| 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 | V | 90.9 | Very high | 90.1 | Very high | 44 Ų | 44 | 56.3 Ų | 56.3 | 27% | 0.267 | 28% | 0.275 | S | S | . | . | 0 | -77.7 | 0 | -173.9 | 0 | 0 | 0 | 0 | 112.7 | E3 F4 S5 I19 L22 A23 M197 | V1-E3 VanDerWaalsContact C-N 3.32Å; V1-E3 PolarHBondContact O-N 3.42Å; V1-E3 VanDerWaalsContact O-N 3.12Å; V1-F4 WeakPolarHBondContact O-CA 3.42Å; V1-F4 VanDerWaalsContact O-CB 3.23Å; V1-F4 WeakPolarHBondContact O-CB 3.43Å; V1-F4 PolarHBondContact O-N 3Å; V1-S5 PolarHBondContact O-N 3Å; V1-S5 PolarHBondContact O-OG 3.21Å; V1-I19 HydrophobicContact CG1-CD1 4.43Å; V1-I19 HydrophobicContact CG1-CG2 4.36Å; V1-L22 HydrophobicContact CG1-CB 3.59Å; V1-L22 HydrophobicContact CG1-CD1 4.14Å; V1-A23 HydrophobicContact CG2-CB 4.21Å; V1-M197 HydrophobicContact CG2-CE 4.22Å | |||
| 2 | T | 94 | Very high | 89.9 | Confident | 54 Ų | 54 | 59.8 Ų | 59.8 | 33% | 0.331 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -50.3 | -44.2 | -170.9 | -51.5 | 0 | 0 | 0 | 0 | 115 | K6 Y11 | T2-K6 WeakPolarHBondContact O-CG 3.46Å; T2-K6 PolarHBondContact O-N 2.96Å; T2-Y11 HydrophobicContact CG2-CD2 4.14Å; T2-Y11 HydrophobicContact CG2-CE2 3.67Å |
| 3 | E | 93.6 | Very high | 89.6 | Confident | 143 Ų | 143 | 57.8 Ų | 57.8 | 67% | 0.668 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -69.5 | -37.9 | 177.6 | -63.4 | 179.7 | 173.4 | 0 | 0 | 112.5 | V1 K6 K7 | V1-E3 VanDerWaalsContact C-N 3.32Å; V1-E3 PolarHBondContact O-N 3.42Å; V1-E3 VanDerWaalsContact O-N 3.12Å; E3-K6 WeakPolarHBondContact O-CB 3.49Å; E3-K6 PolarHBondContact O-N 3.07Å; E3-K7 WeakPolarHBondContact O-CG 3.47Å; E3-K7 PolarHBondContact O-N 3.49Å |
| 4 | F | 92.8 | Very high | 89.8 | Confident | 12 Ų | 12 | 54.9 Ų | 54.9 | 5% | 0.053 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.3 | -52.2 | 174.3 | -165.1 | -75.3 | 0 | 0 | 0 | 110.5 | V1 K6 K7 T8 K39 P42 V193 Q196 M197 | V1-F4 WeakPolarHBondContact O-CA 3.42Å; V1-F4 VanDerWaalsContact O-CB 3.23Å; V1-F4 WeakPolarHBondContact O-CB 3.43Å; V1-F4 PolarHBondContact O-N 3Å; F4-K6 PolarHBondContact O-N 3.39Å; F4-K6 VanDerWaalsContact O-N 3.17Å; F4-K7 WeakPolarHBondContact O-CA 3.44Å; F4-K7 WeakPolarHBondContact O-CB 3.46Å; F4-K7 PolarHBondContact O-N 3.34Å; F4-T8 HydrophobicContact CD1-CG2 3.65Å; F4-T8 HydrophobicContact CE1-CG2 3.49Å; F4-T8 VanDerWaalsContact CE1-CG2 3.49Å; F4-T8 WeakPolarHBondContact O-CG2 3.32Å; F4-T8 PolarHBondContact O-N 3.42Å; F4-K39 HydrophobicContact CE2-CB 4.4Å; F4-K39 VanDerWaalsContact CE2-O 3.31Å; F4-K39 WeakPolarHBondContact CE2-O 3.23Å; F4-P42 HydrophobicContact CE1-CB 4.02Å; F4-P42 HydrophobicContact CE1-CG 4.49Å; F4-P42 HydrophobicContact CE2-CB 4.28Å; F4-P42 HydrophobicContact CZ-CB 3.69Å; F4-P42 HydrophobicContact CZ-CG 4.3Å; F4-V193 HydrophobicContact CD1-CG1 4.25Å; F4-Q196 HydrophobicContact CE1-CB 3.71Å; F4-Q196 HydrophobicContact CZ-CB 3.91Å; F4-Q196 WeakPolarHBondContact CZ-O 3.07Å; F4-M197 HydrophobicContact CD1-CG 3.54Å; F4-M197 HydrophobicContact CD1-SD 4.14Å; F4-M197 HydrophobicContact CD2-CG 3.98Å; F4-M197 HydrophobicContact CE1-CB 4.47Å; F4-M197 HydrophobicContact CE1-CG 3.45Å; F4-M197 VanDerWaalsContact CE1-CG 3.45Å; F4-M197 HydrophobicContact CE2-CG 3.88Å; F4-M197 HydrophobicContact CG-CG 3.82Å; F4-M197 HydrophobicContact CG-SD 4.24Å; F4-M197 HydrophobicContact CZ-CB 4.38Å; F4-M197 HydrophobicContact CZ-CG 3.63Å |
| 5 | S | 91.9 | Very high | 90 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.3 | -25.1 | 176.7 | -47.6 | 0 | 0 | 0 | 0 | 113.6 | V1 T8 G9 D10 Y11 | V1-S5 PolarHBondContact O-N 3Å; V1-S5 PolarHBondContact O-OG 3.21Å; S5-T8 PolarHBondContact O-OG1 2.86Å; S5-G9 PolarHBondContact O-N 2.97Å; S5-G9 VanDerWaalsContact O-N 3.12Å; S5-D10 PolarHBondContact O-N 3.17Å; S5-D10 VanDerWaalsContact O-N 3.16Å; S5-Y11 WeakPolarHBondContact O-CB 3.44Å; S5-Y11 PolarHBondContact O-N 2.91Å |
| 6 | K | 90.6 | Very high | 90.3 | Very high | 117 Ų | 117 | 55.8 Ų | 55.8 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -74.1 | -36.5 | 171.5 | -74.3 | 172.1 | -178.7 | 176.8 | 0 | 111.7 | T2 E3 F4 G9 Y11 | T2-K6 WeakPolarHBondContact O-CG 3.46Å; T2-K6 PolarHBondContact O-N 2.96Å; E3-K6 WeakPolarHBondContact O-CB 3.49Å; E3-K6 PolarHBondContact O-N 3.07Å; F4-K6 PolarHBondContact O-N 3.39Å; F4-K6 VanDerWaalsContact O-N 3.17Å; K6-G9 PolarHBondContact O-N 3.45Å; K6-Y11 HydrophobicContact CG-CD1 3.93Å; K6-Y11 HydrophobicContact CG-CD2 4.25Å; K6-Y11 HydrophobicContact CG-CG 3.71Å |
| 7 | K | 88.8 | Confident | 90.7 | Very high | 98 Ų | 98 | 57.9 Ų | 57.9 | 43% | 0.426 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.2 | -40.8 | 174.6 | -68.7 | 174.7 | -175.9 | 175.2 | 0 | 112 | E3 F4 G9 E41 P42 | E3-K7 WeakPolarHBondContact O-CG 3.47Å; E3-K7 PolarHBondContact O-N 3.49Å; F4-K7 WeakPolarHBondContact O-CA 3.44Å; F4-K7 WeakPolarHBondContact O-CB 3.46Å; F4-K7 PolarHBondContact O-N 3.34Å; K7-G9 VanDerWaalsContact C-N 3.29Å; K7-G9 PolarHBondContact O-N 2.94Å; K7-E41 IonicContact NZ-OE1 2.71Å; K7-E41 PolarHBondContact NZ-OE1 3.33Å; K7-P42 HydrophobicContact CB-CG 3.7Å |
| 8 | T | 85.6 | Confident | 90.9 | Very high | 25 Ų | 25 | 56.2 Ų | 56.2 | 15% | 0.153 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.5 | -31.6 | 172.9 | 74.4 | 0 | 0 | 0 | 0 | 112.2 | F4 S5 D10 P42 V193 Q196 | F4-T8 HydrophobicContact CD1-CG2 3.65Å; F4-T8 HydrophobicContact CE1-CG2 3.49Å; F4-T8 VanDerWaalsContact CE1-CG2 3.49Å; F4-T8 WeakPolarHBondContact O-CG2 3.32Å; F4-T8 PolarHBondContact O-N 3.42Å; S5-T8 PolarHBondContact O-OG1 2.86Å; T8-D10 VanDerWaalsContact CB-OD2 3.24Å; T8-D10 WeakPolarHBondContact CB-OD2 3.4Å; T8-D10 PolarHBondContact OG1-N 3.16Å; T8-D10 PolarHBondContact OG1-OD2 2.92Å; T8-P42 HydrophobicContact CG2-CB 4.14Å; T8-P42 HydrophobicContact CG2-CG 4.3Å; T8-V193 HydrophobicContact CG2-CG2 4.46Å; T8-Q196 HydrophobicContact CG2-CB 4.47Å |
| 9 | G | 84.6 | Confident | 91.2 | Very high | 16 Ų | 16 | 54.6 Ų | 54.6 | 17% | 0.165 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | 2.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S5 K6 K7 P12 | S5-G9 PolarHBondContact O-N 2.97Å; S5-G9 VanDerWaalsContact O-N 3.12Å; K6-G9 PolarHBondContact O-N 3.45Å; K7-G9 VanDerWaalsContact C-N 3.29Å; K7-G9 PolarHBondContact O-N 2.94Å; G9-P12 VanDerWaalsContact O-CD 3.24Å; G9-P12 WeakPolarHBondContact O-CD 3.35Å |
| 10 | D | 87.9 | Confident | 91.5 | Very high | 13 Ų | 13 | 59.4 Ų | 59.4 | 7% | 0.07 | 32% | 0.322 | C | S | . | . | trans | -82.2 | -15.3 | 178.9 | -60.1 | -75.9 | 0 | 0 | 0 | 113.3 | S5 T8 P12 S13 L14 A189 N192 V193 | S5-D10 PolarHBondContact O-N 3.17Å; S5-D10 VanDerWaalsContact O-N 3.16Å; T8-D10 VanDerWaalsContact CB-OD2 3.24Å; T8-D10 WeakPolarHBondContact CB-OD2 3.4Å; T8-D10 PolarHBondContact OG1-N 3.16Å; T8-D10 PolarHBondContact OG1-OD2 2.92Å; D10-P12 VanDerWaalsContact C-N 3.32Å; D10-P12 VanDerWaalsContact O-N 3.14Å; D10-S13 PolarHBondContact O-N 2.93Å; D10-S13 PolarHBondContact O-OG 3.33Å; D10-L14 HydrophobicContact CB-CD1 4.48Å; D10-L14 PolarHBondContact O-N 3.23Å; D10-A189 HydrophobicContact CB-CB 4.21Å; D10-N192 PolarHBondContact OD1-ND2 3.1Å; D10-V193 HydrophobicContact CB-CG2 3.83Å | ||
| 11 | Y | 90.8 | Very high | 91.7 | Very high | 97 Ų | 97 | 59.5 Ų | 59.5 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -47.5 | -41.3 | 179 | 179.8 | -100 | 0 | 0 | 0 | 115.1 | T2 S5 K6 S13 L14 I19 | T2-Y11 HydrophobicContact CG2-CD2 4.14Å; T2-Y11 HydrophobicContact CG2-CE2 3.67Å; S5-Y11 WeakPolarHBondContact O-CB 3.44Å; S5-Y11 PolarHBondContact O-N 2.91Å; K6-Y11 HydrophobicContact CG-CD1 3.93Å; K6-Y11 HydrophobicContact CG-CD2 4.25Å; K6-Y11 HydrophobicContact CG-CG 3.71Å; Y11-S13 PolarHBondContact O-N 3.19Å; Y11-L14 PolarHBondContact O-N 2.94Å; Y11-L14 VanDerWaalsContact O-N 3.16Å; Y11-I19 HydrophobicContact CD2-CD1 4.09Å; Y11-I19 HydrophobicContact CE2-CD1 4.34Å |
| 12 | P | 87.7 | Confident | 92 | Very high | 99 Ų | 99 | 57.5 Ų | 57.5 | 64% | 0.643 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -69.2 | -11.1 | 179.6 | -19.4 | 34.2 | 0 | 0 | 0 | 115.8 | G9 D10 | G9-P12 VanDerWaalsContact O-CD 3.24Å; G9-P12 WeakPolarHBondContact O-CD 3.35Å; D10-P12 VanDerWaalsContact C-N 3.32Å; D10-P12 VanDerWaalsContact O-N 3.14Å |
| 13 | S | 86.2 | Confident | 92.1 | Very high | 33 Ų | 33 | 56.9 Ų | 56.9 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -98 | -16.5 | 170.3 | 47.7 | 0 | 0 | 0 | 0 | 113.7 | D10 Y11 A189 S227 | D10-S13 PolarHBondContact O-N 2.93Å; D10-S13 PolarHBondContact O-OG 3.33Å; Y11-S13 PolarHBondContact O-N 3.19Å; S13-A189 VanDerWaalsContact OG-CB 3.22Å; S13-A189 WeakPolarHBondContact OG-CB 3.41Å; S13-S227 WeakPolarHBondContact CB-OG 3.29Å; S13-S227 PolarHBondContact OG-OG 2.99Å |
| 14 | L | 91.4 | Very high | 92.2 | Very high | 18 Ų | 18 | 54.5 Ų | 54.5 | 9% | 0.094 | 31% | 0.305 | C | S | . | . | trans | -84.1 | 132.8 | -177.5 | -65.5 | 170.4 | 0 | 0 | 0 | 110.8 | D10 Y11 D18 I19 L22 A189 M190 V193 | D10-L14 HydrophobicContact CB-CD1 4.48Å; D10-L14 PolarHBondContact O-N 3.23Å; Y11-L14 PolarHBondContact O-N 2.94Å; Y11-L14 VanDerWaalsContact O-N 3.16Å; L14-D18 HydrophobicContact CB-CB 4.34Å; L14-D18 HydrophobicContact CD2-CB 3.87Å; L14-I19 HydrophobicContact CB-CD1 4.04Å; L14-I19 HydrophobicContact CB-CG1 4.28Å; L14-I19 HydrophobicContact CD1-CD1 3.86Å; L14-L22 HydrophobicContact CD1-CD1 3.9Å; L14-L22 HydrophobicContact CD2-CD1 4.41Å; L14-A189 HydrophobicContact CD2-CB 3.92Å; L14-A189 HydrophobicContact CG-CB 4.34Å; L14-M190 HydrophobicContact CD2-CG 3.69Å; L14-V193 HydrophobicContact CD1-CG2 4.27Å | ||
| 15 | S | 93.4 | Very high | 92.3 | Very high | 46 Ų | 46 | 54.6 Ų | 54.6 | 32% | 0.322 | 31% | 0.306 | S | S | . | . | trans | -81.8 | 168.5 | 172.6 | 74.3 | 0 | 0 | 0 | 0 | 111.9 | T17 D18 I19 | S15-T17 PolarHBondContact O-N 3.43Å; S15-T17 PolarHBondContact OG-N 2.96Å; S15-T17 PolarHBondContact OG-OG1 2.89Å; S15-D18 WeakPolarHBondContact CA-OD2 3.45Å; S15-D18 VanDerWaalsContact CB-OD2 3.24Å; S15-D18 WeakPolarHBondContact CB-OD2 3.45Å; S15-D18 PolarHBondContact N-OD2 3.36Å; S15-D18 PolarHBondContact O-N 3.28Å; S15-D18 VanDerWaalsContact O-N 3.16Å; S15-D18 PolarHBondContact OG-N 3.28Å; S15-D18 PolarHBondContact OG-OD1 3.03Å; S15-D18 PolarHBondContact OG-OD2 3.22Å; S15-I19 WeakPolarHBondContact O-CG1 3.39Å; S15-I19 PolarHBondContact O-N 2.93Å; S15-I19 VanDerWaalsContact O-N 3.14Å | ||
| 16 | A | 94.9 | Very high | 92.5 | Very high | 78 Ų | 78 | 58.2 Ų | 58.2 | 65% | 0.645 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.7 | -24.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K20 | A16-K20 WeakPolarHBondContact O-CG 3.42Å |
| 17 | T | 96.2 | Very high | 92.7 | Very high | 91 Ų | 91 | 58.3 Ų | 58.3 | 56% | 0.558 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -75.6 | -41.1 | 172.2 | 34 | 0 | 0 | 0 | 0 | 111.5 | S15 I19 K20 V21 | S15-T17 PolarHBondContact O-N 3.43Å; S15-T17 PolarHBondContact OG-N 2.96Å; S15-T17 PolarHBondContact OG-OG1 2.89Å; T17-I19 PolarHBondContact O-N 3.05Å; T17-K20 WeakPolarHBondContact O-CA 3.5Å; T17-K20 WeakPolarHBondContact O-CB 3.42Å; T17-K20 PolarHBondContact O-N 2.9Å; T17-V21 PolarHBondContact O-N 3.17Å |
| 18 | D | 95.8 | Very high | 93 | Very high | 28 Ų | 28 | 56.4 Ų | 56.4 | 15% | 0.15 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.2 | -42.5 | -179.1 | -48.7 | -31.3 | 0 | 0 | 0 | 110.8 | L14 S15 K20 V21 L22 M190 | L14-D18 HydrophobicContact CB-CB 4.34Å; L14-D18 HydrophobicContact CD2-CB 3.87Å; S15-D18 WeakPolarHBondContact CA-OD2 3.45Å; S15-D18 VanDerWaalsContact CB-OD2 3.24Å; S15-D18 WeakPolarHBondContact CB-OD2 3.45Å; S15-D18 PolarHBondContact N-OD2 3.36Å; S15-D18 PolarHBondContact O-N 3.28Å; S15-D18 VanDerWaalsContact O-N 3.16Å; S15-D18 PolarHBondContact OG-N 3.28Å; S15-D18 PolarHBondContact OG-OD1 3.03Å; S15-D18 PolarHBondContact OG-OD2 3.22Å; D18-K20 PolarHBondContact O-N 3.11Å; D18-V21 PolarHBondContact O-N 3.33Å; D18-V21 VanDerWaalsContact O-N 3.17Å; D18-L22 WeakPolarHBondContact O-CB 3.32Å; D18-L22 VanDerWaalsContact O-CG 3.26Å; D18-L22 WeakPolarHBondContact O-CG 3.39Å; D18-L22 PolarHBondContact O-N 3.29Å; D18-M190 HydrophobicContact CB-CE 4.1Å; D18-M190 HydrophobicContact CB-CG 4.01Å; D18-M190 HydrophobicContact CB-SD 3.81Å; D18-M190 WeakPolarHBondContact OD1-CE 3.42Å |
| 19 | I | 96 | Very high | 93.4 | Very high | 26 Ų | 26 | 55.3 Ų | 55.3 | 13% | 0.133 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.8 | -34 | 174.2 | -62.4 | -66.6 | 0 | 0 | 0 | 112 | V1 Y11 L14 S15 T17 L22 A23 | V1-I19 HydrophobicContact CG1-CD1 4.43Å; V1-I19 HydrophobicContact CG1-CG2 4.36Å; Y11-I19 HydrophobicContact CD2-CD1 4.09Å; Y11-I19 HydrophobicContact CE2-CD1 4.34Å; L14-I19 HydrophobicContact CB-CD1 4.04Å; L14-I19 HydrophobicContact CB-CG1 4.28Å; L14-I19 HydrophobicContact CD1-CD1 3.86Å; S15-I19 WeakPolarHBondContact O-CG1 3.39Å; S15-I19 PolarHBondContact O-N 2.93Å; S15-I19 VanDerWaalsContact O-N 3.14Å; T17-I19 PolarHBondContact O-N 3.05Å; I19-L22 HydrophobicContact CD1-CD1 4.46Å; I19-A23 WeakPolarHBondContact O-CB 3.47Å; I19-A23 PolarHBondContact O-N 3.14Å |
| 20 | K | 96.7 | Very high | 93.9 | Very high | 150 Ų | 150 | 58.1 Ų | 58.1 | 65% | 0.652 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -72 | -41.1 | 175.1 | -71.6 | 173.6 | -178.1 | -174.5 | 0 | 112.1 | A16 T17 D18 A23 L24 | A16-K20 WeakPolarHBondContact O-CG 3.42Å; T17-K20 WeakPolarHBondContact O-CA 3.5Å; T17-K20 WeakPolarHBondContact O-CB 3.42Å; T17-K20 PolarHBondContact O-N 2.9Å; D18-K20 PolarHBondContact O-N 3.11Å; K20-A23 PolarHBondContact O-N 3.18Å; K20-L24 WeakPolarHBondContact O-CB 3.45Å; K20-L24 PolarHBondContact O-N 3.42Å |
| 21 | V | 96.6 | Very high | 94.2 | Very high | 62 Ų | 62 | 63.5 Ų | 63.5 | 38% | 0.376 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 175.2 | 174 | 0 | 0 | 0 | 0 | 110.1 | T17 D18 A23 L24 T25 | T17-V21 PolarHBondContact O-N 3.17Å; D18-V21 PolarHBondContact O-N 3.33Å; D18-V21 VanDerWaalsContact O-N 3.17Å; V21-A23 VanDerWaalsContact C-N 3.29Å; V21-A23 PolarHBondContact O-N 2.93Å; V21-L24 PolarHBondContact O-N 2.87Å; V21-T25 WeakPolarHBondContact O-CG2 3.48Å; V21-T25 PolarHBondContact O-N 2.86Å; V21-T25 PolarHBondContact O-OG1 2.88Å |
| 22 | L | 96 | Very high | 94.3 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.3 | -38.6 | 175.2 | -67.4 | 173 | 0 | 0 | 0 | 112.7 | V1 L14 D18 I19 T25 Y26 M190 V193 L194 | V1-L22 HydrophobicContact CG1-CB 3.59Å; V1-L22 HydrophobicContact CG1-CD1 4.14Å; L14-L22 HydrophobicContact CD1-CD1 3.9Å; L14-L22 HydrophobicContact CD2-CD1 4.41Å; D18-L22 WeakPolarHBondContact O-CB 3.32Å; D18-L22 VanDerWaalsContact O-CG 3.26Å; D18-L22 WeakPolarHBondContact O-CG 3.39Å; D18-L22 PolarHBondContact O-N 3.29Å; I19-L22 HydrophobicContact CD1-CD1 4.46Å; L22-T25 WeakPolarHBondContact CA-OG1 3.27Å; L22-T25 PolarHBondContact O-OG1 3.44Å; L22-Y26 WeakPolarHBondContact O-CB 3.38Å; L22-Y26 PolarHBondContact O-N 3.12Å; L22-Y26 VanDerWaalsContact O-N 3.14Å; L22-M190 HydrophobicContact CD2-CB 4.37Å; L22-V193 HydrophobicContact CD1-CG1 4.16Å; L22-V193 HydrophobicContact CD2-CG1 4.48Å; L22-L194 HydrophobicContact CD2-CD1 3.89Å; L22-L194 HydrophobicContact CD2-CD2 3.57Å; L22-L194 HydrophobicContact CD2-CG 3.44Å; L22-L194 VanDerWaalsContact CD2-CG 3.44Å |
| 23 | A | 96.3 | Very high | 94.4 | Very high | 42 Ų | 42 | 60.7 Ų | 60.7 | 35% | 0.347 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.4 | -41.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1 I19 K20 V21 Y26 Q27 | V1-A23 HydrophobicContact CG2-CB 4.21Å; I19-A23 WeakPolarHBondContact O-CB 3.47Å; I19-A23 PolarHBondContact O-N 3.14Å; K20-A23 PolarHBondContact O-N 3.18Å; V21-A23 VanDerWaalsContact C-N 3.29Å; V21-A23 PolarHBondContact O-N 2.93Å; A23-Y26 PolarHBondContact O-N 3.15Å; A23-Q27 PolarHBondContact O-N 3.06Å |
| 24 | L | 96.2 | Very high | 94.6 | Very high | 93 Ų | 93 | 60 Ų | 60 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 175.9 | 179.2 | 61.8 | 0 | 0 | 0 | 111.4 | K20 V21 Y26 Q27 L28 | K20-L24 WeakPolarHBondContact O-CB 3.45Å; K20-L24 PolarHBondContact O-N 3.42Å; V21-L24 PolarHBondContact O-N 2.87Å; L24-Y26 VanDerWaalsContact C-N 3.3Å; L24-Y26 PolarHBondContact O-N 3.5Å; L24-Q27 PolarHBondContact O-N 3.16Å; L24-L28 HydrophobicContact CD1-CD1 4.32Å; L24-L28 HydrophobicContact CD1-CG 4.34Å; L24-L28 HydrophobicContact CG-CD1 4.23Å; L24-L28 WeakPolarHBondContact O-CG 3.47Å; L24-L28 PolarHBondContact O-N 2.89Å |
| 25 | T | 95.1 | Very high | 94.5 | Very high | 14 Ų | 14 | 62.9 Ų | 62.9 | 9% | 0.086 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.8 | -36.5 | 178.1 | 54.7 | 0 | 0 | 0 | 0 | 111.9 | V21 L22 Q29 C183 | V21-T25 WeakPolarHBondContact O-CG2 3.48Å; V21-T25 PolarHBondContact O-N 2.86Å; V21-T25 PolarHBondContact O-OG1 2.88Å; L22-T25 WeakPolarHBondContact CA-OG1 3.27Å; L22-T25 PolarHBondContact O-OG1 3.44Å; T25-Q29 WeakPolarHBondContact O-CB 3.48Å; T25-Q29 PolarHBondContact O-N 3.3Å; T25-Q29 VanDerWaalsContact O-N 3.07Å; T25-C183 HydrophobicContact CG2-CB 3.66Å |
| 26 | Y | 95.3 | Very high | 94.1 | Very high | 76 Ų | 76 | 69.1 Ų | 69.1 | 30% | 0.298 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.1 | -39.9 | 173.8 | -176.7 | -97.6 | 0 | 0 | 0 | 112.4 | L22 A23 L24 Q29 L30 L38 M197 L199 | L22-Y26 WeakPolarHBondContact O-CB 3.38Å; L22-Y26 PolarHBondContact O-N 3.12Å; L22-Y26 VanDerWaalsContact O-N 3.14Å; A23-Y26 PolarHBondContact O-N 3.15Å; L24-Y26 VanDerWaalsContact C-N 3.3Å; L24-Y26 PolarHBondContact O-N 3.5Å; Y26-Q29 PolarHBondContact O-N 3.16Å; Y26-L30 HydrophobicContact CD1-CD1 3.97Å; Y26-L30 HydrophobicContact CE1-CD1 3.48Å; Y26-L30 VanDerWaalsContact CE1-CD1 3.48Å; Y26-L30 HydrophobicContact CE1-CG 4.29Å; Y26-L30 WeakPolarHBondContact O-CG 3.26Å; Y26-L30 PolarHBondContact O-N 3.26Å; Y26-L30 VanDerWaalsContact O-N 3.16Å; Y26-L38 HydrophobicContact CD2-CD1 3.91Å; Y26-L38 HydrophobicContact CD2-CD2 3.93Å; Y26-L38 HydrophobicContact CE2-CB 4.35Å; Y26-L38 HydrophobicContact CE2-CD1 3.55Å; Y26-L38 HydrophobicContact CE2-CD2 3.94Å; Y26-L38 HydrophobicContact CE2-CG 4.16Å; Y26-M197 HydrophobicContact CD2-CE 3.24Å; Y26-M197 HydrophobicContact CE2-CE 3.75Å; Y26-M197 HydrophobicContact CG-CE 3.99Å; Y26-L199 HydrophobicContact CD2-CD1 4.38Å |
| 27 | Q | 95.5 | Very high | 93.6 | Very high | 118 Ų | 118 | 70 Ų | 70 | 55% | 0.551 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.8 | -49.1 | 175.3 | -178.9 | -178.3 | -32.8 | 0 | 0 | 111.6 | A23 L24 Q29 L30 E31 | A23-Q27 PolarHBondContact O-N 3.06Å; L24-Q27 PolarHBondContact O-N 3.16Å; Q27-Q29 VanDerWaalsContact C-N 3.31Å; Q27-Q29 PolarHBondContact O-N 2.85Å; Q27-L30 PolarHBondContact O-N 2.61Å; Q27-L30 VanDerWaalsContact O-N 3.17Å; Q27-E31 PolarHBondContact O-N 3.14Å |
