.9 Ų | 120.9 | 67% | 0.671 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -16.1 | 177.4 | 43 | 0 | 0 | 0 | 0 | 114.6 | Y602 R606 | Y602-S604 PolarHBondContact O-N 3.06Å; S604-R606 PolarHBondContact O-N 3.35Å |
| 605 | D | 44.8 | Very low | 50.1 | Low | 88 Ų | 88 | 125.9 Ų | 125.9 | 47% | 0.471 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -86.9 | 0.4 | -172.9 | -79.5 | -79.8 | 0 | 0 | 0 | 114.8 | Y602 R607 L608 | Y602-D605 PolarHBondContact O-N 2.88Å; D605-R607 PolarHBondContact O-N 3.5Å; D605-L608 PolarHBondContact O-N 3.29Å |
| 606 | R | 47.2 | Very low | 49.7 | Very low | 231 Ų | 231 | 133.7 Ų | 133.7 | 87% | 0.872 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -66.9 | 0.6 | 175.7 | -161.7 | 172.5 | -88.2 | -170.6 | -6 | 113.8 | S604 | S604-R606 PolarHBondContact O-N 3.35Š|
| 607 | R | 43.8 | Very low | 49 | Very low | 219 Ų | 219 | 136.1 Ų | 136.1 | 83% | 0.826 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -94.4 | 0 | 166.8 | -99.5 | -169.4 | 177.3 | -167.2 | -1.3 | 115.6 | D605 | D605-R607 PolarHBondContact O-N 3.5Š|
| 608 | L | 46 | Very low | 48.8 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 55% | 0.545 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -98.4 | -5.1 | 171.3 | -82.1 | 104.3 | 0 | 0 | 0 | 114.3 | D605 L611 | D605-L608 PolarHBondContact O-N 3.29Å; L608-L611 HydrophobicContact CG-CD1 4.39Å; L608-L611 PolarHBondContact O-N 3.32Å |
| 609 | A | 46.3 | Very low | 48.5 | Very low | 63 Ų | 63 | 141.7 Ų | 141.7 | 52% | 0.521 | 68% | 0.682 | S | S | . | * | G | 310 helix | trans | -65.7 | -40.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L611 S612 | A609-L611 PolarHBondContact O-N 2.81Å; A609-L611 VanDerWaalsContact O-N 3.15Å; A609-S612 WeakPolarHBondContact O-CB 3.46Å; A609-S612 PolarHBondContact O-N 3.3Å; A609-S612 VanDerWaalsContact O-N 3.12Å; A609-S612 PolarHBondContact O-OG 3.15Å |
| 610 | E | 43.1 | Very low | 47.7 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 77% | 0.766 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -71.5 | -0.4 | 176.3 | -66.2 | -174.1 | 159.6 | 0 | 0 | 114 | ||
| 611 | L | 50.4 | Low | 47.1 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 56% | 0.555 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -97.6 | 3.9 | 171.1 | -79.4 | 157.8 | 0 | 0 | 0 | 112.8 | L608 A609 Y614 | L608-L611 HydrophobicContact CG-CD1 4.39Å; L608-L611 PolarHBondContact O-N 3.32Å; A609-L611 PolarHBondContact O-N 2.81Å; A609-L611 VanDerWaalsContact O-N 3.15Å; L611-Y614 HydrophobicContact CD2-CD2 4.3Å |
| 612 | S | 47.5 | Very low | 46.7 | Very low | 78 Ų | 78 | 139.3 Ų | 139.3 | 55% | 0.545 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -78 | -22.7 | 179.8 | -54.6 | 0 | 0 | 0 | 0 | 113.8 | A609 Y614 R615 | A609-S612 WeakPolarHBondContact O-CB 3.46Å; A609-S612 PolarHBondContact O-N 3.3Å; A609-S612 VanDerWaalsContact O-N 3.12Å; A609-S612 PolarHBondContact O-OG 3.15Å; S612-Y614 PolarHBondContact O-N 2.93Å; S612-R615 PolarHBondContact O-N 3.5Å |