| 28 | L | 95.2 | Very high | 93.2 | Very high | 58 Ų | 58 | 66.9 Ų | 66.9 | 30% | 0.304 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.4 | -35.8 | 179.3 | -67.8 | 172.8 | 0 | 0 | 0 | 112.3 | L24 E31 H32 V181 | L24-L28 HydrophobicContact CD1-CD1 4.32Å; L24-L28 HydrophobicContact CD1-CG 4.34Å; L24-L28 HydrophobicContact CG-CD1 4.23Å; L24-L28 WeakPolarHBondContact O-CG 3.47Å; L24-L28 PolarHBondContact O-N 2.89Å; L28-E31 PolarHBondContact O-N 3.5Å; L28-H32 PolarHBondContact O-N 2.96Å; L28-V181 HydrophobicContact CB-CG1 3.95Å; L28-V181 HydrophobicContact CB-CG2 4.48Å |
| 29 | Q | 94 | Very high | 92.8 | Very high | 3 Ų | 3 | 68.4 Ų | 68.4 | 1% | 0.014 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 173.4 | -179.1 | 69.9 | 12.9 | 0 | 0 | 111.2 | T25 Y26 Q27 E31 V33 G34 L38 V181 L199 | T25-Q29 WeakPolarHBondContact O-CB 3.48Å; T25-Q29 PolarHBondContact O-N 3.3Å; T25-Q29 VanDerWaalsContact O-N 3.07Å; Y26-Q29 PolarHBondContact O-N 3.16Å; Q27-Q29 VanDerWaalsContact C-N 3.31Å; Q27-Q29 PolarHBondContact O-N 2.85Å; Q29-E31 VanDerWaalsContact C-N 3.31Å; Q29-E31 PolarHBondContact O-N 3.46Å; Q29-V33 CarbonylContact O-C 3.56Å; Q29-V33 WeakPolarHBondContact O-CA 3.47Å; Q29-V33 WeakPolarHBondContact O-CB 3.3Å; Q29-V33 PolarHBondContact O-N 2.96Å; Q29-G34 PolarHBondContact O-N 3.12Å; Q29-L38 HydrophobicContact CB-CD1 4.39Å; Q29-L38 HydrophobicContact CG-CD1 3.79Å; Q29-L38 HydrophobicContact CG-CD2 4.14Å; Q29-L38 HydrophobicContact CG-CG 4.05Å; Q29-V181 HydrophobicContact CB-CG1 4.39Å; Q29-L199 HydrophobicContact CB-CD2 3.56Å; Q29-L199 HydrophobicContact CG-CD2 3.65Å |
| 30 | L | 94.1 | Very high | 92.2 | Very high | 74 Ų | 74 | 71.5 Ų | 71.5 | 39% | 0.387 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 177.4 | -71.6 | 175.9 | 0 | 0 | 0 | 112.6 | Y26 Q27 L38 | Y26-L30 HydrophobicContact CD1-CD1 3.97Å; Y26-L30 HydrophobicContact CE1-CD1 3.48Å; Y26-L30 VanDerWaalsContact CE1-CD1 3.48Å; Y26-L30 HydrophobicContact CE1-CG 4.29Å; Y26-L30 WeakPolarHBondContact O-CG 3.26Å; Y26-L30 PolarHBondContact O-N 3.26Å; Y26-L30 VanDerWaalsContact O-N 3.16Å; Q27-L30 PolarHBondContact O-N 2.61Å; Q27-L30 VanDerWaalsContact O-N 3.17Å; L30-L38 HydrophobicContact CD2-CD1 3.69Å; L30-L38 HydrophobicContact CG-CD1 4.05Å |
| 31 | E | 95.1 | Very high | 91.7 | Very high | 126 Ų | 126 | 70.4 Ų | 70.4 | 59% | 0.589 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -73.2 | -39.3 | -178.9 | -169.3 | 179.1 | 151 | 0 | 0 | 113.4 | Q27 L28 Q29 | Q27-E31 PolarHBondContact O-N 3.14Å; L28-E31 PolarHBondContact O-N 3.5Å; Q29-E31 VanDerWaalsContact C-N 3.31Å; Q29-E31 PolarHBondContact O-N 3.46Å |
| 32 | H | 92.8 | Very high | 91.1 | Very high | 75 Ų | 75 | 68.1 Ų | 68.1 | 35% | 0.347 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -107.5 | -16.8 | -170.7 | -61.8 | -28.8 | 0 | 0 | 0 | 115.5 | L28 R180 V181 | L28-H32 PolarHBondContact O-N 2.96Å; H32-R180 HydrophobicContact CB-CG 4.47Å; H32-R180 PolarHBondContact O-NH1 2.98Å; H32-V181 HydrophobicContact CB-CG2 3.96Å |
| 33 | V | 90.5 | Very high | 90.2 | Very high | 62 Ų | 62 | 71 Ų | 71 | 38% | 0.376 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.4 | -34.7 | -175.8 | -170.6 | 0 | 0 | 0 | 0 | 111.9 | Q29 R180 V181 | Q29-V33 CarbonylContact O-C 3.56Å; Q29-V33 WeakPolarHBondContact O-CA 3.47Å; Q29-V33 WeakPolarHBondContact O-CB 3.3Å; Q29-V33 PolarHBondContact O-N 2.96Å; V33-R180 HydrophobicContact CG2-CB 4.39Å; V33-V181 HydrophobicContact CG2-CG2 4.26Å |
| 34 | G | 90.6 | Very high | 88.9 | Confident | 20 Ų | 20 | 74.6 Ų | 74.6 | 21% | 0.206 | 40% | 0.395 | C | S | . | . | trans | 94.2 | -175.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q29 | Q29-G34 PolarHBondContact O-N 3.12Š| ||
| 35 | S | 89.5 | Confident | 87.9 | Confident | 78 Ų | 78 | 76 Ų | 76 | 55% | 0.545 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -86.2 | -2.5 | -169.9 | 55.3 | 0 | 0 | 0 | 0 | 116 | N37 L38 | S35-N37 VanDerWaalsContact C-N 3.31Å; S35-N37 PolarHBondContact O-N 2.89Å; S35-L38 PolarHBondContact O-N 2.88Å; S35-L38 VanDerWaalsContact O-N 3.11Å |
| 36 | Q | 85 | Confident | 87.3 | Confident | 176 Ų | 176 | 78.6 Ų | 78.6 | 82% | 0.822 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -34.8 | -165.7 | -55.3 | -172.3 | 53.9 | 0 | 0 | 113.9 | ||
| 37 | N | 82.8 | Confident | 87 | Confident | 98 Ų | 98 | 78.2 Ų | 78.2 | 52% | 0.524 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -0.4 | -178 | -60.5 | -10 | 0 | 0 | 0 | 113.1 | S35 | S35-N37 VanDerWaalsContact C-N 3.31Å; S35-N37 PolarHBondContact O-N 2.89Å |
| 38 | L | 88.4 | Confident | 86.7 | Confident | 25 Ų | 25 | 78.5 Ų | 78.5 | 13% | 0.131 | 42% | 0.423 | C | S | . | . | trans | -92.5 | 131.5 | -171.4 | -75.7 | 172.4 | 0 | 0 | 0 | 112.1 | Y26 Q29 L30 S35 M197 L199 | Y26-L38 HydrophobicContact CD2-CD1 3.91Å; Y26-L38 HydrophobicContact CD2-CD2 3.93Å; Y26-L38 HydrophobicContact CE2-CB 4.35Å; Y26-L38 HydrophobicContact CE2-CD1 3.55Å; Y26-L38 HydrophobicContact CE2-CD2 3.94Å; Y26-L38 HydrophobicContact CE2-CG 4.16Å; Q29-L38 HydrophobicContact CB-CD1 4.39Å; Q29-L38 HydrophobicContact CG-CD1 3.79Å; Q29-L38 HydrophobicContact CG-CD2 4.14Å; Q29-L38 HydrophobicContact CG-CG 4.05Å; L30-L38 HydrophobicContact CD2-CD1 3.69Å; L30-L38 HydrophobicContact CG-CD1 4.05Å; S35-L38 PolarHBondContact O-N 2.88Å; S35-L38 VanDerWaalsContact O-N 3.11Å; L38-M197 WeakPolarHBondContact CA-O 3.4Å; L38-M197 WeakPolarHBondContact CD2-O 3.31Å; L38-L199 HydrophobicContact CD2-CD1 4.42Å; L38-L199 HydrophobicContact CD2-CD2 3.74Å; L38-L199 HydrophobicContact CD2-CG 3.73Å | ||
| 39 | K | 87.2 | Confident | 86.5 | Confident | 59 Ų | 59 | 79.5 Ų | 79.5 | 26% | 0.257 | 43% | 0.426 | S | S | . | . | trans | -92.8 | 124.3 | 176.5 | -55.8 | -165.5 | -176 | -171.5 | 0 | 111 | F4 D43 Q196 M197 D252 | F4-K39 HydrophobicContact CE2-CB 4.4Å; F4-K39 VanDerWaalsContact CE2-O 3.31Å; F4-K39 WeakPolarHBondContact CE2-O 3.23Å; K39-D43 IonicContact NZ-OD2 3.06Å; K39-D43 PolarHBondContact NZ-OD2 3.17Å; K39-Q196 WeakPolarHBondContact CD-O 3.18Å; K39-M197 PolarHBondContact N-O 3.28Å; K39-D252 PolarHBondContact NZ-O 3.42Å | ||
| 40 | A | 84.6 | Confident | 86.2 | Confident | 91 Ų | 91 | 82.2 Ų | 82.2 | 75% | 0.752 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -75.1 | -28.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 41 | E | 86.1 | Confident | 85.9 | Confident | 127 Ų | 127 | 81 Ų | 81 | 59% | 0.593 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -133.9 | 148.2 | 175.7 | -57 | -158.2 | 132.2 | 0 | 0 | 110.2 | K7 | K7-E41 IonicContact NZ-OE1 2.71Å; K7-E41 PolarHBondContact NZ-OE1 3.33Å |
| 42 | P | 83.7 | Confident | 85.5 | Confident | 14 Ų | 14 | 82.9 Ų | 82.9 | 9% | 0.091 | 45% | 0.45 | C | S | . | . | trans | -73.2 | 131.9 | 178.6 | 28.3 | -32.8 | 0 | 0 | 0 | 111.3 | F4 K7 T8 L44 | F4-P42 HydrophobicContact CE1-CB 4.02Å; F4-P42 HydrophobicContact CE1-CG 4.49Å; F4-P42 HydrophobicContact CE2-CB 4.28Å; F4-P42 HydrophobicContact CZ-CB 3.69Å; F4-P42 HydrophobicContact CZ-CG 4.3Å; K7-P42 HydrophobicContact CB-CG 3.7Å; T8-P42 HydrophobicContact CG2-CB 4.14Å; T8-P42 HydrophobicContact CG2-CG 4.3Å; P42-L44 HydrophobicContact CG-CD2 4.43Å; P42-L44 PolarHBondContact O-N 2.93Å | ||
| 43 | D | 76.8 | Confident | 85.2 | Confident | 62 Ų | 62 | 86.4 Ų | 86.4 | 33% | 0.332 | 46% | 0.46 | S | S | . | . | trans | -65.5 | 97.6 | 168.3 | -82.9 | -53.4 | 0 | 0 | 0 | 109.8 | K39 K45 | K39-D43 IonicContact NZ-OD2 3.06Å; K39-D43 PolarHBondContact NZ-OD2 3.17Å; D43-K45 HydrophobicContact CB-CD 4.44Å; D43-K45 HydrophobicContact CB-CG 4.48Å; D43-K45 PolarHBondContact O-N 2.92Å | ||
| 44 | L | 68.1 | Low | 85.1 | Confident | 117 Ų | 117 | 85.6 Ų | 85.6 | 61% | 0.613 | 45% | 0.452 | S | S | * | . | trans | -73.5 | 46 | 179.6 | -65.4 | 176.8 | 0 | 0 | 0 | 113.4 | P42 V46 | P42-L44 HydrophobicContact CG-CD2 4.43Å; P42-L44 PolarHBondContact O-N 2.93Å; L44-V46 VanDerWaalsContact C-N 3.3Å; L44-V46 PolarHBondContact O-N 2.91Å | ||
| 45 | K | 76.4 | Confident | 84.9 | Confident | 123 Ų | 123 | 86 Ų | 86 | 54% | 0.535 | 45% | 0.451 | S | S | . | . | trans | -76.7 | 80.4 | 171.9 | -67 | 173.5 | -175.5 | 166.5 | 0 | 109 | D43 I255 | D43-K45 HydrophobicContact CB-CD 4.44Å; D43-K45 HydrophobicContact CB-CG 4.48Å; D43-K45 PolarHBondContact O-N 2.92Å; K45-I255 PolarHBondContact O-N 2.94Å | ||
| 46 | V | 82.3 | Confident | 84.8 | Confident | 69 Ų | 69 | 87.2 Ų | 87.2 | 42% | 0.418 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 111.9 | 178.9 | -175.7 | 0 | 0 | 0 | 0 | 110.6 | L44 I255 M257 | L44-V46 VanDerWaalsContact C-N 3.3Å; L44-V46 PolarHBondContact O-N 2.91Å; V46-I255 CarbonylContact C-O 3.56Å; V46-I255 VanDerWaalsContact CA-O 3.29Å; V46-I255 WeakPolarHBondContact CA-O 3.13Å; V46-M257 HydrophobicContact CG1-CE 4.21Å; V46-M257 HydrophobicContact CG1-CG 4.28Å; V46-M257 HydrophobicContact CG1-SD 4.31Å |
| 47 | T | 88.3 | Confident | 84.9 | Confident | 67 Ų | 67 | 79.6 Ų | 79.6 | 41% | 0.411 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 127.6 | 173.4 | -50 | 0 | 0 | 0 | 0 | 110.1 | Q49 I255 Q256 M257 | T47-Q49 HydrophobicContact CG2-CG 4.47Å; T47-I255 PolarHBondContact N-O 3.34Å; T47-Q256 CarbonylContact O-C 3.55Å; T47-Q256 WeakPolarHBondContact O-CA 3.33Å; T47-M257 PolarHBondContact O-N 3.11Å |
| 48 | I | 90.1 | Very high | 84.9 | Confident | 124 Ų | 124 | 76.4 Ų | 76.4 | 64% | 0.636 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 110.5 | 175.2 | -61.9 | 173.9 | 0 | 0 | 0 | 108.3 | F259 | I48-F259 HydrophobicContact CG1-CE2 4.21Å; I48-F259 HydrophobicContact CG2-CD2 3.56Å; I48-F259 HydrophobicContact CG2-CE2 3.89Å; I48-F259 HydrophobicContact CG2-CG 4.43Å |
| 49 | Q | 89.4 | Confident | 84.6 | Confident | 79 Ų | 79 | 76.5 Ų | 76.5 | 37% | 0.369 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 157.5 | 167.9 | -68.6 | -172.4 | 3.4 | 0 | 0 | 110.1 | T47 M257 H258 F259 | T47-Q49 HydrophobicContact CG2-CG 4.47Å; Q49-M257 PolarHBondContact N-O 3.48Å; Q49-M257 VanDerWaalsContact O-O 3.09Å; Q49-H258 PolarHBondContact OE1-CE1 3.35Å; Q49-H258 PolarHBondContact OE1-ND1 3.35Å; Q49-F259 PolarHBondContact O-N 3.48Å |
| 50 | S | 88.8 | Confident | 84 | Confident | 60 Ų | 60 | 80.9 Ų | 80.9 | 42% | 0.42 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 137.4 | 178.6 | -168.9 | 0 | 0 | 0 | 0 | 112.6 | F259 K261 | S50-F259 CarbonylContact C-O 3.56Å; S50-F259 VanDerWaalsContact CA-O 3.23Å; S50-F259 WeakPolarHBondContact CA-O 3.37Å; S50-F259 PolarHBondContact OG-O 3.03Å; S50-K261 WeakPolarHBondContact OG-CD 3.48Å; S50-K261 WeakPolarHBondContact OG-CE 3.13Å; S50-K261 VanDerWaalsContact OG-CG 3.24Å; S50-K261 WeakPolarHBondContact OG-CG 3.38Å |
| 51 | T | 87.3 | Confident | 83.9 | Confident | 48 Ų | 48 | 80.7 Ų | 80.7 | 29% | 0.294 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 149.9 | -178.9 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | R53 F259 S260 K261 | T51-R53 VanDerWaalsContact C-N 3.33Å; T51-R53 HydrophobicContact CG2-CB 4.41Å; T51-R53 PolarHBondContact OG1-N 3.45Å; T51-R53 VanDerWaalsContact OG1-N 3.16Å; T51-F259 PolarHBondContact N-O 3.03Å; T51-S260 CarbonylContact O-C 3.57Å; T51-S260 WeakPolarHBondContact O-CA 3.38Å; T51-K261 PolarHBondContact O-N 3.38Å |
| 52 | Q | 86.6 | Confident | 83.7 | Confident | 167 Ų | 167 | 77.1 Ų | 77.1 | 78% | 0.78 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -82.8 | -12.6 | 168.5 | -59.7 | -158.3 | 29.7 | 0 | 0 | 112.7 | N262 | Q52-N262 PolarHBondContact O-ND2 3.03Š|
| 53 | R | 85.8 | Confident | 83.7 | Confident | 148 Ų | 148 | 78.7 Ų | 78.7 | 56% | 0.558 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -68 | 141.9 | -179.2 | -62.6 | -175.4 | -177.2 | -174 | 1.9 | 111 | T51 S260 | T51-R53 VanDerWaalsContact C-N 3.33Å; T51-R53 HydrophobicContact CG2-CB 4.41Å; T51-R53 PolarHBondContact OG1-N 3.45Å; T51-R53 VanDerWaalsContact OG1-N 3.16Å; R53-S260 WeakPolarHBondContact O-CB 3.37Å; R53-S260 PolarHBondContact O-OG 3.37Å |
| 54 | H | 88.4 | Confident | 84 | Confident | 46 Ų | 46 | 81.8 Ų | 81.8 | 21% | 0.213 | 43% | 0.43 | C | S | . | . | trans | -70.6 | 142.3 | 175.1 | -169.5 | -106.8 | 0 | 0 | 0 | 110.9 | E56 A57 V265 | H54-E56 IonicContact CE1-OE2 3.6Å; H54-E56 PolarHBondContact ND1-N 2.84Å; H54-E56 PolarHBondContact O-N 3.47Å; H54-E56 VanDerWaalsContact O-N 3.11Å; H54-A57 WeakPolarHBondContact O-CB 3.42Å; H54-A57 PolarHBondContact O-N 3.38Å; H54-V265 VanDerWaalsContact CD2-CG2 3.45Å; H54-V265 WeakPolarHBondContact CD2-CG2 3.38Å | ||
| 55 | P | 87.2 | Confident | 84.8 | Confident | 28 Ų | 28 | 81.5 Ų | 81.5 | 18% | 0.182 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -13.6 | -179.2 | -24.4 | 35.2 | 0 | 0 | 0 | 116 | K244 V265 | P55-K244 HydrophobicContact CB-CB 4.33Å; P55-K244 WeakPolarHBondContact CB-O 3.35Å; P55-V265 VanDerWaalsContact CD-CG2 3.41Å; P55-V265 HydrophobicContact CG-CG2 4Å |
| 56 | E | 87.4 | Confident | 84.9 | Confident | 104 Ų | 104 | 79.7 Ų | 79.7 | 49% | 0.486 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 7.7 | 172 | -57.7 | -172.7 | 128.7 | 0 | 0 | 113 | H54 R347 | H54-E56 IonicContact CE1-OE2 3.6Å; H54-E56 PolarHBondContact ND1-N 2.84Å; H54-E56 PolarHBondContact O-N 3.47Å; H54-E56 VanDerWaalsContact O-N 3.11Å; E56-R347 IonicContact OE1-CZ 2.59Å; E56-R347 IonicContact OE1-NH1 3.22Å; E56-R347 PolarHBondContact OE1-NH1 3.19Å; E56-R347 IonicContact OE1-NH2 2.78Å; E56-R347 PolarHBondContact OE1-NH2 3.37Å; E56-R347 IonicContact OE2-NH1 3.38Å; E56-R347 PolarHBondContact OE2-NH1 2.96Å |
| 57 | A | 86.4 | Confident | 84.6 | Confident | 16 Ų | 16 | 81 Ų | 81 | 13% | 0.132 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -64.7 | 138.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | H54 V59 F108 | H54-A57 WeakPolarHBondContact O-CB 3.42Å; H54-A57 PolarHBondContact O-N 3.38Å; A57-V59 HydrophobicContact CB-CG2 4.2Å; A57-V59 PolarHBondContact O-N 3.1Å; A57-F108 HydrophobicContact CB-CZ 4.35Å |
| 58 | P | 84 | Confident | 83.4 | Confident | 31 Ų | 31 | 82.5 Ų | 82.5 | 20% | 0.201 | 44% | 0.444 | C | S | . | . | trans | -79.6 | 56.6 | -173.3 | 34.7 | -37.8 | 0 | 0 | 0 | 112.3 | I61 F64 | P58-I61 HydrophobicContact CB-CB 4.46Å; P58-I61 HydrophobicContact CB-CD1 3.7Å; P58-I61 HydrophobicContact CB-CG1 4.21Å; P58-F64 HydrophobicContact CB-CB 4.26Å; P58-F64 HydrophobicContact CB-CD1 3.71Å; P58-F64 HydrophobicContact CB-CE1 4.2Å; P58-F64 HydrophobicContact CB-CG 3.95Å; P58-F64 HydrophobicContact CG-CD1 3.71Å; P58-F64 HydrophobicContact CG-CE1 4.26Å; P58-F64 HydrophobicContact CG-CG 4.34Å | ||
| 59 | V | 81.1 | Confident | 81.7 | Confident | 27 Ų | 27 | 87.2 Ų | 87.2 | 16% | 0.164 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 134.8 | 174.2 | -162.5 | 0 | 0 | 0 | 0 | 108.5 | A57 | A57-V59 HydrophobicContact CB-CG2 4.2Å; A57-V59 PolarHBondContact O-N 3.1Å |
| 60 | H | 75.7 | Confident | 79.6 | Confident | 150 Ų | 150 | 88.9 Ų | 88.9 | 69% | 0.694 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 39 | -174.8 | -49.5 | -68.3 | 0 | 0 | 0 | 113.5 | R213 | H60-R213 PolarHBondContact NE2-NH1 2.98Š|
| 61 | I | 83.1 | Confident | 77.4 | Confident | 88 Ų | 88 | 96.2 Ų | 96.2 | 45% | 0.451 | 49% | 0.488 | S | S | . | . | trans | -113.1 | 115.6 | 167.7 | -53.5 | -171.3 | 0 | 0 | 0 | 107.1 | P58 F64 | P58-I61 HydrophobicContact CB-CB 4.46Å; P58-I61 HydrophobicContact CB-CD1 3.7Å; P58-I61 HydrophobicContact CB-CG1 4.21Å; I61-F64 HydrophobicContact CB-CB 4.4Å; I61-F64 HydrophobicContact CB-CD2 4.04Å; I61-F64 HydrophobicContact CB-CG 4.44Å; I61-F64 HydrophobicContact CG2-CD2 3.58Å; I61-F64 HydrophobicContact CG2-CE2 4.03Å; I61-F64 HydrophobicContact CG2-CG 4.45Å; I61-F64 WeakPolarHBondContact O-CB 3.34Å; I61-F64 PolarHBondContact O-N 2.7Å; I61-F64 VanDerWaalsContact O-N 3.12Å | ||
| 62 | A | 81.4 | Confident | 74.9 | Confident | 52 Ų | 52 | 100 Ų | 100 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 141.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | F64 I158 V166 | A62-F64 PolarHBondContact O-N 3.17Å; A62-I158 HydrophobicContact CB-CD1 4.12Å; A62-I158 HydrophobicContact CB-CG1 4.48Å; A62-V166 HydrophobicContact CB-CB 4.48Å; A62-V166 HydrophobicContact CB-CG1 3.41Å; A62-V166 VanDerWaalsContact CB-CG1 3.41Å; A62-V166 HydrophobicContact CB-CG2 4.32Å |
| 63 | G | 82.8 | Confident | 72.7 | Confident | 47 Ų | 47 | 101.8 Ų | 101.8 | 49% | 0.485 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 0.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 64 | F | 84 | Confident | 70.2 | Confident | 127 Ų | 127 | 99.3 Ų | 99.3 | 56% | 0.557 | 53% | 0.527 | S | S | * | . | trans | -101.6 | 91.7 | 167 | -81.1 | -102.2 | 0 | 0 | 0 | 110 | P58 I61 A62 L66 | P58-F64 HydrophobicContact CB-CB 4.26Å; P58-F64 HydrophobicContact CB-CD1 3.71Å; P58-F64 HydrophobicContact CB-CE1 4.2Å; P58-F64 HydrophobicContact CB-CG 3.95Å; P58-F64 HydrophobicContact CG-CD1 3.71Å; P58-F64 HydrophobicContact CG-CE1 4.26Å; P58-F64 HydrophobicContact CG-CG 4.34Å; I61-F64 HydrophobicContact CB-CB 4.4Å; I61-F64 HydrophobicContact CB-CD2 4.04Å; I61-F64 HydrophobicContact CB-CG 4.44Å; I61-F64 HydrophobicContact CG2-CD2 3.58Å; I61-F64 HydrophobicContact CG2-CE2 4.03Å; I61-F64 HydrophobicContact CG2-CG 4.45Å; I61-F64 WeakPolarHBondContact O-CB 3.34Å; I61-F64 PolarHBondContact O-N 2.7Å; I61-F64 VanDerWaalsContact O-N 3.12Å; A62-F64 PolarHBondContact O-N 3.17Å; F64-L66 WeakPolarHBondContact O-CD1 3.34Å; F64-L66 PolarHBondContact O-N 3.07Å | ||
| 65 | H | 83.4 | Confident | 67.5 | Low | 111 Ų | 111 | 100.9 Ų | 100.9 | 51% | 0.514 | 56% | 0.556 | S | S | . | * | trans | -69.2 | 128.3 | 171.1 | -177.9 | -138.2 | 0 | 0 | 0 | 110.6 | ||||
| 66 | L | 79.1 | Confident | 64.9 | Low | 84 Ų | 84 | 105.3 Ų | 105.3 | 44% | 0.44 | 59% | 0.587 | S | S | . | * | trans | -115.1 | 100.5 | 167.6 | -77.9 | 85.3 | 0 | 0 | 0 | 107.5 | F64 S68 | F64-L66 WeakPolarHBondContact O-CD1 3.34Å; F64-L66 PolarHBondContact O-N 3.07Å; L66-S68 PolarHBondContact O-N 3Å; L66-S68 VanDerWaalsContact O-N 3.13Å | ||
| 67 | P | 75.8 | Confident | 62.1 | Low | 97 Ų | 97 | 104 Ų | 104 | 63% | 0.63 | 60% | 0.603 | S | S | * | * | trans | -59.5 | 121.5 | -175.9 | 22.8 | -33.4 | 0 | 0 | 0 | 110.2 | R69 | P67-R69 PolarHBondContact O-N 3.38Š| ||
| 68 | S | 63.7 | Low | 59.3 | Low | 98 Ų | 98 | 109.5 Ų | 109.5 | 69% | 0.685 | 64% | 0.64 | S | S | * | * | trans | -74.5 | 122.7 | 168.9 | 94.4 | 0 | 0 | 0 | 0 | 107.3 | L66 V70 | L66-S68 PolarHBondContact O-N 3Å; L66-S68 VanDerWaalsContact O-N 3.13Å; S68-V70 VanDerWaalsContact C-N 3.31Å; S68-V70 PolarHBondContact O-N 2.88Å | ||
| 69 | R | 53.4 | Low | 56.5 | Low | 223 Ų | 223 | 111.5 Ų | 111.5 | 84% | 0.842 | 67% | 0.666 | S | S | * | * | trans | -67.8 | 95.5 | 171 | -91 | -173.1 | 170.9 | 172.8 | -2.6 | 108.1 | P67 R71 | P67-R69 PolarHBondContact O-N 3.38Å; R69-R71 PolarHBondContact O-N 3.14Å; R69-R71 VanDerWaalsContact O-N 3.1Å | ||
| 70 | V | 46.3 | Very low | 54.2 | Low | 115 Ų | 115 | 116.7 Ų | 116.7 | 70% | 0.697 | 70% | 0.7 | S | S | * | * | trans | -56.5 | 115.5 | 161.4 | 179.6 | 0 | 0 | 0 | 0 | 106.5 | S68 T72 | S68-V70 VanDerWaalsContact C-N 3.31Å; S68-V70 PolarHBondContact O-N 2.88Å; V70-T72 VanDerWaalsContact C-N 3.29Å; V70-T72 PolarHBondContact O-N 3.29Å | ||
| 71 | R | 42.3 | Very low | 51.8 | Low | 214 Ų | 214 | 113.2 Ų | 113.2 | 81% | 0.808 | 71% | 0.705 | S | S | * | * | trans | -70 | 92.4 | 170 | -89.7 | -177.8 | 155.1 | -174.8 | -5.6 | 107.4 | R69 K73 | R69-R71 PolarHBondContact O-N 3.14Å; R69-R71 VanDerWaalsContact O-N 3.1Å; R71-K73 PolarHBondContact O-N 3.3Å | ||
| 72 | T | 35.5 | Very low | 49.1 | Very low | 126 Ų | 126 | 115.3 Ų | 115.3 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | -54.2 | 111.2 | 164.5 | 43.8 | 0 | 0 | 0 | 0 | 108 | V70 A74 | V70-T72 VanDerWaalsContact C-N 3.29Å; V70-T72 PolarHBondContact O-N 3.29Å; T72-A74 VanDerWaalsContact C-N 3.33Å; T72-A74 PolarHBondContact O-N 2.8Å | ||
| 73 | K | 39.4 | Very low | 46.4 | Very low | 205 Ų | 205 | 115.7 Ų | 115.7 | 89% | 0.891 | 74% | 0.736 | S | S | * | * | trans | -68.6 | 95 | 172.7 | -77.7 | -177.8 | 176.4 | 176.8 | 0 | 107.6 | R71 G75 | R71-K73 PolarHBondContact O-N 3.3Å; K73-G75 PolarHBondContact O-N 3.34Å | ||
| 74 | A | 34.4 | Very low | 43.8 | Very low | 97 Ų | 97 | 121.6 Ų | 121.6 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | trans | -54.4 | 127.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | T72 S76 | T72-A74 VanDerWaalsContact C-N 3.33Å; T72-A74 PolarHBondContact O-N 2.8Å; A74-S76 PolarHBondContact O-N 2.95Å | ||
| 75 | G | 32.2 | Very low | 41 | Very low | 79 Ų | 79 | 119 Ų | 119 | 81% | 0.814 | 77% | 0.766 | S | S | * | * | trans | -64.6 | 131.6 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K73 G77 | K73-G75 PolarHBondContact O-N 3.34Å; G75-G77 PolarHBondContact O-N 3.27Å | ||
| 76 | S | 31.3 | Very low | 39 | Very low | 120 Ų | 120 | 119.8 Ų | 119.8 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | -76.1 | 114.6 | 167.5 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | A74 | A74-S76 PolarHBondContact O-N 2.95Š| ||
| 77 | G | 28.6 | Very low | 36.4 | Very low | 78 Ų | 78 | 122.2 Ų | 122.2 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -61 | 146 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G75 | G75-G77 PolarHBondContact O-N 3.27Š| ||
| 78 | S | 27.5 | Very low | 34 | Very low | 131 Ų | 131 | 120.6 Ų | 120.6 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | -77.9 | 145.9 | -168.9 | 50.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 79 | G | 25.7 | Very low | 32.4 | Very low | 72 Ų | 72 | 121.7 Ų | 121.7 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | -168.7 | 123 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 80 | P | 32.7 | Very low | 31.2 | Very low | 136 Ų | 136 | 117.8 Ų | 117.8 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -111.9 | 161.1 | -158.2 | 40.3 | -35.8 | 0 | 0 | 0 | 117.7 | ||||
| 81 | G | 25 | Very low | 30.4 | Very low | 78 Ų | 78 | 121.1 Ų | 121.1 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | 107.2 | 146.4 | 158.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 82 | S | 25.9 | Very low | 29.8 | Very low | 131 Ų | 131 | 119.6 Ų | 119.6 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | cis | -166.4 | 152.1 | -13.2 | -169.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 83 | G | 24.4 | Very low | 29.5 | Very low | 60 Ų | 60 | 119.3 Ų | 119.3 | 62% | 0.619 | 82% | 0.816 | S | S | * | * | trans | 120.8 | 96.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 84 | N | 29.7 | Very low | 28.9 | Very low | 172 Ų | 172 | 116.8 Ų | 116.8 | 92% | 0.92 | 81% | 0.813 | S | S | * | * | trans | 61.3 | 118.3 | 140.5 | -55.8 | -8.1 | 0 | 0 | 0 | 122 | ||||
| 85 | G | 24.9 | Very low | 28.7 | Very low | 72 Ų | 72 | 120.2 Ų | 120.2 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -92.6 | -150.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 86 | P | 40.7 | Very low | 28.8 | Very low | 127 Ų | 127 | 121.2 Ų | 121.2 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | cis | -109.6 | -164.3 | -1.7 | 33.2 | -13.3 | 0 | 0 | 0 | 110.8 | ||||
| 87 | T | 25.2 | Very low | 29 | Very low | 135 Ų | 135 | 120.8 Ų | 120.8 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | cis | -135.4 | -154.9 | 16.2 | 56.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 88 | G | 25 | Very low | 29 | Very low | 64 Ų | 64 | 121.6 Ų | 121.6 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | trans | -116.3 | -158.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 89 | P | 30.8 | Very low | 29.5 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | cis | -123.2 | 152.2 | 13.1 | 39.9 | -26.3 | 0 | 0 | 0 | 117 | ||||
| 90 | V | 27.5 | Very low | 29.6 | Very low | 141 Ų | 141 | 126.5 Ų | 126.5 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | 16.6 | 111.2 | 149.1 | -168.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 91 | Q | 28.8 | Very low | 30 | Very low | 185 Ų | 185 | 126 Ų | 126 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -119.2 | 145.1 | 151.6 | -72.3 | -179.9 | -0.9 | 0 | 0 | 109.4 | ||||
| 92 | Q | 29.9 | Very low | 30.3 | Very low | 181 Ų | 181 | 127.9 Ų | 127.9 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 146.8 | 177.1 | -72 | 174.9 | -15.5 | 0 | 0 | 110.5 | D94 | Q92-D94 PolarHBondContact O-N 3.32Š|
| 93 | P | 30.7 | Very low | 30.9 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 126.7 | -169.1 | 29.6 | -34.6 | 0 | 0 | 0 | 113.2 | ||
| 94 | D | 25.5 | Very low | 31.4 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 139.9 | 164.5 | -68.9 | -64 | 0 | 0 | 0 | 111.6 | Q92 P96 | Q92-D94 PolarHBondContact O-N 3.32Å; D94-P96 WeakPolarHBondContact O-CD 3.49Å |
| 95 | I | 31.4 | Very low | 31.7 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 86% | 0.862 | 79% | 0.785 | S | S | * | * | trans | -87.9 | 114.5 | 170.9 | -60.2 | 173.5 | 0 | 0 | 0 | 107.9 | ||||
| 96 | P | 32.7 | Very low | 32.2 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | trans | -72.8 | 136 | -177.3 | 28.9 | -34.1 | 0 | 0 | 0 | 111.3 | D94 S98 | D94-P96 WeakPolarHBondContact O-CD 3.49Å; P96-S98 PolarHBondContact O-N 3.47Å | ||
| 97 | A | 36.6 | Very low | 32 | Very low | 110 Ų | 110 | 129 Ų | 129 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | trans | -71.4 | 109.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 98 | S | 28.1 | Very low | 32.7 | Very low | 96 Ų | 96 | 129.4 Ų | 129.4 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | trans | -108.7 | 118.2 | 167.5 | 52.9 | 0 | 0 | 0 | 0 | 109.8 | P96 | P96-S98 PolarHBondContact O-N 3.47Š| ||
| 99 | S | 37.8 | Very low | 33.3 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | trans | -96.5 | 91.6 | -178.3 | 52.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 100 | E | 28.4 | Very low | 33.8 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | trans | -130.6 | 145.8 | 167.3 | -66.7 | -171.6 | 174.1 | 0 | 0 | 110 | D102 | E100-D102 PolarHBondContact O-N 2.88Š| ||
| 101 | T | 41.4 | Very low | 34.5 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | trans | -92.6 | 96.8 | -156.5 | 46.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 102 | D | 30.9 | Very low | 35 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | trans | -98.1 | 73.7 | 164.1 | -82.6 | -30.9 | 0 | 0 | 0 | 110.6 | E100 D104 F105 | E100-D102 PolarHBondContact O-N 2.88Å; D102-D104 PolarHBondContact O-N 3.45Å; D102-F105 HydrophobicContact CB-CB 4.47Å | ||
| 103 | E | 37.8 | Very low | 35.6 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -31 | 177.6 | -64.4 | -154.4 | 121.9 | 0 | 0 | 112.2 | S106 | E103-S106 PolarHBondContact O-N 3.21Å; E103-S106 PolarHBondContact O-OG 2.99Å |
| 104 | D | 36 | Very low | 36.3 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 68% | 0.684 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -71.8 | -36.1 | -176.6 | -78.7 | -41.2 | 0 | 0 | 0 | 114.3 | D102 S106 S107 | D102-D104 PolarHBondContact O-N 3.45Å; D104-S106 PolarHBondContact O-N 3.37Å; D104-S107 WeakPolarHBondContact O-CB 3.32Å; D104-S107 PolarHBondContact O-N 3.5Å; D104-S107 PolarHBondContact O-OG 2.75Å |
| 105 | F | 34.8 | Very low | 37.4 | Very low | 191 Ų | 191 | 139.7 Ų | 139.7 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -76.1 | -10.5 | -179.9 | -145.3 | -100.1 | 0 | 0 | 0 | 112.9 | D102 S107 | D102-F105 HydrophobicContact CB-CB 4.47Å; F105-S107 VanDerWaalsContact C-N 3.3Å |
| 106 | S | 35.7 | Very low | 38.2 | Very low | 53 Ų | 53 | 137 Ų | 137 | 37% | 0.371 | 72% | 0.718 | S | S | . | * | G | 310 helix | trans | -84.8 | -3.1 | 167.7 | 90.8 | 0 | 0 | 0 | 0 | 113.4 | E103 D104 F108 K264 | E103-S106 PolarHBondContact O-N 3.21Å; E103-S106 PolarHBondContact O-OG 2.99Å; D104-S106 PolarHBondContact O-N 3.37Å; S106-F108 PolarHBondContact O-N 3.11Å; S106-K264 PolarHBondContact O-NZ 2.89Å; S106-K264 PolarHBondContact OG-NZ 2.87Å |
| 107 | S | 36.5 | Very low | 39.1 | Very low | 52 Ų | 52 | 136.1 Ų | 136.1 | 36% | 0.364 | 71% | 0.714 | S | S | . | * | trans | -80.1 | 84.8 | 178.9 | 78.9 | 0 | 0 | 0 | 0 | 110.8 | D104 F105 R109 | D104-S107 WeakPolarHBondContact O-CB 3.32Å; D104-S107 PolarHBondContact O-N 3.5Å; D104-S107 PolarHBondContact O-OG 2.75Å; F105-S107 VanDerWaalsContact C-N 3.3Å; S107-R109 PolarHBondContact O-N 3.35Å | ||
| 108 | F | 40.1 | Very low | 40 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 62% | 0.623 | 70% | 0.695 | S | S | * | * | trans | -59.7 | 85.3 | 161.8 | -87.1 | -101.6 | 0 | 0 | 0 | 109.5 | A57 S106 F110 | A57-F108 HydrophobicContact CB-CZ 4.35Å; S106-F108 PolarHBondContact O-N 3.11Å; F108-F110 PolarHBondContact O-N 3.41Å | ||
| 109 | R | 38.2 | Very low | 41.3 | Very low | 204 Ų | 204 | 136 Ų | 136 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | trans | -72.8 | 63.1 | 174.5 | -71.6 | -177 | 175.2 | -177.2 | -2 | 110.5 | S107 W111 | S107-R109 PolarHBondContact O-N 3.35Å; R109-W111 PolarHBondContact O-N 2.76Å | ||
| 110 | F | 41.8 | Very low | 42 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 75% | 0.75 | 69% | 0.686 | S | S | * | * | trans | -72.3 | 13.6 | 175.4 | -167.5 | -101.4 | 0 | 0 | 0 | 113.4 | F108 | F108-F110 PolarHBondContact O-N 3.41Š| ||
| 111 | W | 41.5 | Very low | 43.2 | Very low | 203 Ų | 203 | 134 Ų | 134 | 77% | 0.769 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -129.2 | 103 | 169.5 | -53.6 | 98 | 0 | 0 | 0 | 106.4 | R109 | R109-W111 PolarHBondContact O-N 2.76Š|
| 112 | R | 39.1 | Very low | 43.9 | Very low | 227 Ų | 227 | 133.1 Ų | 133.1 | 86% | 0.857 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 133.9 | 162 | -84.5 | -173.8 | 163.8 | 113.8 | -4 | 107.7 | ||
| 113 | D | 43 | Very low | 45 | Very low | 146 Ų | 146 | 133 Ų | 133 | 78% | 0.781 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -57 | 147.6 | 150.4 | -70 | -55.9 | 0 | 0 | 0 | 108.4 | V115 | D113-V115 PolarHBondContact O-N 3.16Š|
| 114 | P | 44.5 | Very low | 45.9 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 130.5 | -178 | 23.1 | -33.4 | 0 | 0 | 0 | 110 | ||
| 115 | V | 48.7 | Very low | 46.8 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 66% | 0.655 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 132.9 | 177.6 | -158.7 | 0 | 0 | 0 | 0 | 107.7 | D113 S117 | D113-V115 PolarHBondContact O-N 3.16Å; V115-S117 PolarHBondContact O-N 3.38Å |
| 116 | P | 49 | Very low | 47.4 | Very low | 113 Ų | 113 | 129 Ų | 129 | 73% | 0.734 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 140.4 | 171.7 | 22.4 | -32.5 | 0 | 0 | 0 | 109.6 | V118 | P116-V118 PolarHBondContact O-N 2.89Š|
| 117 | S | 51.6 | Low | 47.6 | Very low | 81 Ų | 81 | 133.6 Ų | 133.6 | 57% | 0.566 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 116.7 | -177.6 | 45.9 | 0 | 0 | 0 | 0 | 110.2 | V115 D119 | V115-S117 PolarHBondContact O-N 3.38Å; S117-D119 PolarHBondContact O-N 3.17Å |
| 118 | V | 54.2 | Low | 48 | Very low | 85 Ų | 85 | 137.5 Ų | 137.5 | 52% | 0.515 | 70% | 0.697 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.8 | 17.2 | 179.6 | -157 | 0 | 0 | 0 | 0 | 111.7 | P116 Q120 L122 | P116-V118 PolarHBondContact O-N 2.89Å; V118-Q120 VanDerWaalsContact C-N 3.33Å; V118-Q120 PolarHBondContact O-N 2.71Å; V118-L122 HydrophobicContact CG1-CD1 4.43Å; V118-L122 WeakPolarHBondContact O-CB 3.3Å |
| 119 | D | 56.3 | Low | 47.8 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -8.9 | -169.8 | -57 | -39.5 | 0 | 0 | 0 | 113.4 | S117 | S117-D119 PolarHBondContact O-N 3.17Š|
| 120 | Q | 53.2 | Low | 47.3 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -57.9 | 179.3 | -73.3 | 173.7 | -19.4 | 0 | 0 | 110.9 | V118 L122 L123 D124 | V118-Q120 VanDerWaalsContact C-N 3.33Å; V118-Q120 PolarHBondContact O-N 2.71Å; Q120-L122 PolarHBondContact O-N 3.23Å; Q120-L122 VanDerWaalsContact O-N 3.09Å; Q120-L123 WeakPolarHBondContact O-CB 3.41Å; Q120-L123 PolarHBondContact O-N 3.17Å; Q120-D124 PolarHBondContact O-N 2.93Å |
| 121 | D | 52.5 | Low | 46.6 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 65% | 0.647 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -57.9 | -27.9 | 178.8 | -51.6 | -7.7 | 0 | 0 | 0 | 113.5 | ||
| 122 | L | 55.6 | Low | 45.9 | Very low | 108 Ų | 108 | 121 Ų | 121 | 57% | 0.565 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -83.2 | -18.7 | 176.7 | -137.8 | 93.7 | 0 | 0 | 0 | 113.6 | V118 Q120 L126 | V118-L122 HydrophobicContact CG1-CD1 4.43Å; V118-L122 WeakPolarHBondContact O-CB 3.3Å; Q120-L122 PolarHBondContact O-N 3.23Å; Q120-L122 VanDerWaalsContact O-N 3.09Å; L122-L126 WeakPolarHBondContact O-CG 3.32Å |
| 123 | L | 54.9 | Low | 45.4 | Very low | 114 Ų | 114 | 115 Ų | 115 | 60% | 0.597 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -80.6 | -40.7 | 176.5 | -121.7 | 67.3 | 0 | 0 | 0 | 110.7 | Q120 L125 L126 | Q120-L123 WeakPolarHBondContact O-CB 3.41Å; Q120-L123 PolarHBondContact O-N 3.17Å; L123-L125 PolarHBondContact O-N 2.92Å; L123-L126 PolarHBondContact O-N 2.6Å |
| 124 | D | 56.1 | Low | 44.6 | Very low | 121 Ų | 121 | 117.2 Ų | 117.2 | 65% | 0.647 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -63.8 | -25.4 | 178.9 | -68.6 | -7.3 | 0 | 0 | 0 | 112.6 | Q120 L126 | Q120-D124 PolarHBondContact O-N 2.93Å; D124-L126 VanDerWaalsContact C-N 3.33Å |
| 125 | L | 55.3 | Low | 43.9 | Very low | 141 Ų | 141 | 118 Ų | 118 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -9.6 | 173.8 | -70.7 | 172.8 | 0 | 0 | 0 | 114.2 | L123 | L123-L125 PolarHBondContact O-N 2.92Š|
| 126 | L | 47.3 | Very low | 42.9 | Very low | 136 Ų | 136 | 121.3 Ų | 121.3 | 71% | 0.712 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -12.6 | -179 | -68.3 | 171.9 | 0 | 0 | 0 | 113.7 | L122 L123 D124 | L122-L126 WeakPolarHBondContact O-CG 3.32Å; L123-L126 PolarHBondContact O-N 2.6Å; D124-L126 VanDerWaalsContact C-N 3.33Å |
| 127 | D | 40.9 | Very low | 42 | Very low | 148 Ų | 148 | 124.4 Ų | 124.4 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -88.7 | -9.1 | -178.7 | -156.1 | 38.1 | 0 | 0 | 0 | 113.7 | G129 | D127-G129 VanDerWaalsContact C-N 3.26Å; D127-G129 PolarHBondContact O-N 3.28Å; D127-G129 VanDerWaalsContact O-N 3.09Å |
| 128 | V | 43.7 | Very low | 40.9 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -89.9 | 58.5 | 177.2 | -163.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 129 | G | 35.5 | Very low | 39.5 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | trans | -96.2 | 106.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D127 | D127-G129 VanDerWaalsContact C-N 3.26Å; D127-G129 PolarHBondContact O-N 3.28Å; D127-G129 VanDerWaalsContact O-N 3.09Å | ||
| 130 | G | 28.9 | Very low | 38.1 | Very low | 81 Ų | 81 | 130.7 Ų | 130.7 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | 112.2 | 105.8 | 141.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 131 | A | 26.5 | Very low | 36.7 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 92% | 0.917 | 78% | 0.775 | S | S | * | * | trans | -147.3 | 155.9 | 144.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 132 | S | 26.7 | Very low | 36 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -112.5 | 154.2 | -155.9 | -166.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 133 | S | 28.1 | Very low | 34.7 | Very low | 101 Ų | 101 | 126.3 Ų | 126.3 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | 60.7 | 121.4 | 150.7 | -57.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 134 | Q | 26.3 | Very low | 33.3 | Very low | 192 Ų | 192 | 129.3 Ų | 129.3 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | -176.7 | 159.7 | 98.2 | -96.5 | -179.5 | 0.2 | 0 | 0 | 112.3 | |||||
| 135 | V | 31.6 | Very low | 32.1 | Very low | 138 Ų | 138 | 127.5 Ų | 127.5 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | trans | -102.4 | 133 | 174.6 | 174.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 136 | E | 27.4 | Very low | 30.8 | Very low | 178 Ų | 178 | 128 Ų | 128 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -145.4 | 147.2 | 150.3 | -85.4 | -129.6 | 151.7 | 0 | 0 | 110.7 | ||||
| 137 | E | 29.8 | Very low | 29.9 | Very low | 177 Ų | 177 | 128.8 Ų | 128.8 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | -113 | 136.1 | 179.7 | -178.3 | -165.2 | -164.7 | 0 | 0 | 108.6 | ||||
| 138 | R | 27.2 | Very low | 29.5 | Very low | 226 Ų | 226 | 129.1 Ų | 129.1 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -174.7 | 133.2 | 160.9 | -105 | 152.4 | -153.9 | -90.5 | 3.8 | 114.7 | ||||
| 139 | G | 25 | Very low | 28.9 | Very low | 85 Ų | 85 | 126.4 Ų | 126.4 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | trans | 91.7 | 126.3 | 133.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 140 | A | 26.8 | Very low | 28.9 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 88% | 0.884 | 80% | 0.801 | S | S | * | * | trans | -101.4 | 137.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 141 | G | 25.4 | Very low | 29.4 | Very low | 75 Ų | 75 | 130.7 Ų | 130.7 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | 76 | 174.3 | 140.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 142 | P | 37.5 | Very low | 30.4 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | cis | -136.1 | 153 | -25.1 | 38.5 | -22.9 | 0 | 0 | 0 | 115.3 | ||||