| 613 | D | 46.3 | Very low | 46.5 | Very low | 118 Ų | 118 | 136 Ų | 136 | 63% | 0.631 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -67.8 | -22.5 | -178.5 | -66.7 | -34.3 | 0 | 0 | 0 | 113.1 | R615 R616 | D613-R615 PolarHBondContact O-N 3.39Å; D613-R616 PolarHBondContact O-N 3.12Å |
| 614 | Y | 39.7 | Very low | 46.3 | Very low | 182 Ų | 182 | 142.7 Ų | 142.7 | 71% | 0.714 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -66.7 | -5.6 | 177.4 | -80.9 | -80.3 | 0 | 0 | 0 | 114.9 | L611 S612 L617 | L611-Y614 HydrophobicContact CD2-CD2 4.3Å; S612-Y614 PolarHBondContact O-N 2.93Å; Y614-L617 HydrophobicContact CD1-CD1 4.4Å |
| 615 | R | 54 | Low | 45.9 | Very low | 220 Ų | 220 | 149.5 Ų | 149.5 | 83% | 0.83 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -101.5 | -0.8 | 175.6 | -142.6 | -174.4 | -64.2 | 167.8 | 1.7 | 115 | S612 D613 | S612-R615 PolarHBondContact O-N 3.5Å; D613-R615 PolarHBondContact O-N 3.39Å |
| 616 | R | 49.2 | Very low | 45.6 | Very low | 215 Ų | 215 | 157.4 Ų | 157.4 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -100.8 | -0.7 | 174.3 | -83.1 | -174.6 | 167.7 | 177.2 | -3.4 | 114.7 | D613 S618 | D613-R616 PolarHBondContact O-N 3.12Å; R616-S618 VanDerWaalsContact C-N 3.35Å; R616-S618 PolarHBondContact O-N 3.36Å |
| 617 | L | 47.9 | Very low | 45.2 | Very low | 126 Ų | 126 | 151.5 Ų | 151.5 | 66% | 0.66 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -0.2 | -177.8 | -79.6 | 153.6 | 0 | 0 | 0 | 114.6 | Y614 | Y614-L617 HydrophobicContact CD1-CD1 4.4Š|
| 618 | S | 54.3 | Low | 45.2 | Very low | 106 Ų | 106 | 147.4 Ų | 147.4 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -9.6 | 179.9 | 52 | 0 | 0 | 0 | 0 | 115.3 | R616 | R616-S618 VanDerWaalsContact C-N 3.35Å; R616-S618 PolarHBondContact O-N 3.36Å |
| 619 | E | 47.4 | Very low | 45.1 | Very low | 172 Ų | 172 | 148.6 Ų | 148.6 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -114.7 | 0.8 | -176.3 | -67.1 | -178.5 | 131.5 | 0 | 0 | 113.7 | Q621 | E619-Q621 PolarHBondContact O-N 2.81Š|
| 620 | S | 43.2 | Very low | 44.9 | Very low | 98 Ų | 98 | 155.7 Ų | 155.7 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | -81.7 | 70.2 | 172 | -167.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 621 | Q | 44.6 | Very low | 45 | Very low | 161 Ų | 161 | 152.3 Ų | 152.3 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | trans | -66.5 | 144.2 | 156.5 | -83.3 | -76.9 | 14.8 | 0 | 0 | 109.2 | E619 | E619-Q621 PolarHBondContact O-N 2.81Š| ||