| 143 | G | 27 | Very low | 31.7 | Very low | 72 Ų | 72 | 135.3 Ų | 135.3 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | 85.7 | 129.5 | 151.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 144 | L | 26.8 | Very low | 32.9 | Very low | 178 Ų | 178 | 136 Ų | 136 | 93% | 0.932 | 78% | 0.78 | S | S | * | * | -176.3 | 138.8 | 125.7 | -99.5 | 166.8 | 0 | 0 | 0 | 111.6 | |||||
| 145 | A | 30.2 | Very low | 34.7 | Very low | 82 Ų | 82 | 133 Ų | 133 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | trans | 57.8 | 106 | 164.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | N147 | A145-N147 PolarHBondContact O-N 3.12Š| ||
| 146 | D | 28.3 | Very low | 36.7 | Very low | 151 Ų | 151 | 128.3 Ų | 128.3 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | trans | -54.2 | 102.7 | 144.2 | -85.6 | -50 | 0 | 0 | 0 | 109.1 | Q148 | D146-Q148 VanDerWaalsContact C-N 3.3Å; D146-Q148 PolarHBondContact O-N 3.16Å | ||
| 147 | N | 28.6 | Very low | 39.4 | Very low | 154 Ų | 154 | 128 Ų | 128 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | trans | -82.1 | 90.9 | 150 | -91.5 | -13.7 | 0 | 0 | 0 | 106.4 | A145 S149 | A145-N147 PolarHBondContact O-N 3.12Å; N147-S149 VanDerWaalsContact C-N 3.25Å; N147-S149 PolarHBondContact O-N 3.2Å | ||
| 148 | Q | 32.9 | Very low | 42.1 | Very low | 155 Ų | 155 | 123.3 Ų | 123.3 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | trans | -66.2 | 91.5 | 165.6 | -160.4 | 144.9 | 93.6 | 0 | 0 | 106.6 | D146 D150 | D146-Q148 VanDerWaalsContact C-N 3.3Å; D146-Q148 PolarHBondContact O-N 3.16Å; Q148-D150 PolarHBondContact O-N 2.96Å; Q148-D150 VanDerWaalsContact O-N 3.16Å | ||
| 149 | S | 30.3 | Very low | 45.1 | Very low | 77 Ų | 77 | 114.9 Ų | 114.9 | 54% | 0.538 | 70% | 0.695 | S | S | . | * | trans | -67.1 | 107.5 | 163 | 45.8 | 0 | 0 | 0 | 0 | 106.4 | N147 D151 | N147-S149 VanDerWaalsContact C-N 3.25Å; N147-S149 PolarHBondContact O-N 3.2Å; S149-D151 VanDerWaalsContact CB-OD2 3.29Å; S149-D151 WeakPolarHBondContact CB-OD2 3.24Å; S149-D151 PolarHBondContact O-N 2.8Å; S149-D151 PolarHBondContact OG-OD2 2.9Å | ||
| 150 | D | 36.6 | Very low | 48.3 | Very low | 136 Ų | 136 | 116.7 Ų | 116.7 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | trans | -68.4 | 79.5 | 163 | -74.1 | -38.1 | 0 | 0 | 0 | 107.1 | Q148 E152 | Q148-D150 PolarHBondContact O-N 2.96Å; Q148-D150 VanDerWaalsContact O-N 3.16Å; D150-E152 PolarHBondContact O-N 3.48Å | ||
| 151 | D | 38 | Very low | 51.1 | Low | 110 Ų | 110 | 116.9 Ų | 116.9 | 59% | 0.588 | 69% | 0.686 | S | S | * | * | trans | -72.7 | 67.2 | 177 | -69.4 | -55.8 | 0 | 0 | 0 | 109.4 | S149 D153 D154 | S149-D151 VanDerWaalsContact CB-OD2 3.29Å; S149-D151 WeakPolarHBondContact CB-OD2 3.24Å; S149-D151 PolarHBondContact O-N 2.8Å; S149-D151 PolarHBondContact OG-OD2 2.9Å; D151-D153 PolarHBondContact O-N 3Å; D151-D154 PolarHBondContact O-N 3.19Å | ||
| 152 | E | 48.3 | Very low | 53.9 | Low | 178 Ų | 178 | 115.2 Ų | 115.2 | 83% | 0.832 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -4.1 | 172.9 | -65.3 | -169.2 | 151.9 | 0 | 0 | 112.9 | D150 | D150-E152 PolarHBondContact O-N 3.48Š|
| 153 | D | 53.2 | Low | 56.3 | Low | 138 Ų | 138 | 112.2 Ų | 112.2 | 74% | 0.738 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -3.6 | 177.1 | -79.5 | -33 | 0 | 0 | 0 | 114.4 | D151 D155 | D151-D153 PolarHBondContact O-N 3Å; D153-D155 PolarHBondContact O-N 2.72Å |
| 154 | D | 54.1 | Low | 58.9 | Low | 114 Ų | 114 | 118.3 Ų | 118.3 | 61% | 0.61 | 64% | 0.636 | S | S | * | * | trans | -81 | 5.1 | -176.6 | -148.8 | 23.5 | 0 | 0 | 0 | 114.2 | D151 G156 W157 | D151-D154 PolarHBondContact O-N 3.19Å; D154-G156 PolarHBondContact O-N 3.15Å; D154-W157 PolarHBondContact OD1-NE1 2.99Å | ||
| 155 | D | 63.3 | Low | 61.2 | Low | 130 Ų | 130 | 114.9 Ų | 114.9 | 70% | 0.695 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 117.2 | -175 | -146.6 | 1.8 | 0 | 0 | 0 | 112.6 | D153 | D153-D155 PolarHBondContact O-N 2.72Š|
| 156 | G | 72.9 | Confident | 63.4 | Low | 40 Ų | 40 | 112.7 Ų | 112.7 | 41% | 0.412 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 104 | 4.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | D154 | D154-G156 PolarHBondContact O-N 3.15Š|
| 157 | W | 85.5 | Confident | 65.3 | Low | 170 Ų | 170 | 113.5 Ų | 113.5 | 64% | 0.644 | 59% | 0.59 | S | S | * | * | trans | -64.5 | 148.9 | 169.7 | -73.6 | 97.4 | 0 | 0 | 0 | 112.6 | D154 T159 N162 | D154-W157 PolarHBondContact OD1-NE1 2.99Å; W157-T159 HydrophobicContact CB-CG2 4.09Å; W157-N162 PolarHBondContact O-ND2 3.23Å | ||
| 158 | I | 86.9 | Confident | 66.9 | Low | 80 Ų | 80 | 110.5 Ų | 110.5 | 41% | 0.41 | 57% | 0.572 | S | S | . | * | trans | -98.2 | 107.7 | 167.2 | -56.1 | 177.6 | 0 | 0 | 0 | 108.1 | A62 N162 I163 V166 | A62-I158 HydrophobicContact CB-CD1 4.12Å; A62-I158 HydrophobicContact CB-CG1 4.48Å; I158-N162 WeakPolarHBondContact CA-OD1 3.42Å; I158-I163 HydrophobicContact CG2-CB 4.38Å; I158-I163 HydrophobicContact CG2-CG1 4.35Å; I158-V166 HydrophobicContact CD1-CG1 4.37Å | ||
| 159 | T | 89.1 | Confident | 68.1 | Low | 49 Ų | 49 | 107.5 Ų | 107.5 | 30% | 0.301 | 56% | 0.558 | S | S | . | * | trans | -108.1 | 161.6 | -175.6 | 64.9 | 0 | 0 | 0 | 0 | 111.2 | W157 S161 N162 I163 | W157-T159 HydrophobicContact CB-CG2 4.09Å; T159-S161 PolarHBondContact O-N 2.89Å; T159-S161 VanDerWaalsContact O-N 3.12Å; T159-N162 PolarHBondContact N-OD1 3.27Å; T159-N162 PolarHBondContact O-N 2.9Å; T159-N162 VanDerWaalsContact O-N 3.16Å; T159-N162 PolarHBondContact O-OD1 3.01Å; T159-N162 PolarHBondContact OG1-N 3.25Å; T159-I163 WeakPolarHBondContact O-CB 3.4Å; T159-I163 PolarHBondContact O-N 2.87Å | ||
| 160 | P | 91.4 | Very high | 69.1 | Low | 123 Ų | 123 | 107.4 Ų | 107.4 | 80% | 0.799 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -28.3 | 172.5 | -26.5 | 36 | 0 | 0 | 0 | 113.6 | I163 | P160-I163 WeakPolarHBondContact O-CG2 3.4Š|
| 161 | S | 87.5 | Confident | 69.7 | Low | 111 Ų | 111 | 101.5 Ų | 101.5 | 78% | 0.776 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -44.7 | 176.8 | -50.9 | 0 | 0 | 0 | 0 | 112.4 | T159 | T159-S161 PolarHBondContact O-N 2.89Å; T159-S161 VanDerWaalsContact O-N 3.12Å |
| 162 | N | 84.4 | Confident | 70.3 | Confident | 40 Ų | 40 | 100.3 Ų | 100.3 | 21% | 0.214 | 52% | 0.52 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -11.5 | -175.3 | 75.1 | 19.6 | 0 | 0 | 0 | 114.8 | W157 I158 T159 R164 Q165 V166 | W157-N162 PolarHBondContact O-ND2 3.23Å; I158-N162 WeakPolarHBondContact CA-OD1 3.42Å; T159-N162 PolarHBondContact N-OD1 3.27Å; T159-N162 PolarHBondContact O-N 2.9Å; T159-N162 VanDerWaalsContact O-N 3.16Å; T159-N162 PolarHBondContact O-OD1 3.01Å; T159-N162 PolarHBondContact OG1-N 3.25Å; N162-R164 PolarHBondContact O-N 2.8Å; N162-Q165 WeakPolarHBondContact O-CA 3.36Å; N162-Q165 WeakPolarHBondContact O-CB 3.39Å; N162-Q165 PolarHBondContact O-N 2.99Å; N162-V166 PolarHBondContact O-N 3.34Å |
| 163 | I | 86.1 | Confident | 70.3 | Confident | 69 Ų | 69 | 96.3 Ų | 96.3 | 35% | 0.354 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.8 | -27.4 | -176 | -165.6 | 168.2 | 0 | 0 | 0 | 114.2 | I158 T159 P160 K167 | I158-I163 HydrophobicContact CG2-CB 4.38Å; I158-I163 HydrophobicContact CG2-CG1 4.35Å; T159-I163 WeakPolarHBondContact O-CB 3.4Å; T159-I163 PolarHBondContact O-N 2.87Å; P160-I163 WeakPolarHBondContact O-CG2 3.4Å; I163-K167 HydrophobicContact CG1-CD 4.38Å; I163-K167 WeakPolarHBondContact O-CB 3.24Å; I163-K167 WeakPolarHBondContact O-CD 3.46Å; I163-K167 WeakPolarHBondContact O-CG 3.48Å; I163-K167 PolarHBondContact O-N 2.65Å |
| 164 | R | 82 | Confident | 70.2 | Confident | 200 Ų | 200 | 92 Ų | 92 | 76% | 0.755 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -71.1 | -42.2 | 173.8 | -67.5 | -175.5 | -179.1 | -178.8 | 1.6 | 111.7 | N162 M168 | N162-R164 PolarHBondContact O-N 2.8Å; R164-M168 WeakPolarHBondContact O-CG 3.35Å; R164-M168 PolarHBondContact O-N 3.32Å |
| 165 | Q | 74.5 | Confident | 70.3 | Confident | 105 Ų | 105 | 94.6 Ų | 94.6 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.2 | -52.3 | 176.1 | -176.8 | 177.2 | 4.8 | 0 | 0 | 110.4 | N162 K167 M168 E169 W173 | N162-Q165 WeakPolarHBondContact O-CA 3.36Å; N162-Q165 WeakPolarHBondContact O-CB 3.39Å; N162-Q165 PolarHBondContact O-N 2.99Å; Q165-K167 PolarHBondContact O-N 2.62Å; Q165-K167 VanDerWaalsContact O-N 3.15Å; Q165-M168 CarbonylContact O-C 3.53Å; Q165-M168 WeakPolarHBondContact O-CA 3.5Å; Q165-M168 PolarHBondContact O-N 3.16Å; Q165-E169 WeakPolarHBondContact O-CB 3.45Å; Q165-E169 PolarHBondContact O-N 3.23Å; Q165-W173 HydrophobicContact CG-CZ2 4.16Å |
| 166 | V | 76.4 | Confident | 69.9 | Low | 36 Ų | 36 | 93.1 Ų | 93.1 | 22% | 0.218 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -55 | -35.2 | 177.3 | 169.9 | 0 | 0 | 0 | 0 | 112.6 | A62 I158 N162 M168 | A62-V166 HydrophobicContact CB-CB 4.48Å; A62-V166 HydrophobicContact CB-CG1 3.41Å; A62-V166 VanDerWaalsContact CB-CG1 3.41Å; A62-V166 HydrophobicContact CB-CG2 4.32Å; I158-V166 HydrophobicContact CD1-CG1 4.37Å; N162-V166 PolarHBondContact O-N 3.34Å; V166-M168 VanDerWaalsContact C-N 3.3Å; V166-M168 PolarHBondContact O-N 3.23Å |
| 167 | K | 68.6 | Low | 69.2 | Low | 169 Ų | 169 | 94.1 Ų | 94.1 | 74% | 0.735 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -71.1 | -21 | 175.3 | -80.4 | 173.7 | 178.3 | 178.3 | 0 | 114.3 | I163 Q165 | I163-K167 HydrophobicContact CG1-CD 4.38Å; I163-K167 WeakPolarHBondContact O-CB 3.24Å; I163-K167 WeakPolarHBondContact O-CD 3.46Å; I163-K167 WeakPolarHBondContact O-CG 3.48Å; I163-K167 PolarHBondContact O-N 2.65Å; Q165-K167 PolarHBondContact O-N 2.62Å; Q165-K167 VanDerWaalsContact O-N 3.15Å |
| 168 | M | 63.7 | Low | 68.4 | Low | 91 Ų | 91 | 94.1 Ų | 94.1 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -100.4 | -13.5 | 179 | -64.9 | 179.2 | -177.8 | 0 | 0 | 112.8 | R164 Q165 V166 S170 W173 | R164-M168 WeakPolarHBondContact O-CG 3.35Å; R164-M168 PolarHBondContact O-N 3.32Å; Q165-M168 CarbonylContact O-C 3.53Å; Q165-M168 WeakPolarHBondContact O-CA 3.5Å; Q165-M168 PolarHBondContact O-N 3.16Å; V166-M168 VanDerWaalsContact C-N 3.3Å; V166-M168 PolarHBondContact O-N 3.23Å; M168-S170 PolarHBondContact O-N 2.76Å; M168-W173 HydrophobicContact CB-CH2 4.22Å |
| 169 | E | 57 | Low | 68.2 | Low | 91 Ų | 91 | 91.9 Ų | 91.9 | 43% | 0.425 | 49% | 0.489 | S | S | . | . | trans | -83.7 | 93.4 | -169.2 | -164.1 | 159.1 | -144.1 | 0 | 0 | 112.6 | Q165 W173 | Q165-E169 WeakPolarHBondContact O-CB 3.45Å; Q165-E169 PolarHBondContact O-N 3.23Å; E169-W173 HydrophobicContact CB-CH2 4.42Å; E169-W173 HydrophobicContact CB-CZ2 3.72Å; E169-W173 HydrophobicContact CG-CZ2 3.65Å; E169-W173 PolarHBondContact OE1-NE1 2.96Å | ||
| 170 | S | 52.3 | Low | 68.1 | Low | 75 Ų | 75 | 98.5 Ų | 98.5 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -129.7 | 12.8 | 166.3 | 66.5 | 0 | 0 | 0 | 0 | 112.9 | M168 | M168-S170 PolarHBondContact O-N 2.76Š|
| 171 | S | 49 | Very low | 68 | Low | 13 Ų | 13 | 93.2 Ų | 93.2 | 9% | 0.091 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -147.5 | 133.7 | -170.9 | -53.2 | 0 | 0 | 0 | 0 | 110.3 | W173 I209 | S171-W173 PolarHBondContact O-N 3.45Å; S171-I209 WeakPolarHBondContact OG-CD1 3.19Å |
| 172 | D | 50.5 | Low | 68.2 | Low | 85 Ų | 85 | 89.3 Ų | 89.3 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | trans | -61 | 122.9 | 172.7 | -64.6 | -39.3 | 0 | 0 | 0 | 109.1 | ||||
| 173 | W | 48 | Very low | 68.6 | Low | 93 Ų | 93 | 87.7 Ų | 87.7 | 35% | 0.352 | 44% | 0.443 | S | S | . | . | trans | -70.7 | 151.8 | -169.6 | -51.9 | 104.4 | 0 | 0 | 0 | 113.7 | Q165 M168 E169 S171 L207 | Q165-W173 HydrophobicContact CG-CZ2 4.16Å; M168-W173 HydrophobicContact CB-CH2 4.22Å; E169-W173 HydrophobicContact CB-CH2 4.42Å; E169-W173 HydrophobicContact CB-CZ2 3.72Å; E169-W173 HydrophobicContact CG-CZ2 3.65Å; E169-W173 PolarHBondContact OE1-NE1 2.96Å; S171-W173 PolarHBondContact O-N 3.45Å; W173-L207 HydrophobicContact CE3-CD1 3.48Å; W173-L207 VanDerWaalsContact CE3-CD1 3.48Å; W173-L207 HydrophobicContact CZ3-CD1 3.77Å | ||
| 174 | T | 50.8 | Low | 68.8 | Low | 48 Ų | 48 | 89.5 Ų | 89.5 | 29% | 0.294 | 45% | 0.453 | S | S | . | . | trans | -141.9 | 160.4 | 160.1 | -25.2 | 0 | 0 | 0 | 0 | 109.3 | R210 | T174-R210 WeakPolarHBondContact OG1-CD 3.41Š| ||
| 175 | E | 55.3 | Low | 69.2 | Low | 169 Ų | 169 | 80.6 Ų | 80.6 | 79% | 0.79 | 42% | 0.421 | S | S | * | . | trans | -51.2 | 150.6 | 175.2 | -63.6 | -115 | 127.9 | 0 | 0 | 112.6 | A177 | E175-A177 PolarHBondContact O-N 3.12Š| ||
| 176 | P | 55.4 | Low | 69.8 | Low | 98 Ų | 98 | 80.6 Ų | 80.6 | 64% | 0.636 | 43% | 0.428 | S | S | * | . | trans | -65.8 | 97.1 | 176.4 | 28 | -34.5 | 0 | 0 | 0 | 110.6 | L207 | P176-L207 HydrophobicContact CB-CD2 3.94Å; P176-L207 HydrophobicContact CG-CD2 4.45Å | ||
| 177 | A | 58.1 | Low | 70.3 | Confident | 61 Ų | 61 | 81.9 Ų | 81.9 | 50% | 0.504 | 43% | 0.434 | S | S | . | . | trans | -70.9 | 133.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | E175 V179 V208 | E175-A177 PolarHBondContact O-N 3.12Å; A177-V179 VanDerWaalsContact C-N 3.35Å; A177-V179 HydrophobicContact CB-CG2 3.95Å; A177-V179 PolarHBondContact O-N 3.49Å; A177-V208 HydrophobicContact CB-CG2 4.17Å | ||
| 178 | D | 70.3 | Confident | 71.2 | Confident | 170 Ų | 170 | 78.3 Ų | 78.3 | 91% | 0.909 | 42% | 0.419 | S | S | * | . | trans | -68.9 | 91.7 | 171.7 | -176.6 | 17.5 | 0 | 0 | 0 | 109.5 | ||||
| 179 | V | 80.9 | Confident | 72.4 | Confident | 33 Ų | 33 | 74.1 Ų | 74.1 | 20% | 0.2 | 40% | 0.399 | C | S | . | . | trans | -106.2 | 113.3 | -174.1 | 171 | 0 | 0 | 0 | 0 | 109.9 | A177 V181 H200 V208 | A177-V179 VanDerWaalsContact C-N 3.35Å; A177-V179 HydrophobicContact CB-CG2 3.95Å; A177-V179 PolarHBondContact O-N 3.49Å; V179-V181 VanDerWaalsContact C-N 3.31Å; V179-V181 WeakPolarHBondContact CG1-O 3.42Å; V179-V181 PolarHBondContact O-N 3.03Å; V179-H200 HydrophobicContact CG1-CB 3.67Å; V179-H200 VanDerWaalsContact CG1-CD2 3.49Å; V179-H200 WeakPolarHBondContact CG1-CD2 3.47Å; V179-H200 HydrophobicContact CG2-CB 4.48Å; V179-V208 HydrophobicContact CG2-CG2 3.78Å | ||
| 180 | R | 87.8 | Confident | 74.1 | Confident | 188 Ų | 188 | 70.8 Ų | 70.8 | 71% | 0.709 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -64 | -30.1 | -179.7 | -167.4 | 173.6 | -172.5 | 169.2 | 5.5 | 114.3 | H32 V33 | H32-R180 HydrophobicContact CB-CG 4.47Å; H32-R180 PolarHBondContact O-NH1 2.98Å; V33-R180 HydrophobicContact CG2-CB 4.39Å |
| 181 | V | 90.4 | Very high | 75.9 | Confident | 12 Ų | 12 | 67.4 Ų | 67.4 | 7% | 0.073 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -141.1 | 120.9 | 179 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | L28 Q29 H32 V33 V179 | L28-V181 HydrophobicContact CB-CG1 3.95Å; L28-V181 HydrophobicContact CB-CG2 4.48Å; Q29-V181 HydrophobicContact CB-CG1 4.39Å; H32-V181 HydrophobicContact CB-CG2 3.96Å; V33-V181 HydrophobicContact CG2-CG2 4.26Å; V179-V181 VanDerWaalsContact C-N 3.31Å; V179-V181 WeakPolarHBondContact CG1-O 3.42Å; V179-V181 PolarHBondContact O-N 3.03Å |
| 182 | G | 90.8 | Very high | 77.9 | Confident | 30 Ų | 30 | 67.2 Ų | 67.2 | 31% | 0.309 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 155.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H200 | G182-H200 VanDerWaalsContact CA-O 3.32Å; G182-H200 WeakPolarHBondContact CA-O 3.45Å |
| 183 | C | 92 | Very high | 79.8 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.034 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 119.1 | 178.3 | -173.7 | 0 | 0 | 0 | 0 | 110.7 | T25 T185 L194 H200 V201 L202 | T25-C183 HydrophobicContact CG2-CB 3.66Å; C183-T185 PolarHBondContact O-N 2.84Å; C183-L194 HydrophobicContact CB-CD1 3.66Å; C183-L194 HydrophobicContact CB-CD2 4.32Å; C183-H200 PolarHBondContact N-O 2.97Å; C183-V201 WeakPolarHBondContact O-CA 3.17Å; C183-L202 PolarHBondContact O-N 2.99Å |
| 184 | L | 91.6 | Very high | 81.9 | Confident | 108 Ų | 108 | 58.8 Ų | 58.8 | 57% | 0.565 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 114.2 | 170 | -169.8 | 153.6 | 0 | 0 | 0 | 109.4 | L202 | L184-L202 WeakPolarHBondContact CA-O 3.24Å; L184-L202 HydrophobicContact CB-CB 4.36Å |
| 185 | T | 89.4 | Confident | 83.8 | Confident | 13 Ų | 13 | 57 Ų | 57 | 8% | 0.08 | 31% | 0.308 | C | S | . | . | trans | -154.7 | 142 | -179.5 | -179.9 | 0 | 0 | 0 | 0 | 112.4 | C183 D187 M190 Q191 L194 V201 | C183-T185 PolarHBondContact O-N 2.84Å; T185-D187 PolarHBondContact OG1-N 3.03Å; T185-M190 HydrophobicContact CG2-CB 4.01Å; T185-M190 WeakPolarHBondContact OG1-CE 3.48Å; T185-Q191 HydrophobicContact CG2-CG 3.98Å; T185-Q191 PolarHBondContact O-NE2 2.91Å; T185-L194 HydrophobicContact CG2-CD1 4Å; T185-V201 HydrophobicContact CG2-CG1 4.1Å | ||
| 186 | T | 86.9 | Confident | 85.4 | Confident | 105 Ų | 105 | 49.2 Ų | 49.2 | 64% | 0.644 | 27% | 0.271 | S | S | * | . | trans | -100.2 | -1.6 | 176.5 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | V204 | T186-V204 HydrophobicContact CG2-CG2 3.93Š| ||
| 187 | D | 88.4 | Confident | 87.1 | Confident | 63 Ų | 63 | 44.7 Ų | 44.7 | 34% | 0.337 | 24% | 0.242 | S | C | . | . | trans | -89.2 | 116.7 | -179.3 | -171.7 | -75.1 | 0 | 0 | 0 | 111.8 | T185 A189 M190 Q191 | T185-D187 PolarHBondContact OG1-N 3.03Å; D187-A189 PolarHBondContact O-N 3.33Å; D187-A189 VanDerWaalsContact O-N 3.17Å; D187-A189 WeakPolarHBondContact OD1-CA 3.45Å; D187-A189 VanDerWaalsContact OD1-CB 3.24Å; D187-A189 WeakPolarHBondContact OD1-CB 3.38Å; D187-A189 PolarHBondContact OD1-N 3.48Å; D187-M190 HydrophobicContact CB-CB 4.38Å; D187-M190 HydrophobicContact CB-CE 3.7Å; D187-M190 HydrophobicContact CB-CG 4.31Å; D187-M190 WeakPolarHBondContact O-CB 3.16Å; D187-M190 PolarHBondContact O-N 3.12Å; D187-M190 PolarHBondContact OD1-N 3Å; D187-Q191 WeakPolarHBondContact O-CG 3.2Å; D187-Q191 PolarHBondContact O-N 2.78Å | ||
| 188 | F | 87.4 | Confident | 88.6 | Confident | 93 Ų | 93 | 42.9 Ų | 42.9 | 41% | 0.408 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.5 | -32 | -178.3 | -62.3 | -67.3 | 0 | 0 | 0 | 114.3 | Q191 N192 | F188-Q191 PolarHBondContact O-N 3.5Å; F188-N192 WeakPolarHBondContact O-CB 3.44Å; F188-N192 PolarHBondContact O-N 3.03Å; F188-N192 PolarHBondContact O-ND2 3.16Å; F188-N192 PolarHBondContact O-OD1 3.47Å |