| 622 | L | 44.7 | Very low | 44.5 | Very low | 154 Ų | 154 | 153.1 Ų | 153.1 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 64.1 | 79.5 | 166 | -56.3 | 152.7 | 0 | 0 | 0 | 116.7 | ||
| 623 | S | 42.1 | Very low | 44.5 | Very low | 101 Ų | 101 | 156.4 Ų | 156.4 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | -171.8 | 122.1 | 130 | -86.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 624 | F | 42 | Very low | 44.3 | Very low | 195 Ų | 195 | 157.5 Ų | 157.5 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | 41.8 | 78.9 | 152.4 | -65 | -88.1 | 0 | 0 | 0 | 118 | ||||
| 625 | R | 39.8 | Very low | 44.2 | Very low | 239 Ų | 239 | 160.2 Ų | 160.2 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | 32.6 | 96.4 | 92.1 | -71.5 | -160.7 | 178.2 | -146.7 | 3.2 | 115.9 | |||||
| 626 | R | 37.4 | Very low | 43.9 | Very low | 253 Ų | 253 | 160.7 Ų | 160.7 | 96% | 0.955 | 80% | 0.802 | S | S | * | * | 168.3 | 95.3 | 120.7 | -94 | 174.4 | 172.5 | -111.4 | 2.5 | 112.8 | |||||
| 627 | S | 39.3 | Very low | 43.5 | Very low | 107 Ų | 107 | 161.9 Ų | 161.9 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -153.4 | 132.5 | 141.7 | 59 | 0 | 0 | 0 | 0 | 108.6 | T629 | S627-T629 PolarHBondContact O-N 3.35Š| ||
| 628 | P | 44.9 | Very low | 42.9 | Very low | 133 Ų | 133 | 164.1 Ų | 164.1 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -87.9 | 111.2 | -172.9 | 30.8 | -29.8 | 0 | 0 | 0 | 111.2 | ||||
| 629 | T | 43.9 | Very low | 42.5 | Very low | 129 Ų | 129 | 164.6 Ų | 164.6 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | -72.5 | 125.3 | 162 | 42.3 | 0 | 0 | 0 | 0 | 109.4 | S627 S631 | S627-T629 PolarHBondContact O-N 3.35Å; T629-S631 PolarHBondContact O-N 2.99Å; T629-S631 VanDerWaalsContact O-N 3.09Å | ||
| 630 | K | 40.7 | Very low | 42.1 | Very low | 212 Ų | 212 | 163.9 Ų | 163.9 | 92% | 0.922 | 82% | 0.821 | S | S | * | * | trans | -70.4 | 100.8 | 169.8 | -92.2 | -177.6 | 171.9 | 177.9 | 0 | 109.4 | ||||
| 631 | S | 46.4 | Very low | 42 | Very low | 93 Ų | 93 | 163 Ų | 163 | 65% | 0.65 | 82% | 0.819 | S | S | * | * | trans | -100.3 | 146.8 | 160.6 | 50.7 | 0 | 0 | 0 | 0 | 110.6 | T629 L633 | T629-S631 PolarHBondContact O-N 2.99Å; T629-S631 VanDerWaalsContact O-N 3.09Å; S631-L633 PolarHBondContact O-N 3.13Å | ||
| 632 | S | 39.5 | Very low | 41.8 | Very low | 123 Ų | 123 | 164.9 Ų | 164.9 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | 12.3 | 86.2 | 161 | -49.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 633 | L | 46.9 | Very low | 41.7 | Very low | 148 Ų | 148 | 162.5 Ų | 162.5 | 78% | 0.775 | 82% | 0.824 | S | S | * | * | trans | -90.3 | 123.6 | 166.9 | -95.4 | 163.4 | 0 | 0 | 0 | 111 | S631 Y635 | S631-L633 PolarHBondContact O-N 3.13Å; L633-Y635 PolarHBondContact O-N 3.49Å | ||