| 189 | A | 89.2 | Confident | 89.6 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 3% | 0.033 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.3 | -36.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D10 S13 L14 D187 V193 | D10-A189 HydrophobicContact CB-CB 4.21Å; S13-A189 VanDerWaalsContact OG-CB 3.22Å; S13-A189 WeakPolarHBondContact OG-CB 3.41Å; L14-A189 HydrophobicContact CD2-CB 3.92Å; L14-A189 HydrophobicContact CG-CB 4.34Å; D187-A189 PolarHBondContact O-N 3.33Å; D187-A189 VanDerWaalsContact O-N 3.17Å; D187-A189 WeakPolarHBondContact OD1-CA 3.45Å; D187-A189 VanDerWaalsContact OD1-CB 3.24Å; D187-A189 WeakPolarHBondContact OD1-CB 3.38Å; D187-A189 PolarHBondContact OD1-N 3.48Å; A189-V193 WeakPolarHBondContact O-CG2 3.45Å; A189-V193 PolarHBondContact O-N 3.47Å |
| 190 | M | 92 | Very high | 90 | Very high | 20 Ų | 20 | 36.8 Ų | 36.8 | 10% | 0.099 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.8 | -47.2 | 169.8 | -71.3 | -163.7 | -105.3 | 0 | 0 | 111 | L14 D18 L22 T185 D187 N192 V193 L194 | L14-M190 HydrophobicContact CD2-CG 3.69Å; D18-M190 HydrophobicContact CB-CE 4.1Å; D18-M190 HydrophobicContact CB-CG 4.01Å; D18-M190 HydrophobicContact CB-SD 3.81Å; D18-M190 WeakPolarHBondContact OD1-CE 3.42Å; L22-M190 HydrophobicContact CD2-CB 4.37Å; T185-M190 HydrophobicContact CG2-CB 4.01Å; T185-M190 WeakPolarHBondContact OG1-CE 3.48Å; D187-M190 HydrophobicContact CB-CB 4.38Å; D187-M190 HydrophobicContact CB-CE 3.7Å; D187-M190 HydrophobicContact CB-CG 4.31Å; D187-M190 WeakPolarHBondContact O-CB 3.16Å; D187-M190 PolarHBondContact O-N 3.12Å; D187-M190 PolarHBondContact OD1-N 3Å; M190-N192 PolarHBondContact O-N 3.17Å; M190-V193 PolarHBondContact O-N 2.86Å; M190-L194 WeakPolarHBondContact O-CB 3.42Å; M190-L194 WeakPolarHBondContact O-CD1 3.41Å; M190-L194 VanDerWaalsContact O-CG 3.27Å; M190-L194 WeakPolarHBondContact O-CG 3.42Å; M190-L194 PolarHBondContact O-N 2.91Å |
| 191 | Q | 90.8 | Very high | 90.1 | Very high | 5 Ų | 5 | 27.8 Ų | 27.8 | 2% | 0.023 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.4 | -47.9 | 179.4 | -61.6 | 176.6 | -11.8 | 0 | 0 | 111.8 | T185 D187 F188 V193 L194 I195 V201 | T185-Q191 HydrophobicContact CG2-CG 3.98Å; T185-Q191 PolarHBondContact O-NE2 2.91Å; D187-Q191 WeakPolarHBondContact O-CG 3.2Å; D187-Q191 PolarHBondContact O-N 2.78Å; F188-Q191 PolarHBondContact O-N 3.5Å; Q191-V193 VanDerWaalsContact C-N 3.31Å; Q191-V193 PolarHBondContact O-N 3.06Å; Q191-L194 PolarHBondContact O-N 2.85Å; Q191-I195 VanDerWaalsContact O-CG1 3.3Å; Q191-I195 WeakPolarHBondContact O-CG1 3.4Å; Q191-I195 PolarHBondContact O-N 2.56Å; Q191-V201 HydrophobicContact CB-CG1 4.4Å; Q191-V201 HydrophobicContact CG-CG1 3.85Å |
| 192 | N | 89.4 | Confident | 90 | Very high | 9 Ų | 9 | 29 Ų | 29 | 5% | 0.048 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.1 | -44.4 | 177.4 | -72.2 | -13.2 | 0 | 0 | 0 | 112.3 | D10 F188 M190 Q196 | D10-N192 PolarHBondContact OD1-ND2 3.1Å; F188-N192 WeakPolarHBondContact O-CB 3.44Å; F188-N192 PolarHBondContact O-N 3.03Å; F188-N192 PolarHBondContact O-ND2 3.16Å; F188-N192 PolarHBondContact O-OD1 3.47Å; M190-N192 PolarHBondContact O-N 3.17Å; N192-Q196 WeakPolarHBondContact O-CB 3.4Å; N192-Q196 WeakPolarHBondContact O-CG 3.37Å; N192-Q196 PolarHBondContact O-N 3.04Å; N192-Q196 PolarHBondContact O-NE2 3.4Å |
| 193 | V | 91.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.2 | -43.9 | -179.3 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | F4 T8 D10 L14 L22 A189 M190 Q191 Q196 M197 | F4-V193 HydrophobicContact CD1-CG1 4.25Å; T8-V193 HydrophobicContact CG2-CG2 4.46Å; D10-V193 HydrophobicContact CB-CG2 3.83Å; L14-V193 HydrophobicContact CD1-CG2 4.27Å; L22-V193 HydrophobicContact CD1-CG1 4.16Å; L22-V193 HydrophobicContact CD2-CG1 4.48Å; A189-V193 WeakPolarHBondContact O-CG2 3.45Å; A189-V193 PolarHBondContact O-N 3.47Å; M190-V193 PolarHBondContact O-N 2.86Å; Q191-V193 VanDerWaalsContact C-N 3.31Å; Q191-V193 PolarHBondContact O-N 3.06Å; V193-Q196 PolarHBondContact O-N 3.13Å; V193-M197 HydrophobicContact CG1-CG 4.29Å; V193-M197 HydrophobicContact CG1-SD 3.78Å; V193-M197 WeakPolarHBondContact O-CB 3.22Å; V193-M197 VanDerWaalsContact O-CG 3.3Å; V193-M197 WeakPolarHBondContact O-CG 3.33Å; V193-M197 PolarHBondContact O-N 3.04Å |
| 194 | L | 92.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.7 | -49.4 | 179.5 | -72.9 | 162.7 | 0 | 0 | 0 | 111.6 | L22 C183 T185 M190 Q191 Q196 M197 G198 L199 V201 | L22-L194 HydrophobicContact CD2-CD1 3.89Å; L22-L194 HydrophobicContact CD2-CD2 3.57Å; L22-L194 HydrophobicContact CD2-CG 3.44Å; L22-L194 VanDerWaalsContact CD2-CG 3.44Å; C183-L194 HydrophobicContact CB-CD1 3.66Å; C183-L194 HydrophobicContact CB-CD2 4.32Å; T185-L194 HydrophobicContact CG2-CD1 4Å; M190-L194 WeakPolarHBondContact O-CB 3.42Å; M190-L194 WeakPolarHBondContact O-CD1 3.41Å; M190-L194 VanDerWaalsContact O-CG 3.27Å; M190-L194 WeakPolarHBondContact O-CG 3.42Å; M190-L194 PolarHBondContact O-N 2.91Å; Q191-L194 PolarHBondContact O-N 2.85Å; L194-Q196 PolarHBondContact O-N 3.12Å; L194-M197 PolarHBondContact O-N 2.83Å; L194-M197 VanDerWaalsContact O-N 3.12Å; L194-G198 PolarHBondContact O-N 2.89Å; L194-G198 VanDerWaalsContact O-N 3.15Å; L194-L199 CarbonylContact C-O 3.59Å; L194-L199 HydrophobicContact CB-CB 4.22Å; L194-L199 HydrophobicContact CD2-CB 3.72Å; L194-L199 HydrophobicContact CD2-CD1 3.61Å; L194-L199 HydrophobicContact CD2-CG 4.31Å; L194-L199 PolarHBondContact O-N 3.4Å; L194-V201 HydrophobicContact CB-CG2 3.43Å; L194-V201 VanDerWaalsContact CB-CG2 3.43Å; L194-V201 HydrophobicContact CD1-CG2 3.86Å; L194-V201 HydrophobicContact CG-CG2 4.27Å |
| 195 | I | 90.4 | Very high | 88.3 | Confident | 11 Ų | 11 | 29 Ų | 29 | 6% | 0.056 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.6 | -46.6 | 177.8 | -63.6 | 169 | 0 | 0 | 0 | 110.4 | Q191 M197 G198 V201 I209 A212 V249 G250 | Q191-I195 VanDerWaalsContact O-CG1 3.3Å; Q191-I195 WeakPolarHBondContact O-CG1 3.4Å; Q191-I195 PolarHBondContact O-N 2.56Å; I195-M197 VanDerWaalsContact C-N 3.29Å; I195-M197 PolarHBondContact O-N 2.62Å; I195-G198 PolarHBondContact O-N 2.91Å; I195-V201 HydrophobicContact CG1-CG2 3.95Å; I195-I209 HydrophobicContact CD1-CG2 4.4Å; I195-A212 HydrophobicContact CD1-CB 3.78Å; I195-V249 HydrophobicContact CB-CG1 4.28Å; I195-V249 HydrophobicContact CG2-CG1 3.87Å; I195-G250 WeakPolarHBondContact CG2-O 3.48Å |
| 196 | Q | 89.4 | Confident | 87.7 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.5 | -30.5 | 177 | -77.5 | 171.5 | 79.5 | 0 | 0 | 113.5 | F4 T8 K39 N192 V193 L194 G198 V249 | F4-Q196 HydrophobicContact CE1-CB 3.71Å; F4-Q196 HydrophobicContact CZ-CB 3.91Å; F4-Q196 WeakPolarHBondContact CZ-O 3.07Å; T8-Q196 HydrophobicContact CG2-CB 4.47Å; K39-Q196 WeakPolarHBondContact CD-O 3.18Å; N192-Q196 WeakPolarHBondContact O-CB 3.4Å; N192-Q196 WeakPolarHBondContact O-CG 3.37Å; N192-Q196 PolarHBondContact O-N 3.04Å; N192-Q196 PolarHBondContact O-NE2 3.4Å; V193-Q196 PolarHBondContact O-N 3.13Å; L194-Q196 PolarHBondContact O-N 3.12Å; Q196-G198 VanDerWaalsContact C-N 3.27Å; Q196-G198 PolarHBondContact O-N 2.99Å; Q196-V249 HydrophobicContact CG-CG1 4.35Å |
| 197 | M | 91.3 | Very high | 87.4 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.02 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -76.1 | -11 | 174.3 | -75.2 | -177.5 | 57 | 0 | 0 | 113.5 | V1 F4 Y26 L38 K39 V193 L194 I195 L199 | V1-M197 HydrophobicContact CG2-CE 4.22Å; F4-M197 HydrophobicContact CD1-CG 3.54Å; F4-M197 HydrophobicContact CD1-SD 4.14Å; F4-M197 HydrophobicContact CD2-CG 3.98Å; F4-M197 HydrophobicContact CE1-CB 4.47Å; F4-M197 HydrophobicContact CE1-CG 3.45Å; F4-M197 VanDerWaalsContact CE1-CG 3.45Å; F4-M197 HydrophobicContact CE2-CG 3.88Å; F4-M197 HydrophobicContact CG-CG 3.82Å; F4-M197 HydrophobicContact CG-SD 4.24Å; F4-M197 HydrophobicContact CZ-CB 4.38Å; F4-M197 HydrophobicContact CZ-CG 3.63Å; Y26-M197 HydrophobicContact CD2-CE 3.24Å; Y26-M197 HydrophobicContact CE2-CE 3.75Å; Y26-M197 HydrophobicContact CG-CE 3.99Å; L38-M197 WeakPolarHBondContact CA-O 3.4Å; L38-M197 WeakPolarHBondContact CD2-O 3.31Å; K39-M197 PolarHBondContact N-O 3.28Å; V193-M197 HydrophobicContact CG1-CG 4.29Å; V193-M197 HydrophobicContact CG1-SD 3.78Å; V193-M197 WeakPolarHBondContact O-CB 3.22Å; V193-M197 VanDerWaalsContact O-CG 3.3Å; V193-M197 WeakPolarHBondContact O-CG 3.33Å; V193-M197 PolarHBondContact O-N 3.04Å; L194-M197 PolarHBondContact O-N 2.83Å; L194-M197 VanDerWaalsContact O-N 3.12Å; I195-M197 VanDerWaalsContact C-N 3.29Å; I195-M197 PolarHBondContact O-N 2.62Å; M197-L199 HydrophobicContact CB-CD1 4.31Å; M197-L199 HydrophobicContact CB-CG 4.43Å; M197-L199 HydrophobicContact CE-CD1 3.96Å |
| 198 | G | 89.4 | Confident | 87.2 | Confident | 22 Ų | 22 | 25.3 Ų | 25.3 | 23% | 0.227 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 20.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L194 I195 Q196 | L194-G198 PolarHBondContact O-N 2.89Å; L194-G198 VanDerWaalsContact O-N 3.15Å; I195-G198 PolarHBondContact O-N 2.91Å; Q196-G198 VanDerWaalsContact C-N 3.27Å; Q196-G198 PolarHBondContact O-N 2.99Å |
| 199 | L | 90.5 | Very high | 87 | Confident | 8 Ų | 8 | 21.2 Ų | 21.2 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | trans | -95.6 | 138.2 | 176.8 | -74.5 | 169.3 | 0 | 0 | 0 | 111.1 | Y26 Q29 L38 L194 M197 | Y26-L199 HydrophobicContact CD2-CD1 4.38Å; Q29-L199 HydrophobicContact CB-CD2 3.56Å; Q29-L199 HydrophobicContact CG-CD2 3.65Å; L38-L199 HydrophobicContact CD2-CD1 4.42Å; L38-L199 HydrophobicContact CD2-CD2 3.74Å; L38-L199 HydrophobicContact CD2-CG 3.73Å; L194-L199 CarbonylContact C-O 3.59Å; L194-L199 HydrophobicContact CB-CB 4.22Å; L194-L199 HydrophobicContact CD2-CB 3.72Å; L194-L199 HydrophobicContact CD2-CD1 3.61Å; L194-L199 HydrophobicContact CD2-CG 4.31Å; L194-L199 PolarHBondContact O-N 3.4Å; M197-L199 HydrophobicContact CB-CD1 4.31Å; M197-L199 HydrophobicContact CB-CG 4.43Å; M197-L199 HydrophobicContact CE-CD1 3.96Å | ||
| 200 | H | 89.8 | Confident | 86.7 | Confident | 67 Ų | 67 | 27.2 Ų | 27.2 | 31% | 0.31 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 132.7 | 178.6 | -61.3 | -67.2 | 0 | 0 | 0 | 112 | V179 G182 C183 | V179-H200 HydrophobicContact CG1-CB 3.67Å; V179-H200 VanDerWaalsContact CG1-CD2 3.49Å; V179-H200 WeakPolarHBondContact CG1-CD2 3.47Å; V179-H200 HydrophobicContact CG2-CB 4.48Å; G182-H200 VanDerWaalsContact CA-O 3.32Å; G182-H200 WeakPolarHBondContact CA-O 3.45Å; C183-H200 PolarHBondContact N-O 2.97Å |
| 201 | V | 89.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 132.5 | 174.9 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | C183 T185 Q191 L194 I195 V208 I209 | C183-V201 WeakPolarHBondContact O-CA 3.17Å; T185-V201 HydrophobicContact CG2-CG1 4.1Å; Q191-V201 HydrophobicContact CB-CG1 4.4Å; Q191-V201 HydrophobicContact CG-CG1 3.85Å; L194-V201 HydrophobicContact CB-CG2 3.43Å; L194-V201 VanDerWaalsContact CB-CG2 3.43Å; L194-V201 HydrophobicContact CD1-CG2 3.86Å; L194-V201 HydrophobicContact CG-CG2 4.27Å; I195-V201 HydrophobicContact CG1-CG2 3.95Å; V201-V208 WeakPolarHBondContact O-CA 3.48Å; V201-I209 HydrophobicContact CB-CB 4.27Å; V201-I209 HydrophobicContact CG1-CB 4.41Å; V201-I209 HydrophobicContact CG1-CD1 3.92Å; V201-I209 PolarHBondContact O-N 2.81Å |
| 202 | L | 88.6 | Confident | 85.7 | Confident | 37 Ų | 37 | 32.1 Ų | 32.1 | 19% | 0.194 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 135.9 | 176.7 | -59.8 | 178.8 | 0 | 0 | 0 | 110.5 | C183 L184 L207 V208 | C183-L202 PolarHBondContact O-N 2.99Å; L184-L202 WeakPolarHBondContact CA-O 3.24Å; L184-L202 HydrophobicContact CB-CB 4.36Å; L202-L207 WeakPolarHBondContact CA-O 3.24Å; L202-V208 HydrophobicContact CD2-CB 4.5Å; L202-V208 HydrophobicContact CD2-CG2 3.71Å |
| 203 | S | 82.7 | Confident | 85.5 | Confident | 8 Ų | 8 | 35.7 Ų | 35.7 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | trans | -73.7 | 168 | 166.2 | -175 | 0 | 0 | 0 | 0 | 110.8 | G205 G206 L207 | S203-G205 PolarHBondContact O-N 3.03Å; S203-G206 PolarHBondContact O-N 3.31Å; S203-L207 PolarHBondContact N-O 2.59Å | ||
| 204 | V | 81.1 | Confident | 85.2 | Confident | 93 Ų | 93 | 35.8 Ų | 35.8 | 56% | 0.564 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28 | 175.1 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | T186 G206 | T186-V204 HydrophobicContact CG2-CG2 3.93Å; V204-G206 VanDerWaalsContact C-N 3.28Å; V204-G206 PolarHBondContact O-N 2.78Å |
| 205 | G | 73.6 | Confident | 85.1 | Confident | 42 Ų | 42 | 38.9 Ų | 38.9 | 43% | 0.433 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 6.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | S203 L207 | S203-G205 PolarHBondContact O-N 3.03Å; G205-L207 VanDerWaalsContact C-N 3.26Å; G205-L207 PolarHBondContact O-N 2.93Å |
| 206 | G | 76.8 | Confident | 85.2 | Confident | 44 Ų | 44 | 39.2 Ų | 39.2 | 45% | 0.454 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 77.6 | 1.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | S203 V204 | S203-G206 PolarHBondContact O-N 3.31Å; V204-G206 VanDerWaalsContact C-N 3.28Å; V204-G206 PolarHBondContact O-N 2.78Å |
| 207 | L | 81.1 | Confident | 85.4 | Confident | 46 Ų | 46 | 39.7 Ų | 39.7 | 24% | 0.241 | 21% | 0.21 | C | C | . | . | trans | -85.3 | 145.6 | -179.6 | -62.5 | 174 | 0 | 0 | 0 | 112 | W173 P176 L202 S203 G205 | W173-L207 HydrophobicContact CE3-CD1 3.48Å; W173-L207 VanDerWaalsContact CE3-CD1 3.48Å; W173-L207 HydrophobicContact CZ3-CD1 3.77Å; P176-L207 HydrophobicContact CB-CD2 3.94Å; P176-L207 HydrophobicContact CG-CD2 4.45Å; L202-L207 WeakPolarHBondContact CA-O 3.24Å; S203-L207 PolarHBondContact N-O 2.59Å; G205-L207 VanDerWaalsContact C-N 3.26Å; G205-L207 PolarHBondContact O-N 2.93Å | ||
| 208 | V | 84.9 | Confident | 85.6 | Confident | 13 Ų | 13 | 42.8 Ų | 42.8 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -79 | 126.2 | -178.3 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | A177 V179 V201 L202 R210 | A177-V208 HydrophobicContact CB-CG2 4.17Å; V179-V208 HydrophobicContact CG2-CG2 3.78Å; V201-V208 WeakPolarHBondContact O-CA 3.48Å; L202-V208 HydrophobicContact CD2-CB 4.5Å; L202-V208 HydrophobicContact CD2-CG2 3.71Å; V208-R210 PolarHBondContact O-N 3.16Å |
| 209 | I | 83.6 | Confident | 85.8 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | trans | -85.3 | 105.2 | 177 | -58.4 | 173 | 0 | 0 | 0 | 108.8 | S171 I195 V201 | S171-I209 WeakPolarHBondContact OG-CD1 3.19Å; I195-I209 HydrophobicContact CD1-CG2 4.4Å; V201-I209 HydrophobicContact CB-CB 4.27Å; V201-I209 HydrophobicContact CG1-CB 4.41Å; V201-I209 HydrophobicContact CG1-CD1 3.92Å; V201-I209 PolarHBondContact O-N 2.81Å | ||
| 210 | R | 81.5 | Confident | 86 | Confident | 129 Ų | 129 | 45.2 Ų | 45.2 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | trans | -83.2 | -33.4 | 175 | -69.8 | -176.2 | 68.1 | 160.9 | 0.8 | 113.6 | T174 V208 D251 | T174-R210 WeakPolarHBondContact OG1-CD 3.41Å; V208-R210 PolarHBondContact O-N 3.16Å; R210-D251 HydrophobicContact CB-CB 4.36Å; R210-D251 IonicContact CZ-OD2 3.32Å; R210-D251 IonicContact NE-OD2 3.1Å; R210-D251 PolarHBondContact NE-OD2 2.81Å; R210-D251 VanDerWaalsContact NE-OD2 3.1Å; R210-D251 IonicContact NH2-OD2 2.7Å; R210-D251 PolarHBondContact NH2-OD2 3.5Å; R210-D251 VanDerWaalsContact O-CA 3.32Å; R210-D251 WeakPolarHBondContact O-CA 3.45Å; R210-D251 WeakPolarHBondContact O-CB 3.31Å; R210-D251 PolarHBondContact O-N 2.66Å; R210-D251 VanDerWaalsContact O-N 3.14Å | ||
| 211 | R | 82.3 | Confident | 86.2 | Confident | 124 Ų | 124 | 44.6 Ų | 44.6 | 47% | 0.468 | 23% | 0.233 | S | C | . | . | trans | -137.5 | 124.2 | -173.1 | -165.6 | 173.7 | -69.6 | 167 | -0.4 | 109.3 | T248 V249 | R211-T248 HydrophobicContact CG-CG2 3.62Å; R211-V249 WeakPolarHBondContact CA-O 3.3Å; R211-V249 WeakPolarHBondContact CG-O 3.26Å | ||
| 212 | A | 80.5 | Confident | 86.5 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.033 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 112.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | I195 T248 V249 | I195-A212 HydrophobicContact CD1-CB 3.78Å; A212-T248 WeakPolarHBondContact O-CA 3.23Å; A212-V249 PolarHBondContact N-O 3.08Å; A212-V249 PolarHBondContact O-N 2.83Å |
| 213 | R | 84.6 | Confident | 86.7 | Confident | 84 Ų | 84 | 50.9 Ų | 50.9 | 32% | 0.317 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 105 | 170.3 | -173.1 | -179.1 | -175.8 | 144.8 | 6.4 | 109.7 | H60 V247 | H60-R213 PolarHBondContact NE2-NH1 2.98Å; R213-V247 CarbonylContact C-O 3.5Å; R213-V247 WeakPolarHBondContact CA-O 3.35Å |
| 214 | S | 85.7 | Confident | 87.1 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 179.1 | 179.1 | 64 | 0 | 0 | 0 | 0 | 111.6 | V247 | S214-V247 PolarHBondContact N-O 3.26Å; S214-V247 PolarHBondContact O-N 3.28Å; S214-V247 VanDerWaalsContact O-O 3.12Å |
| 215 | Y | 89.4 | Confident | 87.6 | Confident | 66 Ų | 66 | 54.5 Ų | 54.5 | 26% | 0.259 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 141.9 | 170.9 | -65.6 | -82.3 | 0 | 0 | 0 | 109.8 | K244 L245 A246 | Y215-K244 HydrophobicContact CD1-CD 4.12Å; Y215-K244 HydrophobicContact CD1-CG 3.88Å; Y215-K244 HydrophobicContact CE1-CD 4.49Å; Y215-K244 HydrophobicContact CG-CD 4.37Å; Y215-K244 HydrophobicContact CG-CG 4.29Å; Y215-L245 WeakPolarHBondContact CA-O 3.32Å; Y215-A246 HydrophobicContact CD1-CB 3.76Å; Y215-A246 HydrophobicContact CE1-CB 3.66Å |
| 216 | I | 92 | Very high | 88.3 | Confident | 17 Ų | 17 | 53.1 Ų | 53.1 | 9% | 0.087 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 163.5 | 171.5 | 68.9 | 175.2 | 0 | 0 | 0 | 110.1 | T225 L245 V247 | I216-T225 HydrophobicContact CD1-CG2 3.61Å; I216-L245 HydrophobicContact CD1-CD2 4.44Å; I216-L245 HydrophobicContact CG1-CB 4.19Å; I216-L245 HydrophobicContact CG1-CD2 4.47Å; I216-L245 PolarHBondContact N-O 3.45Å; I216-L245 PolarHBondContact O-N 3.38Å; I216-V247 HydrophobicContact CD1-CG2 3.67Å; I216-V247 HydrophobicContact CG1-CG2 3.72Å; I216-V247 HydrophobicContact CG2-CG2 4.32Å |
| 217 | L | 94.4 | Very high | 88.8 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.3 | 170.4 | -63.5 | -179.4 | 0 | 0 | 0 | 109.7 | T225 T226 N228 M229 K231 L242 K243 K244 | L217-T225 CarbonylContact O-C 3.58Å; L217-T225 WeakPolarHBondContact O-CA 3.37Å; L217-T226 HydrophobicContact CB-CG2 3.9Å; L217-T226 PolarHBondContact N-O 3.12Å; L217-T226 PolarHBondContact O-N 3.11Å; L217-N228 WeakPolarHBondContact CD1-O 3.29Å; L217-M229 HydrophobicContact CD2-CE 3.97Å; L217-M229 HydrophobicContact CD2-SD 4.11Å; L217-M229 HydrophobicContact CG-CE 4.32Å; L217-M229 HydrophobicContact CG-SD 3.83Å; L217-K231 HydrophobicContact CD1-CB 4.32Å; L217-K231 WeakPolarHBondContact CD1-O 3.35Å; L217-L242 HydrophobicContact CB-CB 4.15Å; L217-L242 HydrophobicContact CB-CD1 4.13Å; L217-L242 HydrophobicContact CB-CD2 4.17Å; L217-L242 HydrophobicContact CB-CG 4.38Å; L217-L242 HydrophobicContact CD1-CB 4.36Å; L217-L242 HydrophobicContact CD1-CD1 3.8Å; L217-K243 WeakPolarHBondContact CA-O 3.36Å; L217-K244 HydrophobicContact CD2-CB 4.3Å |
| 218 | R | 94.6 | Very high | 89.1 | Confident | 68 Ų | 68 | 52.7 Ų | 52.7 | 26% | 0.257 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130.4 | 172.7 | -173.2 | 173.2 | 178.6 | -98.7 | 8.3 | 110.3 | T225 K243 L245 | R218-T225 HydrophobicContact CB-CG2 4.08Å; R218-T225 HydrophobicContact CG-CG2 3.96Å; R218-K243 PolarHBondContact N-O 3.32Å; R218-K243 PolarHBondContact O-N 3.32Å; R218-L245 HydrophobicContact CB-CD2 4.42Å |
| 219 | C | 95.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 128 | 170.6 | -177.8 | 0 | 0 | 0 | 0 | 110 | A221 C222 F223 R224 C234 T241 L242 | C219-A221 VanDerWaalsContact C-N 3.31Å; C219-A221 PolarHBondContact SG-N 3.27Å; C219-A221 VanDerWaalsContact SG-N 3.41Å; C219-C222 PolarHBondContact SG-N 3.45Å; C219-C222 PolarHBondContact SG-SG 2.58Å; C219-F223 WeakPolarHBondContact O-CA 3.4Å; C219-F223 PolarHBondContact O-N 3.02Å; C219-F223 VanDerWaalsContact O-N 3.17Å; C219-R224 WeakPolarHBondContact CB-O 3.3Å; C219-R224 PolarHBondContact N-O 3.49Å; C219-C234 HydrophobicContact CB-CB 4.23Å; C219-T241 PolarHBondContact SG-OG1 3.41Å; C219-L242 HydrophobicContact CB-CD2 4.09Å |
| 220 | H | 94.1 | Very high | 89.6 | Confident | 81 Ų | 81 | 60.8 Ų | 60.8 | 38% | 0.375 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -7.7 | 175.8 | 70.3 | -90.5 | 0 | 0 | 0 | 114 | F223 T241 M266 | H220-F223 WeakPolarHBondContact O-CE1 3.5Å; H220-T241 VanDerWaalsContact CE1-CB 3.46Å; H220-T241 WeakPolarHBondContact CE1-CB 3.42Å; H220-T241 PolarHBondContact N-O 2.85Å; H220-T241 VanDerWaalsContact N-O 3.12Å; H220-T241 PolarHBondContact ND1-O 2.82Å; H220-M266 HydrophobicContact CB-CE 3.91Å; H220-M266 HydrophobicContact CB-SD 4.17Å |
| 221 | A | 94.5 | Very high | 90.1 | Very high | 55 Ų | 55 | 57.2 Ų | 57.2 | 46% | 0.455 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -47.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | C219 T241 | C219-A221 VanDerWaalsContact C-N 3.31Å; C219-A221 PolarHBondContact SG-N 3.27Å; C219-A221 VanDerWaalsContact SG-N 3.41Å; A221-T241 HydrophobicContact CB-CG2 4.23Å |
| 222 | C | 95.4 | Very high | 90.6 | Very high | 42 Ų | 42 | 53.7 Ų | 53.7 | 28% | 0.284 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 6 | 178 | 72 | 0 | 0 | 0 | 0 | 113.9 | C219 R224 C234 C237 | C219-C222 PolarHBondContact SG-N 3.45Å; C219-C222 PolarHBondContact SG-SG 2.58Å; C222-R224 PolarHBondContact O-N 2.2Å; C222-C234 VanDerWaalsContact SG-SG 3.62Å; C222-C237 HydrophobicContact CB-CB 4.25Å; C222-C237 VanDerWaalsContact SG-SG 3.67Å |
| 223 | F | 92.9 | Very high | 91.3 | Very high | 127 Ų | 127 | 53.8 Ų | 53.8 | 56% | 0.557 | 28% | 0.278 | S | S | * | . | trans | 60.7 | -7 | 176.9 | -49.6 | -52.4 | 0 | 0 | 0 | 117.5 | C219 H220 | C219-F223 WeakPolarHBondContact O-CA 3.4Å; C219-F223 PolarHBondContact O-N 3.02Å; C219-F223 VanDerWaalsContact O-N 3.17Å; H220-F223 WeakPolarHBondContact O-CE1 3.5Å | ||
| 224 | R | 91.1 | Very high | 91.8 | Very high | 129 Ų | 129 | 49.9 Ų | 49.9 | 49% | 0.487 | 26% | 0.264 | S | S | . | . | trans | -63.1 | 138.3 | 175.5 | -161.9 | 72.8 | -157 | -179.1 | 5.7 | 111.3 | C219 C222 H236 | C219-R224 WeakPolarHBondContact CB-O 3.3Å; C219-R224 PolarHBondContact N-O 3.49Å; C222-R224 PolarHBondContact O-N 2.2Å; R224-H236 HydrophobicContact CB-CB 4.3Å; R224-H236 HydrophobicContact CG-CB 4.41Å | ||
| 225 | T | 90.6 | Very high | 92.1 | Very high | 48 Ų | 48 | 53.5 Ų | 53.5 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 155.6 | 176 | 46.3 | 0 | 0 | 0 | 0 | 111.7 | I216 L217 R218 | I216-T225 HydrophobicContact CD1-CG2 3.61Å; L217-T225 CarbonylContact O-C 3.58Å; L217-T225 WeakPolarHBondContact O-CA 3.37Å; R218-T225 HydrophobicContact CB-CG2 4.08Å; R218-T225 HydrophobicContact CG-CG2 3.96Å |
| 226 | T | 89.3 | Confident | 92.3 | Very high | 12 Ų | 12 | 56.8 Ų | 56.8 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 135.9 | 164 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | L217 N228 L242 | L217-T226 HydrophobicContact CB-CG2 3.9Å; L217-T226 PolarHBondContact N-O 3.12Å; L217-T226 PolarHBondContact O-N 3.11Å; T226-N228 VanDerWaalsContact C-N 3.32Å; T226-N228 PolarHBondContact OG1-N 3.1Å; T226-L242 HydrophobicContact CG2-CD1 4.18Å; T226-L242 HydrophobicContact CG2-CD2 4.34Å |
| 227 | S | 86.3 | Confident | 92.4 | Very high | 25 Ų | 25 | 58 Ų | 58 | 18% | 0.175 | 31% | 0.314 | C | S | . | . | trans | -73.6 | -19.3 | 173.6 | 36.4 | 0 | 0 | 0 | 0 | 113 | S13 M229 | S13-S227 WeakPolarHBondContact CB-OG 3.29Å; S13-S227 PolarHBondContact OG-OG 2.99Å; S227-M229 PolarHBondContact O-N 3.2Å | ||
| 228 | N | 88 | Confident | 92.4 | Very high | 56 Ų | 56 | 59 Ų | 59 | 30% | 0.299 | 33% | 0.328 | S | S | . | . | trans | -76.4 | 97.6 | -177.4 | -173 | -26 | 0 | 0 | 0 | 111.8 | L217 T226 S230 K231 | L217-N228 WeakPolarHBondContact CD1-O 3.29Å; T226-N228 VanDerWaalsContact C-N 3.32Å; T226-N228 PolarHBondContact OG1-N 3.1Å; N228-S230 PolarHBondContact O-N 3.35Å; N228-S230 VanDerWaalsContact O-N 3.13Å; N228-S230 WeakPolarHBondContact OD1-CB 3.47Å; N228-S230 PolarHBondContact OD1-N 3.3Å; N228-S230 PolarHBondContact OD1-OG 3.14Å; N228-K231 HydrophobicContact CB-CG 4.18Å; N228-K231 PolarHBondContact O-N 3.29Å | ||
| 229 | M | 88.6 | Confident | 92.5 | Very high | 89 Ų | 89 | 60.1 Ų | 60.1 | 44% | 0.438 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -8.1 | -177.4 | -64.4 | -57.8 | -66.4 | 0 | 0 | 115.4 | L217 S227 K244 | L217-M229 HydrophobicContact CD2-CE 3.97Å; L217-M229 HydrophobicContact CD2-SD 4.11Å; L217-M229 HydrophobicContact CG-CE 4.32Å; L217-M229 HydrophobicContact CG-SD 3.83Å; S227-M229 PolarHBondContact O-N 3.2Å; M229-K244 HydrophobicContact CE-CD 4.15Å; M229-K244 HydrophobicContact CE-CG 4.05Å |
| 230 | S | 90.3 | Very high | 92.4 | Very high | 102 Ų | 102 | 66.6 Ų | 66.6 | 71% | 0.713 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -15.4 | 176.1 | 73.8 | 0 | 0 | 0 | 0 | 113.9 | N228 | N228-S230 PolarHBondContact O-N 3.35Å; N228-S230 VanDerWaalsContact O-N 3.13Å; N228-S230 WeakPolarHBondContact OD1-CB 3.47Å; N228-S230 PolarHBondContact OD1-N 3.3Å; N228-S230 PolarHBondContact OD1-OG 3.14Å |
| 231 | K | 91.9 | Very high | 92.5 | Very high | 55 Ų | 55 | 63.7 Ų | 63.7 | 24% | 0.239 | 36% | 0.358 | C | S | . | . | trans | -73.2 | 128.5 | -175.5 | -71.3 | -75 | -168.1 | 165.9 | 0 | 111.9 | L217 N228 L242 E291 | L217-K231 HydrophobicContact CD1-CB 4.32Å; L217-K231 WeakPolarHBondContact CD1-O 3.35Å; N228-K231 HydrophobicContact CB-CG 4.18Å; N228-K231 PolarHBondContact O-N 3.29Å; K231-L242 HydrophobicContact CB-CD1 3.79Å; K231-E291 IonicContact NZ-OE1 2.73Å; K231-E291 PolarHBondContact NZ-OE1 3.31Å; K231-E291 IonicContact NZ-OE2 2.6Å; K231-E291 PolarHBondContact NZ-OE2 3.46Å | ||
| 232 | A | 92.7 | Very high | 92.5 | Very high | 49 Ų | 49 | 62.2 Ų | 62.2 | 41% | 0.405 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -91.4 | -33.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q240 | A232-Q240 WeakPolarHBondContact O-CG 3.31Š|
| 233 | F | 95.9 | Very high | 92.5 | Very high | 7 Ų | 7 | 63.6 Ų | 63.6 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -104.1 | 145.5 | -177.7 | -59.8 | -78.9 | 0 | 0 | 0 | 110.8 | G238 Q240 L242 H288 L289 E291 | F233-G238 VanDerWaalsContact CD1-O 3.31Å; F233-G238 WeakPolarHBondContact CD1-O 3.14Å; F233-Q240 HydrophobicContact CD1-CB 3.78Å; F233-Q240 HydrophobicContact CD1-CG 4.14Å; F233-Q240 HydrophobicContact CE1-CB 3.76Å; F233-Q240 HydrophobicContact CE1-CG 4.02Å; F233-L242 WeakPolarHBondContact O-CD1 3.42Å; F233-H288 AromaticContact CE2-CD2 3.82Å; F233-H288 AromaticContact CE2-CE1 3.8Å; F233-H288 AromaticContact CE2-NE2 3.56Å; F233-H288 AromaticContact CZ-CD2 3.89Å; F233-L289 VanDerWaalsContact CE1-C 3.47Å; F233-L289 WeakPolarHBondContact CE1-O 3.23Å; F233-E291 HydrophobicContact CB-CB 4.15Å; F233-E291 HydrophobicContact CD2-CB 3.89Å; F233-E291 HydrophobicContact CD2-CG 4.34Å; F233-E291 HydrophobicContact CG-CB 4.26Å |
| 234 | C | 95.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.014 | 33% | 0.332 | C | S | . | . | trans | -72.4 | 124.2 | 177.5 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | C219 C222 H236 C237 G238 N239 L242 | C219-C234 HydrophobicContact CB-CB 4.23Å; C222-C234 VanDerWaalsContact SG-SG 3.62Å; C234-H236 PolarHBondContact O-N 3.31Å; C234-H236 VanDerWaalsContact O-N 3.08Å; C234-C237 PolarHBondContact O-N 2.81Å; C234-G238 WeakPolarHBondContact O-CA 3.46Å; C234-G238 PolarHBondContact O-N 2.85Å; C234-N239 PolarHBondContact N-O 3.49Å; C234-L242 HydrophobicContact CB-CD2 3.99Å; C234-L242 HydrophobicContact CB-CG 4.26Å | ||
| 235 | P | 92.4 | Very high | 92.6 | Very high | 78 Ų | 78 | 55.5 Ų | 55.5 | 51% | 0.506 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -12.5 | -177.9 | 27.4 | -35.8 | 0 | 0 | 0 | 114.1 | ||
| 236 | H | 92.7 | Very high | 92.6 | Very high | 136 Ų | 136 | 53.7 Ų | 53.7 | 63% | 0.63 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -38.1 | 178.8 | -175 | -57.1 | 0 | 0 | 0 | 113.3 | R224 C234 | R224-H236 HydrophobicContact CB-CB 4.3Å; R224-H236 HydrophobicContact CG-CB 4.41Å; C234-H236 PolarHBondContact O-N 3.31Å; C234-H236 VanDerWaalsContact O-N 3.08Å |
| 237 | C | 94.9 | Very high | 92.6 | Very high | 42 Ų | 42 | 53.5 Ų | 53.5 | 28% | 0.284 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | 5.6 | -174.1 | 70.4 | 0 | 0 | 0 | 0 | 114.4 | C222 C234 N239 | C222-C237 HydrophobicContact CB-CB 4.25Å; C222-C237 VanDerWaalsContact SG-SG 3.67Å; C234-C237 PolarHBondContact O-N 2.81Å; C237-N239 PolarHBondContact O-N 2.92Å; C237-N239 PolarHBondContact O-ND2 2.92Å |
| 238 | G | 94.4 | Very high | 92.8 | Very high | 37 Ų | 37 | 53 Ų | 53 | 38% | 0.381 | 30% | 0.296 | S | S | . | . | trans | 69.5 | -21.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | F233 C234 | F233-G238 VanDerWaalsContact CD1-O 3.31Å; F233-G238 WeakPolarHBondContact CD1-O 3.14Å; C234-G238 WeakPolarHBondContact O-CA 3.46Å; C234-G238 PolarHBondContact O-N 2.85Å | ||
| 239 | N | 95.2 | Very high | 92.8 | Very high | 91 Ų | 91 | 50.4 Ų | 50.4 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -71 | 149.4 | -173.7 | -67.3 | -52.1 | 0 | 0 | 0 | 113.3 | C234 C237 T241 | C234-N239 PolarHBondContact N-O 3.49Å; C237-N239 PolarHBondContact O-N 2.92Å; C237-N239 PolarHBondContact O-ND2 2.92Å; N239-T241 HydrophobicContact CB-CG2 3.69Å; N239-T241 PolarHBondContact O-N 2.9Å; N239-T241 PolarHBondContact O-OG1 3.23Å |
| 240 | Q | 95 | Very high | 92.7 | Very high | 136 Ų | 136 | 46.5 Ų | 46.5 | 64% | 0.636 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -78.2 | 54.8 | 175.8 | -156.3 | -172.7 | -1.8 | 0 | 0 | 112.2 | A232 F233 | A232-Q240 WeakPolarHBondContact O-CG 3.31Å; F233-Q240 HydrophobicContact CD1-CB 3.78Å; F233-Q240 HydrophobicContact CD1-CG 4.14Å; F233-Q240 HydrophobicContact CE1-CB 3.76Å; F233-Q240 HydrophobicContact CE1-CG 4.02Å |
| 241 | T | 94.7 | Very high | 92.3 | Very high | 20 Ų | 20 | 44.6 Ų | 44.6 | 12% | 0.123 | 25% | 0.247 | C | C | . | . | trans | -115 | 11.4 | -166.7 | 47.4 | 0 | 0 | 0 | 0 | 113.5 | C219 H220 A221 N239 | C219-T241 PolarHBondContact SG-OG1 3.41Å; H220-T241 VanDerWaalsContact CE1-CB 3.46Å; H220-T241 WeakPolarHBondContact CE1-CB 3.42Å; H220-T241 PolarHBondContact N-O 2.85Å; H220-T241 VanDerWaalsContact N-O 3.12Å; H220-T241 PolarHBondContact ND1-O 2.82Å; A221-T241 HydrophobicContact CB-CG2 4.23Å; N239-T241 HydrophobicContact CB-CG2 3.69Å; N239-T241 PolarHBondContact O-N 2.9Å; N239-T241 PolarHBondContact O-OG1 3.23Å | ||
| 242 | L | 95.2 | Very high | 91.7 | Very high | 24 Ų | 24 | 47 Ų | 47 | 13% | 0.126 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 138.9 | 176.6 | -68 | -176.8 | 0 | 0 | 0 | 112 | L217 C219 T226 K231 F233 C234 | L217-L242 HydrophobicContact CB-CB 4.15Å; L217-L242 HydrophobicContact CB-CD1 4.13Å; L217-L242 HydrophobicContact CB-CD2 4.17Å; L217-L242 HydrophobicContact CB-CG 4.38Å; L217-L242 HydrophobicContact CD1-CB 4.36Å; L217-L242 HydrophobicContact CD1-CD1 3.8Å; C219-L242 HydrophobicContact CB-CD2 4.09Å; T226-L242 HydrophobicContact CG2-CD1 4.18Å; T226-L242 HydrophobicContact CG2-CD2 4.34Å; K231-L242 HydrophobicContact CB-CD1 3.79Å; F233-L242 WeakPolarHBondContact O-CD1 3.42Å; C234-L242 HydrophobicContact CB-CD2 3.99Å; C234-L242 HydrophobicContact CB-CG 4.26Å |
| 243 | K | 94.7 | Very high | 91.1 | Very high | 70 Ų | 70 | 44.7 Ų | 44.7 | 30% | 0.304 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 135 | 177.9 | -63.2 | -72.2 | 179.1 | 169.7 | 0 | 109.6 | L217 R218 V265 M266 | L217-K243 WeakPolarHBondContact CA-O 3.36Å; R218-K243 PolarHBondContact N-O 3.32Å; R218-K243 PolarHBondContact O-N 3.32Å; K243-V265 HydrophobicContact CD-CG1 4.26Å; K243-V265 PolarHBondContact NZ-O 3.29Å; K243-M266 HydrophobicContact CB-CE 4.4Å; K243-M266 HydrophobicContact CD-SD 4.28Å; K243-M266 HydrophobicContact CG-CE 3.89Å; K243-M266 HydrophobicContact CG-SD 4.12Å |
| 244 | K | 94 | Very high | 90.7 | Very high | 76 Ų | 76 | 45.3 Ų | 45.3 | 33% | 0.33 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 129.2 | 178 | -175.6 | 175.2 | 176.9 | -169.1 | 0 | 110.3 | P55 Y215 L217 M229 | P55-K244 HydrophobicContact CB-CB 4.33Å; P55-K244 WeakPolarHBondContact CB-O 3.35Å; Y215-K244 HydrophobicContact CD1-CD 4.12Å; Y215-K244 HydrophobicContact CD1-CG 3.88Å; Y215-K244 HydrophobicContact CE1-CD 4.49Å; Y215-K244 HydrophobicContact CG-CD 4.37Å; Y215-K244 HydrophobicContact CG-CG 4.29Å; L217-K244 HydrophobicContact CD2-CB 4.3Å; M229-K244 HydrophobicContact CE-CD 4.15Å; M229-K244 HydrophobicContact CE-CG 4.05Å |
| 245 | L | 92.3 | Very high | 90.3 | Very high | 11 Ų | 11 | 46.1 Ų | 46.1 | 6% | 0.058 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 131.6 | 179.1 | -172.1 | 71.9 | 0 | 0 | 0 | 107.8 | Y215 I216 R218 M257 H258 F259 | Y215-L245 WeakPolarHBondContact CA-O 3.32Å; I216-L245 HydrophobicContact CD1-CD2 4.44Å; I216-L245 HydrophobicContact CG1-CB 4.19Å; I216-L245 HydrophobicContact CG1-CD2 4.47Å; I216-L245 PolarHBondContact N-O 3.45Å; I216-L245 PolarHBondContact O-N 3.38Å; R218-L245 HydrophobicContact CB-CD2 4.42Å; L245-M257 HydrophobicContact CD2-CB 4.22Å; L245-M257 HydrophobicContact CD2-CG 4.44Å; L245-M257 HydrophobicContact CD2-SD 4.09Å; L245-H258 VanDerWaalsContact CD1-O 3.26Å; L245-H258 WeakPolarHBondContact CD1-O 3.37Å; L245-F259 HydrophobicContact CD1-CB 4.42Å; L245-F259 HydrophobicContact CD1-CD1 3.81Å; L245-F259 HydrophobicContact CD1-CD2 4.17Å; L245-F259 HydrophobicContact CD1-CE1 4.06Å; L245-F259 HydrophobicContact CD1-CE2 4.4Å; L245-F259 HydrophobicContact CD1-CG 3.87Å; L245-F259 HydrophobicContact CD1-CZ 4.35Å; L245-F259 HydrophobicContact CD2-CE1 4.22Å; L245-F259 HydrophobicContact CD2-CE2 4.25Å; L245-F259 HydrophobicContact CD2-CZ 3.95Å |
| 246 | A | 91.5 | Very high | 90.2 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 140.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y215 H258 | Y215-A246 HydrophobicContact CD1-CB 3.76Å; Y215-A246 HydrophobicContact CE1-CB 3.66Å; A246-H258 HydrophobicContact CB-CB 4.03Å; A246-H258 PolarHBondContact O-CD2 3.24Å; A246-H258 PolarHBondContact O-N 2.9Å |
| 247 | V | 89.8 | Confident | 90.2 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.4 | 178.2 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | R213 S214 I216 V249 I255 Q256 M257 | R213-V247 CarbonylContact C-O 3.5Å; R213-V247 WeakPolarHBondContact CA-O 3.35Å; S214-V247 PolarHBondContact N-O 3.26Å; S214-V247 PolarHBondContact O-N 3.28Å; S214-V247 VanDerWaalsContact O-O 3.12Å; I216-V247 HydrophobicContact CD1-CG2 3.67Å; I216-V247 HydrophobicContact CG1-CG2 3.72Å; I216-V247 HydrophobicContact CG2-CG2 4.32Å; V247-V249 HydrophobicContact CG1-CG2 4.47Å; V247-I255 HydrophobicContact CG1-CG2 3.57Å; V247-Q256 CarbonylContact C-O 3.57Å; V247-Q256 VanDerWaalsContact CA-O 3.3Å; V247-Q256 WeakPolarHBondContact CA-O 3.35Å; V247-M257 HydrophobicContact CG2-CG 4.25Å |
| 248 | T | 89.6 | Confident | 90.1 | Very high | 15 Ų | 15 | 40 Ų | 40 | 9% | 0.092 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 120.7 | 171.8 | -54.1 | 0 | 0 | 0 | 0 | 108.2 | R211 A212 Q256 H258 | R211-T248 HydrophobicContact CG-CG2 3.62Å; A212-T248 WeakPolarHBondContact O-CA 3.23Å; T248-Q256 PolarHBondContact N-O 3.44Å; T248-Q256 PolarHBondContact O-N 2.88Å; T248-H258 PolarHBondContact OG1-NE2 3.41Å; T248-H258 VanDerWaalsContact OG1-NE2 3.12Å |
| 249 | V | 88.3 | Confident | 90.1 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 120.5 | 169.9 | -174.4 | 0 | 0 | 0 | 0 | 107.6 | I195 Q196 R211 A212 V247 S254 | I195-V249 HydrophobicContact CB-CG1 4.28Å; I195-V249 HydrophobicContact CG2-CG1 3.87Å; Q196-V249 HydrophobicContact CG-CG1 4.35Å; R211-V249 WeakPolarHBondContact CA-O 3.3Å; R211-V249 WeakPolarHBondContact CG-O 3.26Å; A212-V249 PolarHBondContact N-O 3.08Å; A212-V249 PolarHBondContact O-N 2.83Å; V247-V249 HydrophobicContact CG1-CG2 4.47Å; V249-S254 WeakPolarHBondContact CA-O 3.41Å |
| 250 | G | 85.7 | Confident | 89.9 | Confident | 7 Ų | 7 | 37.7 Ų | 37.7 | 7% | 0.072 | 19% | 0.193 | C | C | . | . | trans | -80.2 | 166.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I195 D252 G253 S254 | I195-G250 WeakPolarHBondContact CG2-O 3.48Å; G250-D252 PolarHBondContact O-N 2.85Å; G250-G253 WeakPolarHBondContact O-CA 3.21Å; G250-G253 PolarHBondContact O-N 2.81Å; G250-S254 PolarHBondContact N-O 2.87Å | ||
| 251 | D | 81.6 | Confident | 89.8 | Confident | 61 Ų | 61 | 38.9 Ų | 38.9 | 33% | 0.326 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -32.2 | 173.9 | 37.5 | -10.7 | 0 | 0 | 0 | 112.5 | R210 G253 | R210-D251 HydrophobicContact CB-CB 4.36Å; R210-D251 IonicContact CZ-OD2 3.32Å; R210-D251 IonicContact NE-OD2 3.1Å; R210-D251 PolarHBondContact NE-OD2 2.81Å; R210-D251 VanDerWaalsContact NE-OD2 3.1Å; R210-D251 IonicContact NH2-OD2 2.7Å; R210-D251 PolarHBondContact NH2-OD2 3.5Å; R210-D251 VanDerWaalsContact O-CA 3.32Å; R210-D251 WeakPolarHBondContact O-CA 3.45Å; R210-D251 WeakPolarHBondContact O-CB 3.31Å; R210-D251 PolarHBondContact O-N 2.66Å; R210-D251 VanDerWaalsContact O-N 3.14Å; D251-G253 PolarHBondContact O-N 3.13Å; D251-G253 VanDerWaalsContact O-N 3.11Å |
| 252 | D | 80.6 | Confident | 89.6 | Confident | 106 Ų | 106 | 39.3 Ų | 39.3 | 57% | 0.567 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -7.2 | 169.6 | -64.3 | -38.5 | 0 | 0 | 0 | 114 | K39 G250 S254 | K39-D252 PolarHBondContact NZ-O 3.42Å; G250-D252 PolarHBondContact O-N 2.85Å; D252-S254 VanDerWaalsContact C-N 3.25Å; D252-S254 PolarHBondContact O-N 3.03Å |