| 634 | D | 42.3 | Very low | 41.7 | Very low | 141 Ų | 141 | 165.3 Ų | 165.3 | 75% | 0.754 | 83% | 0.831 | S | S | * | * | trans | -50.6 | 122.1 | 171.3 | -88.9 | -77.7 | 0 | 0 | 0 | 113.1 | R636 | D634-R636 PolarHBondContact O-N 3.03Š| ||
| 635 | Y | 37.2 | Very low | 41.5 | Very low | 239 Ų | 239 | 167.4 Ų | 167.4 | 94% | 0.937 | 84% | 0.835 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 45.6 | 175.6 | -97.7 | -85.3 | 0 | 0 | 0 | 113.1 | L633 | L633-Y635 PolarHBondContact O-N 3.49Š|
| 636 | R | 47.7 | Very low | 41.4 | Very low | 229 Ų | 229 | 160.5 Ų | 160.5 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.4 | -5.5 | -174.2 | -85.3 | -171.4 | 175.5 | 162 | -0.4 | 118.6 | D634 | D634-R636 PolarHBondContact O-N 3.03Š|
| 637 | R | 40.8 | Very low | 41.6 | Very low | 240 Ų | 240 | 160 Ų | 160 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | trans | -143.9 | 114.6 | 168.8 | -74.5 | -170.9 | 171.4 | 165.5 | -3.8 | 112.6 | ||||
| 638 | L | 36.4 | Very low | 41.7 | Very low | 174 Ų | 174 | 166 Ų | 166 | 91% | 0.911 | 84% | 0.835 | S | S | * | * | trans | -75.7 | 144.4 | 153.2 | -73.5 | 160.4 | 0 | 0 | 0 | 108.2 | ||||
| 639 | P | 44.5 | Very low | 41.5 | Very low | 116 Ų | 116 | 165.6 Ų | 165.6 | 75% | 0.753 | 84% | 0.836 | S | S | * | * | -137.4 | 176.7 | 117.1 | 34.9 | -20.9 | 0 | 0 | 0 | 113.5 | |||||
| 640 | D | 39.5 | Very low | 41.2 | Very low | 156 Ų | 156 | 163 Ų | 163 | 83% | 0.834 | 83% | 0.834 | S | S | * | * | trans | -74.1 | 165.4 | -153 | -67.7 | -91.6 | 0 | 0 | 0 | 119.9 | ||||
| 641 | A | 40.7 | Very low | 41.3 | Very low | 80 Ų | 80 | 158.2 Ų | 158.2 | 66% | 0.661 | 83% | 0.827 | S | S | * | * | trans | 54.7 | 101.2 | 144.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 642 | H | 42 | Very low | 40.9 | Very low | 200 Ų | 200 | 164.7 Ų | 164.7 | 93% | 0.926 | 84% | 0.839 | S | S | * | * | -146.1 | 110.7 | 127 | -86.1 | -64.5 | 0 | 0 | 0 | 110.1 | |||||
| 643 | S | 41.4 | Very low | 41.2 | Very low | 105 Ų | 105 | 165.6 Ų | 165.6 | 73% | 0.734 | 83% | 0.834 | S | S | * | * | trans | -66.1 | 147.1 | 167.6 | -52.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 644 | D | 42.3 | Very low | 41.3 | Very low | 160 Ų | 160 | 165.1 Ų | 165.1 | 86% | 0.856 | 83% | 0.833 | S | S | * | * | trans | 162.9 | -15.1 | 143.2 | -84.7 | -19.2 | 0 | 0 | 0 | 114.8 | A646 | D644-A646 VanDerWaalsContact C-N 3.34Å; D644-A646 PolarHBondContact O-N 2.73Å | ||
| 645 | Y | 36.8 | Very low | 41.3 | Very low | 238 Ų | 238 | 169.3 Ų | 169.3 | 93% | 0.933 | 84% | 0.84 | S | S | * | * | trans | -85.6 | 15.8 | -172.1 | -111.1 | -81.9 | 0 | 0 | 0 | 117.1 | R647 | Y645-R647 PolarHBondContact O-N 3.46Š| ||
| 646 | A | 38.9 | Very low | 42 | Very low | 94 Ų | 94 | 165.4 Ų | 165.4 | 78% | 0.777 | 83% | 0.834 | S | S | * | * | trans | -100 | 67.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D644 | D644-A646 VanDerWaalsContact C-N 3.34Å; D644-A646 PolarHBondContact O-N 2.73Å | ||