| 253 | G | 79 | Confident | 89.4 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | trans | 77.4 | 4.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G250 D251 | G250-G253 WeakPolarHBondContact O-CA 3.21Å; G250-G253 PolarHBondContact O-N 2.81Å; D251-G253 PolarHBondContact O-N 3.13Å; D251-G253 VanDerWaalsContact O-N 3.11Å | ||
| 254 | S | 87 | Confident | 89.1 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | trans | -67 | 142.5 | 176.3 | 63 | 0 | 0 | 0 | 0 | 111.7 | V249 G250 D252 | V249-S254 WeakPolarHBondContact CA-O 3.41Å; G250-S254 PolarHBondContact N-O 2.87Å; D252-S254 VanDerWaalsContact C-N 3.25Å; D252-S254 PolarHBondContact O-N 3.03Å | ||
| 255 | I | 87.5 | Confident | 88.9 | Confident | 19 Ų | 19 | 42.3 Ų | 42.3 | 10% | 0.097 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 111 | -172.7 | -57.3 | -179.8 | 0 | 0 | 0 | 109.5 | K45 V46 T47 V247 M257 | K45-I255 PolarHBondContact O-N 2.94Å; V46-I255 CarbonylContact C-O 3.56Å; V46-I255 VanDerWaalsContact CA-O 3.29Å; V46-I255 WeakPolarHBondContact CA-O 3.13Å; T47-I255 PolarHBondContact N-O 3.34Å; V247-I255 HydrophobicContact CG1-CG2 3.57Å; I255-M257 HydrophobicContact CG2-CE 4.16Å; I255-M257 HydrophobicContact CG2-CG 4.34Å |
| 256 | Q | 91 | Very high | 88.9 | Confident | 61 Ų | 61 | 46.9 Ų | 46.9 | 29% | 0.285 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 118 | 176.5 | -53.7 | -171.8 | -2 | 0 | 0 | 110.5 | T47 V247 T248 | T47-Q256 CarbonylContact O-C 3.55Å; T47-Q256 WeakPolarHBondContact O-CA 3.33Å; V247-Q256 CarbonylContact C-O 3.57Å; V247-Q256 VanDerWaalsContact CA-O 3.3Å; V247-Q256 WeakPolarHBondContact CA-O 3.35Å; T248-Q256 PolarHBondContact N-O 3.44Å; T248-Q256 PolarHBondContact O-N 2.88Å |
| 257 | M | 92.6 | Very high | 88.9 | Confident | 34 Ų | 34 | 49.9 Ų | 49.9 | 17% | 0.167 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 124.3 | 179.2 | -64.8 | -165.5 | -177.1 | 0 | 0 | 111.2 | V46 T47 Q49 L245 V247 I255 F259 | V46-M257 HydrophobicContact CG1-CE 4.21Å; V46-M257 HydrophobicContact CG1-CG 4.28Å; V46-M257 HydrophobicContact CG1-SD 4.31Å; T47-M257 PolarHBondContact O-N 3.11Å; Q49-M257 PolarHBondContact N-O 3.48Å; Q49-M257 VanDerWaalsContact O-O 3.09Å; L245-M257 HydrophobicContact CD2-CB 4.22Å; L245-M257 HydrophobicContact CD2-CG 4.44Å; L245-M257 HydrophobicContact CD2-SD 4.09Å; V247-M257 HydrophobicContact CG2-CG 4.25Å; I255-M257 HydrophobicContact CG2-CE 4.16Å; I255-M257 HydrophobicContact CG2-CG 4.34Å; M257-F259 HydrophobicContact CB-CD2 4.13Å; M257-F259 HydrophobicContact CB-CE2 3.61Å; M257-F259 HydrophobicContact SD-CE2 4.34Å; M257-F259 HydrophobicContact SD-CZ 4.48Å |
| 258 | H | 92.2 | Very high | 88.9 | Confident | 31 Ų | 31 | 54.1 Ų | 54.1 | 14% | 0.144 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 91.1 | -172.2 | -63.6 | -90.8 | 0 | 0 | 0 | 112.1 | Q49 L245 A246 T248 | Q49-H258 PolarHBondContact OE1-CE1 3.35Å; Q49-H258 PolarHBondContact OE1-ND1 3.35Å; L245-H258 VanDerWaalsContact CD1-O 3.26Å; L245-H258 WeakPolarHBondContact CD1-O 3.37Å; A246-H258 HydrophobicContact CB-CB 4.03Å; A246-H258 PolarHBondContact O-CD2 3.24Å; A246-H258 PolarHBondContact O-N 2.9Å; T248-H258 PolarHBondContact OG1-NE2 3.41Å; T248-H258 VanDerWaalsContact OG1-NE2 3.12Å |
| 259 | F | 93.9 | Very high | 89 | Confident | 50 Ų | 50 | 63.5 Ų | 63.5 | 22% | 0.219 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 121.4 | -176.9 | -74 | -96 | 0 | 0 | 0 | 113.1 | I48 Q49 S50 T51 L245 M257 K261 | I48-F259 HydrophobicContact CG1-CE2 4.21Å; I48-F259 HydrophobicContact CG2-CD2 3.56Å; I48-F259 HydrophobicContact CG2-CE2 3.89Å; I48-F259 HydrophobicContact CG2-CG 4.43Å; Q49-F259 PolarHBondContact O-N 3.48Å; S50-F259 CarbonylContact C-O 3.56Å; S50-F259 VanDerWaalsContact CA-O 3.23Å; S50-F259 WeakPolarHBondContact CA-O 3.37Å; S50-F259 PolarHBondContact OG-O 3.03Å; T51-F259 PolarHBondContact N-O 3.03Å; L245-F259 HydrophobicContact CD1-CB 4.42Å; L245-F259 HydrophobicContact CD1-CD1 3.81Å; L245-F259 HydrophobicContact CD1-CD2 4.17Å; L245-F259 HydrophobicContact CD1-CE1 4.06Å; L245-F259 HydrophobicContact CD1-CE2 4.4Å; L245-F259 HydrophobicContact CD1-CG 3.87Å; L245-F259 HydrophobicContact CD1-CZ 4.35Å; L245-F259 HydrophobicContact CD2-CE1 4.22Å; L245-F259 HydrophobicContact CD2-CE2 4.25Å; L245-F259 HydrophobicContact CD2-CZ 3.95Å; M257-F259 HydrophobicContact CB-CD2 4.13Å; M257-F259 HydrophobicContact CB-CE2 3.61Å; M257-F259 HydrophobicContact SD-CE2 4.34Å; M257-F259 HydrophobicContact SD-CZ 4.48Å; F259-K261 PolarHBondContact O-N 2.77Å |
| 260 | S | 92.4 | Very high | 89.1 | Confident | 30 Ų | 30 | 64.3 Ų | 64.3 | 21% | 0.21 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 119.1 | 171.2 | 161.8 | 0 | 0 | 0 | 0 | 111.8 | T51 R53 N262 V265 | T51-S260 CarbonylContact O-C 3.57Å; T51-S260 WeakPolarHBondContact O-CA 3.38Å; R53-S260 WeakPolarHBondContact O-CB 3.37Å; R53-S260 PolarHBondContact O-OG 3.37Å; S260-N262 VanDerWaalsContact C-N 3.26Å; S260-N262 VanDerWaalsContact OG-CB 3.25Å; S260-N262 WeakPolarHBondContact OG-CB 3.45Å; S260-N262 PolarHBondContact OG-N 2.76Å; S260-N262 VanDerWaalsContact OG-N 3.12Å; S260-V265 WeakPolarHBondContact OG-CG2 3.46Å |
| 261 | K | 91.6 | Very high | 89.3 | Confident | 161 Ų | 161 | 68.7 Ų | 68.7 | 70% | 0.7 | 35% | 0.354 | S | S | * | . | trans | -77.5 | -5.6 | 166 | -87.9 | 168.2 | -175.1 | 175.1 | 0 | 113.7 | S50 T51 F259 P263 | S50-K261 WeakPolarHBondContact OG-CD 3.48Å; S50-K261 WeakPolarHBondContact OG-CE 3.13Å; S50-K261 VanDerWaalsContact OG-CG 3.24Å; S50-K261 WeakPolarHBondContact OG-CG 3.38Å; T51-K261 PolarHBondContact O-N 3.38Å; F259-K261 PolarHBondContact O-N 2.77Å; K261-P263 WeakPolarHBondContact O-CD 3.21Å | ||
| 262 | N | 91.3 | Very high | 89.9 | Confident | 29 Ų | 29 | 76.6 Ų | 76.6 | 16% | 0.155 | 38% | 0.379 | C | S | . | . | trans | -60.2 | 119.5 | -177.4 | -166.4 | -56.9 | 0 | 0 | 0 | 111.6 | Q52 S260 K264 V265 | Q52-N262 PolarHBondContact O-ND2 3.03Å; S260-N262 VanDerWaalsContact C-N 3.26Å; S260-N262 VanDerWaalsContact OG-CB 3.25Å; S260-N262 WeakPolarHBondContact OG-CB 3.45Å; S260-N262 PolarHBondContact OG-N 2.76Å; S260-N262 VanDerWaalsContact OG-N 3.12Å; N262-K264 PolarHBondContact O-N 3.06Å; N262-K264 VanDerWaalsContact O-N 3.13Å; N262-K264 VanDerWaalsContact OD1-CB 3.28Å; N262-K264 WeakPolarHBondContact OD1-CB 3.39Å; N262-K264 WeakPolarHBondContact OD1-CG 3.22Å; N262-K264 PolarHBondContact OD1-N 2.73Å; N262-V265 HydrophobicContact CB-CG2 4.21Å; N262-V265 WeakPolarHBondContact O-CB 3.3Å; N262-V265 PolarHBondContact O-N 2.85Å; N262-V265 VanDerWaalsContact O-N 3.09Å | ||
| 263 | P | 89.9 | Confident | 90.5 | Very high | 108 Ų | 108 | 75.1 Ų | 75.1 | 70% | 0.701 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -19.6 | -173.6 | 26.2 | -35 | 0 | 0 | 0 | 113.2 | K261 V265 M266 | K261-P263 WeakPolarHBondContact O-CD 3.21Å; P263-V265 PolarHBondContact O-N 3.1Å; P263-M266 PolarHBondContact O-N 3.06Å |
| 264 | K | 89.6 | Confident | 91.3 | Very high | 110 Ų | 110 | 80.8 Ų | 80.8 | 48% | 0.478 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -23.3 | 176.4 | -57.7 | 174.3 | -173.3 | 172.5 | 0 | 112 | S106 N262 | S106-K264 PolarHBondContact O-NZ 2.89Å; S106-K264 PolarHBondContact OG-NZ 2.87Å; N262-K264 PolarHBondContact O-N 3.06Å; N262-K264 VanDerWaalsContact O-N 3.13Å; N262-K264 VanDerWaalsContact OD1-CB 3.28Å; N262-K264 WeakPolarHBondContact OD1-CB 3.39Å; N262-K264 WeakPolarHBondContact OD1-CG 3.22Å; N262-K264 PolarHBondContact OD1-N 2.73Å |
| 265 | V | 90.4 | Very high | 91.6 | Very high | 16 Ų | 16 | 84.1 Ų | 84.1 | 10% | 0.097 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -39.8 | -179.6 | 179.4 | 0 | 0 | 0 | 0 | 112.7 | H54 P55 K243 S260 N262 P263 | H54-V265 VanDerWaalsContact CD2-CG2 3.45Å; H54-V265 WeakPolarHBondContact CD2-CG2 3.38Å; P55-V265 VanDerWaalsContact CD-CG2 3.41Å; P55-V265 HydrophobicContact CG-CG2 4Å; K243-V265 HydrophobicContact CD-CG1 4.26Å; K243-V265 PolarHBondContact NZ-O 3.29Å; S260-V265 WeakPolarHBondContact OG-CG2 3.46Å; N262-V265 HydrophobicContact CB-CG2 4.21Å; N262-V265 WeakPolarHBondContact O-CB 3.3Å; N262-V265 PolarHBondContact O-N 2.85Å; N262-V265 VanDerWaalsContact O-N 3.09Å; P263-V265 PolarHBondContact O-N 3.1Å |
| 266 | M | 90.5 | Very high | 91.9 | Very high | 107 Ų | 107 | 87 Ų | 87 | 53% | 0.527 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 46.5 | -176.5 | -60.4 | -57.9 | -174.4 | 0 | 0 | 111.3 | H220 K243 P263 | H220-M266 HydrophobicContact CB-CE 3.91Å; H220-M266 HydrophobicContact CB-SD 4.17Å; K243-M266 HydrophobicContact CB-CE 4.4Å; K243-M266 HydrophobicContact CD-SD 4.28Å; K243-M266 HydrophobicContact CG-CE 3.89Å; K243-M266 HydrophobicContact CG-SD 4.12Å; P263-M266 PolarHBondContact O-N 3.06Å |
| 267 | N | 91.4 | Very high | 92.1 | Very high | 73 Ų | 73 | 91 Ų | 91 | 39% | 0.39 | 47% | 0.467 | S | S | . | . | trans | -92.6 | 122.4 | 179.9 | -167.5 | -22.7 | 0 | 0 | 0 | 111.2 | R269 | N267-R269 VanDerWaalsContact C-N 3.29Å; N267-R269 PolarHBondContact O-N 3.15Å; N267-R269 VanDerWaalsContact OD1-CB 3.27Å; N267-R269 WeakPolarHBondContact OD1-CB 3.26Å; N267-R269 WeakPolarHBondContact OD1-CG 3.23Å; N267-R269 PolarHBondContact OD1-N 3.2Å | ||
| 268 | P | 91.2 | Very high | 92.2 | Very high | 96 Ų | 96 | 95 Ų | 95 | 62% | 0.623 | 50% | 0.495 | S | S | * | . | trans | -77.5 | -7.6 | 178.4 | 31.3 | -35.7 | 0 | 0 | 0 | 114 | G270 T271 | P268-G270 PolarHBondContact O-N 2.88Å; P268-T271 WeakPolarHBondContact O-CB 3.32Å; P268-T271 WeakPolarHBondContact O-CG2 3.33Å; P268-T271 PolarHBondContact O-N 2.89Å; P268-T271 PolarHBondContact O-OG1 2.77Å | ||
| 269 | R | 92.1 | Very high | 92.3 | Very high | 211 Ų | 211 | 102.4 Ų | 102.4 | 80% | 0.796 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 130.4 | -178.4 | -73 | 177.8 | -175.9 | -168.6 | 0.5 | 111.5 | N267 T271 | N267-R269 VanDerWaalsContact C-N 3.29Å; N267-R269 PolarHBondContact O-N 3.15Å; N267-R269 VanDerWaalsContact OD1-CB 3.27Å; N267-R269 WeakPolarHBondContact OD1-CB 3.26Å; N267-R269 WeakPolarHBondContact OD1-CG 3.23Å; N267-R269 PolarHBondContact OD1-N 3.2Å; R269-T271 VanDerWaalsContact C-N 3.33Å |
| 270 | G | 89.3 | Confident | 92.4 | Very high | 19 Ų | 19 | 103.5 Ų | 103.5 | 20% | 0.196 | 55% | 0.547 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -0.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | P268 N349 | P268-G270 PolarHBondContact O-N 2.88Å; G270-N349 WeakPolarHBondContact CA-OD1 3.48Å |
| 271 | T | 90.6 | Very high | 92.4 | Very high | 99 Ų | 99 | 104.8 Ų | 104.8 | 61% | 0.607 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -52.9 | 173.7 | 59 | 0 | 0 | 0 | 0 | 111.3 | P268 R269 H273 | P268-T271 WeakPolarHBondContact O-CB 3.32Å; P268-T271 WeakPolarHBondContact O-CG2 3.33Å; P268-T271 PolarHBondContact O-N 2.89Å; P268-T271 PolarHBondContact O-OG1 2.77Å; R269-T271 VanDerWaalsContact C-N 3.33Å; T271-H273 PolarHBondContact O-N 3.12Å; T271-H273 PolarHBondContact O-ND1 2.92Å |
| 272 | R | 94.4 | Very high | 92.5 | Very high | 227 Ų | 227 | 105.7 Ų | 105.7 | 86% | 0.857 | 57% | 0.57 | S | S | * | * | trans | -79.8 | 117.3 | 178 | -170.6 | 176.5 | -179.5 | -177.3 | -0 | 111.7 | N351 | R272-N351 PolarHBondContact O-ND2 3.39Š| ||
| 273 | H | 93.3 | Very high | 92.5 | Very high | 76 Ų | 76 | 109.6 Ų | 109.6 | 35% | 0.352 | 59% | 0.587 | S | S | . | * | trans | -154.7 | 160.3 | 174.6 | 61.5 | -77.2 | 0 | 0 | 0 | 109.8 | T271 L275 P350 N351 | T271-H273 PolarHBondContact O-N 3.12Å; T271-H273 PolarHBondContact O-ND1 2.92Å; H273-L275 PolarHBondContact O-N 3.19Å; H273-P350 HydrophobicContact CB-CB 4.08Å; H273-N351 WeakPolarHBondContact CB-OD1 3.19Å | ||
| 274 | S | 94.3 | Very high | 92.6 | Very high | 119 Ų | 119 | 105 Ų | 105 | 83% | 0.832 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 126.1 | 178.5 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 275 | L | 93.8 | Very high | 92.6 | Very high | 91 Ų | 91 | 103.9 Ų | 103.9 | 48% | 0.476 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -86.8 | 148.1 | 175.4 | -63.2 | 177.4 | 0 | 0 | 0 | 110.9 | H273 P287 L289 | H273-L275 PolarHBondContact O-N 3.19Å; L275-P287 HydrophobicContact CD2-CG 4.29Å; L275-L289 HydrophobicContact CD1-CD1 4.13Å; L275-L289 HydrophobicContact CD1-CD2 4.37Å |
| 276 | P | 94 | Very high | 92.7 | Very high | 80 Ų | 80 | 105.6 Ų | 105.6 | 52% | 0.519 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -68 | 152.7 | 171.4 | 30.6 | -35.4 | 0 | 0 | 0 | 111 | P287 | P276-P287 HydrophobicContact CG-CG 4Š|
| 277 | L | 95.4 | Very high | 92.7 | Very high | 144 Ų | 144 | 102.7 Ų | 102.7 | 75% | 0.754 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 137.5 | 169.5 | -70.4 | 163.8 | 0 | 0 | 0 | 110.4 | R279 | L277-R279 PolarHBondContact O-N 2.77Š|
| 278 | P | 95.4 | Very high | 92.8 | Very high | 118 Ų | 118 | 103.7 Ų | 103.7 | 77% | 0.766 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 131.3 | -179.2 | 26.4 | -34.2 | 0 | 0 | 0 | 110.7 | ||
| 279 | R | 94.1 | Very high | 93 | Very high | 186 Ų | 186 | 103.7 Ų | 103.7 | 70% | 0.702 | 56% | 0.563 | S | S | * | * | trans | -117.3 | 140.8 | 179.3 | -65 | -178.6 | -177.5 | -165.5 | -2.4 | 111.3 | L277 A284 N286 | L277-R279 PolarHBondContact O-N 2.77Å; R279-A284 HydrophobicContact CB-CB 4.3Å; R279-A284 VanDerWaalsContact O-CB 3.23Å; R279-A284 WeakPolarHBondContact O-CB 3.48Å; R279-N286 PolarHBondContact N-OD1 3.41Å; R279-N286 VanDerWaalsContact N-OD1 3.13Å; R279-N286 PolarHBondContact O-ND2 3.33Å; R279-N286 PolarHBondContact O-OD1 3.12Å | ||
| 280 | G | 94.6 | Very high | 93.1 | Very high | 73 Ų | 73 | 96.8 Ų | 96.8 | 75% | 0.753 | 54% | 0.544 | S | S | * | . | trans | -99.5 | -179.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 281 | G | 94 | Very high | 93.3 | Very high | 58 Ų | 58 | 100.6 Ų | 100.6 | 60% | 0.598 | 56% | 0.557 | S | S | * | * | S | Bend | trans | 96.6 | 172.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | H283 A284 P296 | G281-H283 PolarHBondContact O-N 2.85Å; G281-A284 PolarHBondContact O-N 3.32Å; G281-P296 WeakPolarHBondContact O-CG 3.41Å |
| 282 | K | 92.8 | Very high | 93.4 | Very high | 180 Ų | 180 | 102.3 Ų | 102.3 | 78% | 0.783 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -20.6 | -168.6 | -61.3 | -178.7 | -177.9 | 178.7 | 0 | 114.8 | P296 | K282-P296 VanDerWaalsContact O-CB 3.31Å; K282-P296 WeakPolarHBondContact O-CB 3.48Å |
| 283 | H | 91.4 | Very high | 93.4 | Very high | 111 Ų | 111 | 93.5 Ų | 93.5 | 51% | 0.514 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126 | 17.1 | -174.2 | -54.9 | -49.4 | 0 | 0 | 0 | 113.2 | G281 | G281-H283 PolarHBondContact O-N 2.85Š|
| 284 | A | 92.3 | Very high | 93.5 | Very high | 12 Ų | 12 | 101.3 Ų | 101.3 | 10% | 0.099 | 56% | 0.557 | C | S | . | * | trans | -62.5 | 139.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R279 G281 P296 Q298 | R279-A284 HydrophobicContact CB-CB 4.3Å; R279-A284 VanDerWaalsContact O-CB 3.23Å; R279-A284 WeakPolarHBondContact O-CB 3.48Å; G281-A284 PolarHBondContact O-N 3.32Å; A284-P296 HydrophobicContact CB-CG 4.4Å; A284-Q298 PolarHBondContact O-NE2 3.16Å; A284-Q298 VanDerWaalsContact O-NE2 3.1Å | ||
| 285 | A | 88.4 | Confident | 93.4 | Very high | 85 Ų | 85 | 100.2 Ų | 100.2 | 70% | 0.702 | 54% | 0.538 | S | S | * | . | trans | -131.7 | 73.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 286 | N | 92.7 | Very high | 93.4 | Very high | 52 Ų | 52 | 97.9 Ų | 97.9 | 28% | 0.278 | 53% | 0.528 | S | S | . | . | trans | -79.5 | 151.2 | 177.3 | -58.9 | -35.8 | 0 | 0 | 0 | 109.9 | R279 | R279-N286 PolarHBondContact N-OD1 3.41Å; R279-N286 VanDerWaalsContact N-OD1 3.13Å; R279-N286 PolarHBondContact O-ND2 3.33Å; R279-N286 PolarHBondContact O-OD1 3.12Å | ||
| 287 | P | 92.3 | Very high | 93.3 | Very high | 47 Ų | 47 | 101.5 Ų | 101.5 | 31% | 0.305 | 54% | 0.538 | S | S | . | . | trans | -56.6 | 150.6 | 171.1 | -23.7 | 34.5 | 0 | 0 | 0 | 112 | L275 P276 L289 Q293 | L275-P287 HydrophobicContact CD2-CG 4.29Å; P276-P287 HydrophobicContact CG-CG 4Å; P287-L289 HydrophobicContact CB-CD2 4.17Å; P287-L289 HydrophobicContact CB-CG 4.39Å; P287-Q293 PolarHBondContact O-NE2 2.93Å; P287-Q293 PolarHBondContact O-OE1 3.1Å | ||
| 288 | H | 93.1 | Very high | 93.1 | Very high | 94 Ų | 94 | 98.1 Ų | 98.1 | 44% | 0.435 | 52% | 0.518 | S | S | . | . | trans | -88.4 | 110.9 | 177.6 | -167.1 | -177.7 | 0 | 0 | 0 | 109.8 | F233 V290 F295 | F233-H288 AromaticContact CE2-CD2 3.82Å; F233-H288 AromaticContact CE2-CE1 3.8Å; F233-H288 AromaticContact CE2-NE2 3.56Å; F233-H288 AromaticContact CZ-CD2 3.89Å; H288-V290 PolarHBondContact CD2-O 3.44Å; H288-V290 PolarHBondContact NE2-O 3.17Å; H288-V290 VanDerWaalsContact NE2-O 3.15Å; H288-F295 HydrophobicContact CB-CZ 3.76Å; H288-F295 AromaticContact CD2-CE2 3.68Å; H288-F295 AromaticContact CD2-CZ 3.64Å; H288-F295 AromaticContact CG-CE2 3.97Å; H288-F295 AromaticContact CG-CZ 3.67Å; H288-F295 AromaticContact NE2-CE2 3.83Å | ||
| 289 | L | 94.2 | Very high | 92.9 | Very high | 96 Ų | 96 | 100.5 Ų | 100.5 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | trans | -118 | -25.7 | -169.5 | -58.6 | 178.6 | 0 | 0 | 0 | 114 | F233 L275 P287 | F233-L289 VanDerWaalsContact CE1-C 3.47Å; F233-L289 WeakPolarHBondContact CE1-O 3.23Å; L275-L289 HydrophobicContact CD1-CD1 4.13Å; L275-L289 HydrophobicContact CD1-CD2 4.37Å; P287-L289 HydrophobicContact CB-CD2 4.17Å; P287-L289 HydrophobicContact CB-CG 4.39Å | ||
| 290 | V | 95 | Very high | 92.9 | Very high | 66 Ų | 66 | 93.2 Ų | 93.2 | 40% | 0.4 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -139.7 | 154.3 | 179 | -62.2 | 0 | 0 | 0 | 0 | 110.4 | H288 D292 Q293 | H288-V290 PolarHBondContact CD2-O 3.44Å; H288-V290 PolarHBondContact NE2-O 3.17Å; H288-V290 VanDerWaalsContact NE2-O 3.15Å; V290-D292 WeakPolarHBondContact CG2-OD1 3.24Å; V290-D292 PolarHBondContact O-N 3.09Å; V290-Q293 HydrophobicContact CG2-CB 3.85Å; V290-Q293 VanDerWaalsContact O-CB 3.24Å; V290-Q293 WeakPolarHBondContact O-CB 3.21Å; V290-Q293 PolarHBondContact O-N 3.01Å |
| 291 | E | 93.1 | Very high | 92.9 | Very high | 98 Ų | 98 | 91.3 Ų | 91.3 | 46% | 0.458 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -40.2 | -173 | -167 | -175 | 148.7 | 0 | 0 | 113.6 | K231 F233 Q293 | K231-E291 IonicContact NZ-OE1 2.73Å; K231-E291 PolarHBondContact NZ-OE1 3.31Å; K231-E291 IonicContact NZ-OE2 2.6Å; K231-E291 PolarHBondContact NZ-OE2 3.46Å; F233-E291 HydrophobicContact CB-CB 4.15Å; F233-E291 HydrophobicContact CD2-CB 3.89Å; F233-E291 HydrophobicContact CD2-CG 4.34Å; F233-E291 HydrophobicContact CG-CB 4.26Å; E291-Q293 PolarHBondContact O-N 2.88Å |