| 647 | R | 42.3 | Very low | 41.8 | Very low | 243 Ų | 243 | 165.2 Ų | 165.2 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -142.1 | 4.1 | 171 | -85.1 | -152.6 | 179.3 | -165.3 | 2.2 | 119.1 | Y645 | Y645-R647 PolarHBondContact O-N 3.46Š|
| 648 | Y | 41.3 | Very low | 42.1 | Very low | 233 Ų | 233 | 159.1 Ų | 159.1 | 91% | 0.914 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -136.1 | 26.8 | -172.9 | -128 | -91.3 | 0 | 0 | 0 | 118 | ||
| 649 | S | 40.2 | Very low | 42.7 | Very low | 125 Ų | 125 | 155.3 Ų | 155.3 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -140.7 | 74 | 172.2 | 69.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 650 | G | 37 | Very low | 42.9 | Very low | 74 Ų | 74 | 157.9 Ų | 157.9 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | trans | -100.9 | 157.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 651 | S | 43.2 | Very low | 43.1 | Very low | 111 Ų | 111 | 158.4 Ų | 158.4 | 78% | 0.776 | 83% | 0.83 | S | S | * | * | S | Bend | trans | 80.8 | 33.6 | 164.5 | -162.4 | 0 | 0 | 0 | 0 | 120.3 | ||
| 652 | Y | 37.5 | Very low | 43.3 | Very low | 229 Ų | 229 | 164.4 Ų | 164.4 | 90% | 0.898 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -136.9 | 16.4 | 167.8 | -124.5 | -84.2 | 0 | 0 | 0 | 117.4 | ||
| 653 | N | 46.2 | Very low | 43.4 | Very low | 142 Ų | 142 | 160 Ų | 160 | 76% | 0.759 | 84% | 0.836 | S | S | * | * | trans | -127 | 2.7 | -173.9 | -95 | -45.2 | 0 | 0 | 0 | 117.2 | Y655 | N653-Y655 VanDerWaalsContact C-N 3.32Å; N653-Y655 PolarHBondContact O-N 3.02Å | ||
| 654 | D | 48.7 | Very low | 43.6 | Very low | 139 Ų | 139 | 158.9 Ų | 158.9 | 74% | 0.743 | 84% | 0.84 | S | S | * | * | G | 310 helix | trans | -68.7 | -20.8 | -174.6 | -80.6 | -83.3 | 0 | 0 | 0 | 115.8 | L656 | D654-L656 PolarHBondContact O-N 3.05Š|
| 655 | Y | 43.6 | Very low | 43.4 | Very low | 229 Ų | 229 | 160.7 Ų | 160.7 | 90% | 0.898 | 84% | 0.836 | S | S | * | * | G | 310 helix | trans | -86.4 | 5.1 | -169.2 | -70.1 | -71.5 | 0 | 0 | 0 | 116.6 | N653 | N653-Y655 VanDerWaalsContact C-N 3.32Å; N653-Y655 PolarHBondContact O-N 3.02Å |
| 656 | L | 51.7 | Low | 43.8 | Very low | 157 Ų | 157 | 157.7 Ų | 157.7 | 82% | 0.822 | 83% | 0.831 | S | S | * | * | G | 310 helix | trans | -121.1 | 0.1 | -176.2 | -84.8 | 169.5 | 0 | 0 | 0 | 116.3 | D654 | D654-L656 PolarHBondContact O-N 3.05Š|
| 657 | R | 42.3 | Very low | 43.7 | Very low | 224 Ų | 224 | 163.9 Ų | 163.9 | 85% | 0.845 | 83% | 0.834 | S | S | * | * | trans | -97.5 | 2.3 | -174.4 | -141.6 | 177.6 | -174.7 | 117.8 | 2.5 | 116.2 | A659 | R657-A659 VanDerWaalsContact C-N 3.28Å; R657-A659 PolarHBondContact O-N 3.1Å | ||
| 658 | A | 46.7 | Very low | 44 | Very low | 112 Ų | 112 | 162.9 Ų | 162.9 | 93% | 0.926 | 83% | 0.83 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 7.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 659 | A | 49.7 | Very low | 43.9 | Very low | 95 Ų | 95 | 164.3 Ų | 164.3 | 79% | 0.785 | 85% | 0.849 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | 2.7 | -170 | 0 | 0 | 0 | 0 | 0 | 115.9 | R657 | R657-A659 VanDerWaalsContact C-N 3.28Å; R657-A659 PolarHBondContact O-N 3.1Å |
| 660 | Q | 48.8 | Very low | 44.1 | Very low | 169 Ų | 169 | 166.3 Ų | 166.3 | 79% | 0.79 | 85% | 0.848 | S | S | * | * | trans | -144.9 | 89 | -179.6 | -82.4 | -177.1 | -38.7 | 0 | 0 | 111.6 | ||||
| 661 | M | 43.5 | Very low | 44.5 | Very low | 168 Ų | 168 | 171.2 Ų | 171.2 | 83% | 0.828 | 85% | 0.852 | S | S | * | * | trans | -173.8 | 71.6 | 148.2 | -83.9 | -35.1 | 161.3 | 0 | 0 | 110.2 | ||||
| 662 | H | 46.4 | Very low | 44.5 | Very low | 206 Ų | 206 | 174.5 Ų | 174.5 | 95% | 0.954 | 86% | 0.856 | S | S | * | * | trans | -152.6 | 75.7 | 159.4 | -86.1 | 105.1 | 0 | 0 | 0 | 108.8 | ||||
| 663 | S | 43.9 | Very low | 44.9 | Very low | 108 Ų | 108 | 171.3 Ų | 171.3 | 76% | 0.755 | 85% | 0.854 | S | S | * | * | trans | -130.9 | 72.7 | 166.4 | -162.4 | 0 | 0 | 0 | 0 | 108.3 | Y665 | S663-Y665 PolarHBondContact O-N 3.15Š| ||
| 664 | G | 45 | Very low | 44.9 | Very low | 81 Ų | 81 | 173.1 Ų | 173.1 | 84% | 0.835 | 86% | 0.86 | S | S | * | * | trans | -71.3 | 108 | 170 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q666 | G664-Q666 PolarHBondContact O-N 3.3Š| ||
| 665 | Y | 37.4 | Very low | 44.6 | Very low | 197 Ų | 197 | 175.4 Ų | 175.4 | 77% | 0.773 | 87% | 0.867 | S | S | * | * | trans | -62.7 | 123.8 | 172.8 | -104.6 | -109.5 | 0 | 0 | 0 | 110.9 | S663 | S663-Y665 PolarHBondContact O-N 3.15Š| ||
| 666 | Q | 44.7 | Very low | 44.7 | Very low | 175 Ų | 175 | 171.6 Ų | 171.6 | 82% | 0.818 | 87% | 0.865 | S | S | * | * | trans | -145.1 | 99.7 | 137.7 | -88.9 | -165.8 | -11.8 | 0 | 0 | 109.3 | G664 | G664-Q666 PolarHBondContact O-N 3.3Š| ||
| 667 | R | 38.4 | Very low | 44.1 | Very low | 224 Ų | 224 | 172.7 Ų | 172.7 | 85% | 0.845 | 87% | 0.869 | S | S | * | * | trans | -84.6 | 135.1 | 152.4 | -70.4 | -169.2 | -173.9 | -157.2 | 4.1 | 107.5 | ||||
| 668 | R | 47.2 | Very low | 44.3 | Very low | 222 Ų | 222 | 168.4 Ų | 168.4 | 84% | 0.838 | 87% | 0.87 | S | S | * | * | trans | -136.4 | 128.9 | 158 | -83.1 | -166.5 | 173.2 | -158.1 | -0.5 | 108.6 | ||||
| 669 | M | 40 | Very low | 44.1 | Very low | 264 Ų | 264 | 173.5 Ų | 173.5 | 100% | 1.3 | 87% | 0.865 | S | S | * | * | trans | 51.2 | 0 | 179.3 | -62 | -58 | -166 | 0 | 0 | 114.9 |
Retrieved 669 of 669 residues in 109.9 ms
(Link to these results)