| 292 | D | 94 | Very high | 92.9 | Very high | 136 Ų | 136 | 98.9 Ų | 98.9 | 73% | 0.727 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 13 | -177.1 | 66.1 | -43.8 | 0 | 0 | 0 | 113.3 | V290 R294 | V290-D292 WeakPolarHBondContact CG2-OD1 3.24Å; V290-D292 PolarHBondContact O-N 3.09Å; D292-R294 PolarHBondContact O-N 3.44Å |
| 293 | Q | 94.4 | Very high | 92.9 | Very high | 41 Ų | 41 | 93.7 Ų | 93.7 | 19% | 0.192 | 45% | 0.45 | C | S | . | . | trans | -62.9 | 122.3 | -176.3 | -175 | 170.6 | -21.3 | 0 | 0 | 112 | P287 V290 E291 F295 | P287-Q293 PolarHBondContact O-NE2 2.93Å; P287-Q293 PolarHBondContact O-OE1 3.1Å; V290-Q293 HydrophobicContact CG2-CB 3.85Å; V290-Q293 VanDerWaalsContact O-CB 3.24Å; V290-Q293 WeakPolarHBondContact O-CB 3.21Å; V290-Q293 PolarHBondContact O-N 3.01Å; E291-Q293 PolarHBondContact O-N 2.88Å; Q293-F295 HydrophobicContact CB-CE2 3.87Å; Q293-F295 HydrophobicContact CB-CZ 4.11Å; Q293-F295 HydrophobicContact CG-CE1 4.32Å; Q293-F295 HydrophobicContact CG-CE2 3.89Å; Q293-F295 HydrophobicContact CG-CZ 3.75Å; Q293-F295 WeakPolarHBondContact O-CD2 3.31Å; Q293-F295 WeakPolarHBondContact O-CE2 3.16Å; Q293-F295 PolarHBondContact O-N 3.35Å | ||
| 294 | R | 93.8 | Very high | 93 | Very high | 241 Ų | 241 | 90.2 Ų | 90.2 | 91% | 0.909 | 44% | 0.44 | S | S | * | . | trans | -75.7 | 120.5 | 178.6 | -61.8 | -177.6 | -178.7 | -174.1 | -0.2 | 111.1 | D292 | D292-R294 PolarHBondContact O-N 3.44Š| ||
| 295 | F | 93.1 | Very high | 93 | Very high | 95 Ų | 95 | 96.8 Ų | 96.8 | 42% | 0.417 | 46% | 0.463 | S | S | . | . | trans | -107.7 | 141.8 | 173.4 | -65.9 | -80 | 0 | 0 | 0 | 111.6 | H288 Q293 | H288-F295 HydrophobicContact CB-CZ 3.76Å; H288-F295 AromaticContact CD2-CE2 3.68Å; H288-F295 AromaticContact CD2-CZ 3.64Å; H288-F295 AromaticContact CG-CE2 3.97Å; H288-F295 AromaticContact CG-CZ 3.67Å; H288-F295 AromaticContact NE2-CE2 3.83Å; Q293-F295 HydrophobicContact CB-CE2 3.87Å; Q293-F295 HydrophobicContact CB-CZ 4.11Å; Q293-F295 HydrophobicContact CG-CE1 4.32Å; Q293-F295 HydrophobicContact CG-CE2 3.89Å; Q293-F295 HydrophobicContact CG-CZ 3.75Å; Q293-F295 WeakPolarHBondContact O-CD2 3.31Å; Q293-F295 WeakPolarHBondContact O-CE2 3.16Å; Q293-F295 PolarHBondContact O-N 3.35Å | ||
| 296 | P | 93.3 | Very high | 93.1 | Very high | 43 Ų | 43 | 97.7 Ų | 97.7 | 28% | 0.279 | 45% | 0.452 | S | S | . | . | trans | -59 | 147.1 | 169.1 | -22 | 33.4 | 0 | 0 | 0 | 111.5 | G281 K282 A284 Q298 | G281-P296 WeakPolarHBondContact O-CG 3.41Å; K282-P296 VanDerWaalsContact O-CB 3.31Å; K282-P296 WeakPolarHBondContact O-CB 3.48Å; A284-P296 HydrophobicContact CB-CG 4.4Å; P296-Q298 VanDerWaalsContact C-N 3.32Å; P296-Q298 PolarHBondContact O-N 3.26Å | ||
| 297 | Q | 91.9 | Very high | 93 | Very high | 155 Ų | 155 | 102.8 Ų | 102.8 | 72% | 0.724 | 47% | 0.472 | S | S | * | . | trans | -72.7 | 81.7 | -178.2 | -64 | -168.5 | 17.2 | 0 | 0 | 112.4 | R299 | Q297-R299 PolarHBondContact O-N 3.39Š| ||
| 298 | Q | 91.1 | Very high | 93 | Very high | 73 Ų | 73 | 102.9 Ų | 102.9 | 34% | 0.341 | 47% | 0.472 | S | S | . | . | trans | -92.2 | 77.5 | 176 | -63.1 | -171.8 | 26.8 | 0 | 0 | 110.1 | A284 P296 I336 | A284-Q298 PolarHBondContact O-NE2 3.16Å; A284-Q298 VanDerWaalsContact O-NE2 3.1Å; P296-Q298 VanDerWaalsContact C-N 3.32Å; P296-Q298 PolarHBondContact O-N 3.26Å; Q298-I336 HydrophobicContact CB-CD1 3.87Å; Q298-I336 HydrophobicContact CB-CG1 4.27Å; Q298-I336 HydrophobicContact CB-CG2 4.39Å; Q298-I336 HydrophobicContact CG-CD1 4.49Å; Q298-I336 WeakPolarHBondContact O-CG2 3.48Å | ||
| 299 | R | 92 | Very high | 92.9 | Very high | 168 Ų | 168 | 102.8 Ų | 102.8 | 63% | 0.634 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -94.4 | 140.4 | -175.8 | -70.4 | 178.8 | 173.4 | -174.6 | -0.9 | 112.2 | Q297 | Q297-R299 PolarHBondContact O-N 3.39Š|
| 300 | L | 94.3 | Very high | 92.7 | Very high | 34 Ų | 34 | 102.2 Ų | 102.2 | 18% | 0.178 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -69 | 149.1 | 168.1 | -67.4 | 177.1 | 0 | 0 | 0 | 111.4 | A304 R305 I336 D338 | L300-A304 HydrophobicContact CB-CB 4.1Å; L300-A304 HydrophobicContact CD2-CB 4.18Å; L300-R305 HydrophobicContact CB-CG 3.9Å; L300-R305 HydrophobicContact CD1-CG 4.39Å; L300-R305 PolarHBondContact O-NE 3.12Å; L300-R305 PolarHBondContact O-NH2 3.39Å; L300-I336 HydrophobicContact CD2-CB 4.15Å; L300-I336 HydrophobicContact CD2-CG2 3.78Å; L300-I336 WeakPolarHBondContact CD2-O 3.46Å; L300-I336 HydrophobicContact CG-CG2 4.24Å; L300-D338 HydrophobicContact CD1-CB 4.04Å |
| 301 | S | 94.6 | Very high | 92.6 | Very high | 32 Ų | 32 | 108.2 Ų | 108.2 | 22% | 0.224 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 169.8 | 171.7 | 74.9 | 0 | 0 | 0 | 0 | 111.9 | K303 A304 R305 D326 | S301-K303 PolarHBondContact OG-N 3.04Å; S301-A304 VanDerWaalsContact OG-CB 3.32Å; S301-A304 WeakPolarHBondContact OG-CB 3.45Å; S301-A304 PolarHBondContact OG-N 3.15Å; S301-R305 WeakPolarHBondContact O-CG 3.25Å; S301-R305 PolarHBondContact O-N 3.02Å; S301-D326 VanDerWaalsContact CB-OD2 3.31Å; S301-D326 WeakPolarHBondContact CB-OD2 3.44Å; S301-D326 PolarHBondContact OG-OD2 3.11Å |
| 302 | R | 93.3 | Very high | 92.4 | Very high | 218 Ų | 218 | 107.2 Ų | 107.2 | 82% | 0.823 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -61.3 | -45.4 | 173.3 | -174.1 | 177.1 | 178.4 | -177 | -1.2 | 110.9 | A304 R305 Q306 | R302-A304 PolarHBondContact O-N 3.31Å; R302-R305 PolarHBondContact O-N 3.22Å; R302-R305 VanDerWaalsContact O-N 3.16Å; R302-Q306 PolarHBondContact O-N 2.82Å |
| 303 | K | 93.7 | Very high | 92.2 | Very high | 70 Ų | 70 | 106.8 Ų | 106.8 | 30% | 0.304 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -60 | -45.1 | 179 | -169.4 | 174.8 | -170.4 | 178.7 | 0 | 112.1 | S301 R305 Q306 Q324 N325 D326 | S301-K303 PolarHBondContact OG-N 3.04Å; K303-R305 PolarHBondContact O-N 3.36Å; K303-R305 VanDerWaalsContact O-N 3.1Å; K303-Q306 PolarHBondContact O-N 2.95Å; K303-Q306 VanDerWaalsContact O-N 3.17Å; K303-Q324 VanDerWaalsContact CE-O 3.23Å; K303-Q324 WeakPolarHBondContact CE-O 3.36Å; K303-N325 WeakPolarHBondContact CE-O 3.39Å; K303-D326 HydrophobicContact CB-CB 4.21Å; K303-D326 HydrophobicContact CD-CB 4.39Å; K303-D326 HydrophobicContact CG-CB 4.25Å |
| 304 | A | 92.8 | Very high | 91.8 | Very high | 38 Ų | 38 | 111.7 Ų | 111.7 | 31% | 0.314 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -67.3 | -7.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L300 S301 R302 D326 | L300-A304 HydrophobicContact CB-CB 4.1Å; L300-A304 HydrophobicContact CD2-CB 4.18Å; S301-A304 VanDerWaalsContact OG-CB 3.32Å; S301-A304 WeakPolarHBondContact OG-CB 3.45Å; S301-A304 PolarHBondContact OG-N 3.15Å; R302-A304 PolarHBondContact O-N 3.31Å; A304-D326 HydrophobicContact CB-CB 3.86Å |
| 305 | R | 92.3 | Very high | 91.5 | Very high | 150 Ų | 150 | 103.7 Ų | 103.7 | 57% | 0.566 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -104.9 | -11.8 | 175.8 | -65 | 178 | -156.1 | -157.3 | 6.6 | 113.4 | L300 S301 R302 K303 | L300-R305 HydrophobicContact CB-CG 3.9Å; L300-R305 HydrophobicContact CD1-CG 4.39Å; L300-R305 PolarHBondContact O-NE 3.12Å; L300-R305 PolarHBondContact O-NH2 3.39Å; S301-R305 WeakPolarHBondContact O-CG 3.25Å; S301-R305 PolarHBondContact O-N 3.02Å; R302-R305 PolarHBondContact O-N 3.22Å; R302-R305 VanDerWaalsContact O-N 3.16Å; K303-R305 PolarHBondContact O-N 3.36Å; K303-R305 VanDerWaalsContact O-N 3.1Å |
| 306 | Q | 90.8 | Very high | 90.8 | Very high | 104 Ų | 104 | 105.1 Ų | 105.1 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | trans | -65.4 | 139 | 175.6 | -72.2 | 171.4 | -47.9 | 0 | 0 | 108.9 | R302 K303 | R302-Q306 PolarHBondContact O-N 2.82Å; K303-Q306 PolarHBondContact O-N 2.95Å; K303-Q306 VanDerWaalsContact O-N 3.17Å | ||
| 307 | K | 91.1 | Very high | 89.8 | Confident | 159 Ų | 159 | 106.3 Ų | 106.3 | 69% | 0.691 | 53% | 0.526 | S | S | * | . | trans | -120.3 | 154.8 | 168.4 | -65.3 | -178.9 | -180 | 178.4 | 0 | 106.6 | D309 | K307-D309 PolarHBondContact O-N 2.98Š| ||
| 308 | T | 91.2 | Very high | 89 | Confident | 50 Ų | 50 | 101.6 Ų | 101.6 | 31% | 0.307 | 52% | 0.519 | S | S | . | . | trans | -73.3 | 123.6 | 167.3 | -50.8 | 0 | 0 | 0 | 0 | 108.4 | V310 Y315 P321 F322 C323 | T308-V310 HydrophobicContact CG2-CG2 3.87Å; T308-Y315 HydrophobicContact CG2-CE2 3.89Å; T308-P321 WeakPolarHBondContact CG2-O 3.19Å; T308-F322 WeakPolarHBondContact OG1-CA 3.46Å; T308-C323 PolarHBondContact N-SG 3.22Å; T308-C323 PolarHBondContact OG1-N 3.44Å | ||
| 309 | D | 90.7 | Very high | 88.7 | Confident | 92 Ų | 92 | 103.9 Ų | 103.9 | 49% | 0.492 | 55% | 0.55 | S | S | . | * | trans | -107.5 | 122.9 | 158.8 | -165.1 | -20.6 | 0 | 0 | 0 | 107.1 | K307 F311 D312 Y315 | K307-D309 PolarHBondContact O-N 2.98Å; D309-F311 PolarHBondContact OD1-N 2.76Å; D309-D312 HydrophobicContact CB-CB 4.14Å; D309-Y315 WeakPolarHBondContact O-CD2 3.34Å | ||
| 310 | V | 91 | Very high | 88.5 | Confident | 84 Ų | 84 | 98.8 Ų | 98.8 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -90.5 | -14.2 | -176.2 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | T308 Y315 | T308-V310 HydrophobicContact CG2-CG2 3.87Å; V310-Y315 HydrophobicContact CG1-CD1 4.38Å; V310-Y315 HydrophobicContact CG1-CE1 4.01Å |
| 311 | F | 91.5 | Very high | 88.3 | Confident | 192 Ų | 192 | 100.2 Ų | 100.2 | 84% | 0.842 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -106.8 | 6.5 | -179.5 | -57.3 | -68.1 | 0 | 0 | 0 | 112.9 | D309 | D309-F311 PolarHBondContact OD1-N 2.76Š|
| 312 | D | 90.1 | Very high | 88.1 | Confident | 77 Ų | 77 | 106 Ų | 106 | 41% | 0.412 | 57% | 0.573 | S | S | . | * | trans | -63.8 | 129.6 | 169.3 | -171.4 | -40 | 0 | 0 | 0 | 108.9 | D309 D314 Y315 | D309-D312 HydrophobicContact CB-CB 4.14Å; D312-D314 PolarHBondContact O-N 3.49Å; D312-D314 PolarHBondContact OD1-N 2.87Å; D312-Y315 WeakPolarHBondContact O-CB 3.47Å; D312-Y315 PolarHBondContact O-N 3.13Å | ||
| 313 | P | 88.8 | Confident | 87.9 | Confident | 127 Ų | 127 | 98 Ų | 98 | 83% | 0.825 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -24.4 | 179.4 | 25.5 | -36 | 0 | 0 | 0 | 113.5 | Y315 | P313-Y315 VanDerWaalsContact C-N 3.31Š|
| 314 | D | 86.2 | Confident | 87.8 | Confident | 143 Ų | 143 | 101 Ų | 101 | 77% | 0.765 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 4.8 | 175.8 | -65.3 | -23.9 | 0 | 0 | 0 | 112.5 | D312 V316 | D312-D314 PolarHBondContact O-N 3.49Å; D312-D314 PolarHBondContact OD1-N 2.87Å; D314-V316 PolarHBondContact O-N 3.41Å |
| 315 | Y | 87 | Confident | 87.8 | Confident | 73 Ų | 73 | 105.7 Ų | 105.7 | 29% | 0.286 | 59% | 0.585 | S | S | . | * | trans | -71.1 | 86.9 | 176.9 | -177.2 | -100.1 | 0 | 0 | 0 | 111.6 | T308 D309 V310 D312 P313 A317 P321 | T308-Y315 HydrophobicContact CG2-CE2 3.89Å; D309-Y315 WeakPolarHBondContact O-CD2 3.34Å; V310-Y315 HydrophobicContact CG1-CD1 4.38Å; V310-Y315 HydrophobicContact CG1-CE1 4.01Å; D312-Y315 WeakPolarHBondContact O-CB 3.47Å; D312-Y315 PolarHBondContact O-N 3.13Å; P313-Y315 VanDerWaalsContact C-N 3.31Å; Y315-A317 HydrophobicContact CE1-CB 4.2Å; Y315-P321 VanDerWaalsContact OH-CA 3.26Å; Y315-P321 WeakPolarHBondContact OH-CA 3.24Å; Y315-P321 VanDerWaalsContact OH-CB 3.3Å; Y315-P321 WeakPolarHBondContact OH-CB 3.18Å; Y315-P321 PolarHBondContact OH-O 3.09Å; Y315-P321 VanDerWaalsContact OH-O 3.12Å | ||
| 316 | V | 78.9 | Confident | 87.9 | Confident | 126 Ų | 126 | 100 Ų | 100 | 76% | 0.764 | 57% | 0.565 | S | S | * | * | trans | -88 | 119.3 | 161.2 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | D314 G318 | D314-V316 PolarHBondContact O-N 3.41Å; V316-G318 PolarHBondContact O-N 2.97Å | ||
| 317 | A | 73.1 | Confident | 88.1 | Confident | 68 Ų | 68 | 100 Ų | 100 | 56% | 0.562 | 57% | 0.568 | S | S | * | * | trans | -67.1 | 85.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y315 | Y315-A317 HydrophobicContact CE1-CB 4.2Š| ||
| 318 | G | 75.4 | Confident | 88.3 | Confident | 55 Ų | 55 | 101.7 Ų | 101.7 | 57% | 0.567 | 57% | 0.571 | S | S | * | * | trans | -74.3 | -140.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | V316 S320 | V316-G318 PolarHBondContact O-N 2.97Å; G318-S320 PolarHBondContact O-N 3.24Å | ||
| 319 | A | 83.8 | Confident | 88.5 | Confident | 122 Ų | 122 | 100.7 Ų | 100.7 | 100% | 1.008 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -62.9 | -9.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 320 | S | 88.3 | Confident | 88.6 | Confident | 61 Ų | 61 | 106 Ų | 106 | 43% | 0.427 | 58% | 0.58 | S | S | . | * | trans | -155.3 | 135.7 | 175.8 | 165.1 | 0 | 0 | 0 | 0 | 109.4 | G318 F322 | G318-S320 PolarHBondContact O-N 3.24Å; S320-F322 PolarHBondContact O-N 3.01Å; S320-F322 PolarHBondContact OG-N 3.23Å; S320-F322 PolarHBondContact OG-O 2.9Å | ||
| 321 | P | 89.9 | Confident | 88.6 | Confident | 63 Ų | 63 | 102.5 Ų | 102.5 | 41% | 0.409 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -74.7 | -5.5 | 171.8 | 32.5 | -35.4 | 0 | 0 | 0 | 112.9 | T308 Y315 | T308-P321 WeakPolarHBondContact CG2-O 3.19Å; Y315-P321 VanDerWaalsContact OH-CA 3.26Å; Y315-P321 WeakPolarHBondContact OH-CA 3.24Å; Y315-P321 VanDerWaalsContact OH-CB 3.3Å; Y315-P321 WeakPolarHBondContact OH-CB 3.18Å; Y315-P321 PolarHBondContact OH-O 3.09Å; Y315-P321 VanDerWaalsContact OH-O 3.12Å |
| 322 | F | 90.6 | Very high | 88.7 | Confident | 153 Ų | 153 | 94.8 Ų | 94.8 | 67% | 0.671 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -113.7 | 141 | -179.1 | -53.1 | -64.9 | 0 | 0 | 0 | 112.8 | T308 S320 | T308-F322 WeakPolarHBondContact OG1-CA 3.46Å; S320-F322 PolarHBondContact O-N 3.01Å; S320-F322 PolarHBondContact OG-N 3.23Å; S320-F322 PolarHBondContact OG-O 2.9Å |
| 323 | C | 89.2 | Confident | 88.9 | Confident | 50 Ų | 50 | 96.8 Ų | 96.8 | 34% | 0.338 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 135.3 | 171.3 | 63.1 | 0 | 0 | 0 | 0 | 111.3 | T308 | T308-C323 PolarHBondContact N-SG 3.22Å; T308-C323 PolarHBondContact OG1-N 3.44Å |
| 324 | Q | 91.1 | Very high | 89.1 | Confident | 135 Ų | 135 | 94 Ų | 94 | 63% | 0.631 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 133.1 | -177.5 | -68.8 | -176.1 | -1.4 | 0 | 0 | 112.6 | K303 | K303-Q324 VanDerWaalsContact CE-O 3.23Å; K303-Q324 WeakPolarHBondContact CE-O 3.36Å |
| 325 | N | 93.3 | Very high | 89.3 | Confident | 136 Ų | 136 | 93.1 Ų | 93.1 | 73% | 0.727 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 152.5 | 172.1 | -72 | -57 | 0 | 0 | 0 | 112.9 | K303 | K303-N325 WeakPolarHBondContact CE-O 3.39Š|
| 326 | D | 94.4 | Very high | 89.6 | Confident | 29 Ų | 29 | 90.8 Ų | 90.8 | 16% | 0.155 | 50% | 0.504 | C | S | . | . | trans | -95.3 | 112.3 | 169.3 | 178.8 | 16.5 | 0 | 0 | 0 | 110.3 | S301 K303 A304 Y328 S329 A332 | S301-D326 VanDerWaalsContact CB-OD2 3.31Å; S301-D326 WeakPolarHBondContact CB-OD2 3.44Å; S301-D326 PolarHBondContact OG-OD2 3.11Å; K303-D326 HydrophobicContact CB-CB 4.21Å; K303-D326 HydrophobicContact CD-CB 4.39Å; K303-D326 HydrophobicContact CG-CB 4.25Å; A304-D326 HydrophobicContact CB-CB 3.86Å; D326-Y328 PolarHBondContact OD1-N 3.47Å; D326-S329 WeakPolarHBondContact OD1-CB 3.37Å; D326-S329 PolarHBondContact OD1-N 3.22Å; D326-S329 PolarHBondContact OD1-OG 2.92Å; D326-S329 WeakPolarHBondContact OD2-CB 3.44Å; D326-S329 PolarHBondContact OD2-OG 3.28Å; D326-A332 WeakPolarHBondContact O-CB 3.4Å | ||
| 327 | I | 95.1 | Very high | 90.1 | Very high | 106 Ų | 106 | 94.3 Ų | 94.3 | 54% | 0.544 | 50% | 0.503 | S | S | . | . | trans | -117.6 | -5.6 | 177.6 | 61.6 | 174.9 | 0 | 0 | 0 | 113 | ||||
| 328 | Y | 94.6 | Very high | 90.8 | Very high | 193 Ų | 193 | 94.2 Ų | 94.2 | 76% | 0.757 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -109.1 | -22.1 | -171 | -62.8 | -70 | 0 | 0 | 0 | 113.4 | D326 | D326-Y328 PolarHBondContact OD1-N 3.47Š|
| 329 | S | 95.3 | Very high | 91.1 | Very high | 30 Ų | 30 | 94.3 Ų | 94.3 | 21% | 0.21 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -69.9 | 154.9 | -178.5 | 81.8 | 0 | 0 | 0 | 0 | 112.3 | D326 A331 A332 N333 | D326-S329 WeakPolarHBondContact OD1-CB 3.37Å; D326-S329 PolarHBondContact OD1-N 3.22Å; D326-S329 PolarHBondContact OD1-OG 2.92Å; D326-S329 WeakPolarHBondContact OD2-CB 3.44Å; D326-S329 PolarHBondContact OD2-OG 3.28Å; S329-A331 PolarHBondContact O-N 3.02Å; S329-A331 VanDerWaalsContact O-N 3.1Å; S329-A331 PolarHBondContact OG-N 3.29Å; S329-A332 WeakPolarHBondContact O-CB 3.46Å; S329-A332 PolarHBondContact O-N 2.84Å; S329-A332 PolarHBondContact OG-N 3.06Å; S329-N333 PolarHBondContact O-N 2.74Å; S329-N333 VanDerWaalsContact O-N 3.11Å |
| 330 | R | 92.1 | Very high | 90.9 | Very high | 202 Ų | 202 | 95.5 Ų | 95.5 | 76% | 0.762 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -56.1 | -28 | 170.9 | -173.8 | 176.9 | -71.8 | 171.9 | -2.6 | 112.1 | L334 | R330-L334 HydrophobicContact CG-CD1 4.04Å; R330-L334 HydrophobicContact CG-CG 4.44Å; R330-L334 WeakPolarHBondContact O-CB 3.28Å; R330-L334 WeakPolarHBondContact O-CG 3.48Å; R330-L334 PolarHBondContact O-N 3.24Å |
| 331 | A | 92.2 | Very high | 90.7 | Very high | 12 Ų | 12 | 95.6 Ų | 95.6 | 10% | 0.099 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -70.1 | -37.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S329 L334 Q335 I336 | S329-A331 PolarHBondContact O-N 3.02Å; S329-A331 VanDerWaalsContact O-N 3.1Å; S329-A331 PolarHBondContact OG-N 3.29Å; A331-L334 PolarHBondContact O-N 2.89Å; A331-Q335 PolarHBondContact O-N 3.24Å; A331-I336 HydrophobicContact CB-CB 4.41Å; A331-I336 HydrophobicContact CB-CD1 3.91Å; A331-I336 HydrophobicContact CB-CG1 4.5Å; A331-I336 PolarHBondContact O-N 3.47Å |
| 332 | A | 93.9 | Very high | 90.3 | Very high | 29 Ų | 29 | 94.6 Ų | 94.6 | 24% | 0.24 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D326 S329 L334 Q335 | D326-A332 WeakPolarHBondContact O-CB 3.4Å; S329-A332 WeakPolarHBondContact O-CB 3.46Å; S329-A332 PolarHBondContact O-N 2.84Å; S329-A332 PolarHBondContact OG-N 3.06Å; A332-L334 VanDerWaalsContact C-N 3.31Å; A332-L334 PolarHBondContact O-N 2.65Å; A332-Q335 WeakPolarHBondContact O-CA 3.42Å; A332-Q335 PolarHBondContact O-N 3.29Å |
| 333 | N | 93.5 | Very high | 90.1 | Very high | 120 Ų | 120 | 89.6 Ų | 89.6 | 64% | 0.642 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.4 | -36.1 | 177.9 | -66.6 | 6.9 | 0 | 0 | 0 | 112.6 | S329 Q335 | S329-N333 PolarHBondContact O-N 2.74Å; S329-N333 VanDerWaalsContact O-N 3.11Å; N333-Q335 PolarHBondContact O-N 3.28Å |
| 334 | L | 92.5 | Very high | 90.1 | Very high | 68 Ų | 68 | 89.3 Ų | 89.3 | 36% | 0.356 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -3.4 | 173.4 | -70.4 | 171.2 | 0 | 0 | 0 | 113.6 | R330 A331 A332 I336 | R330-L334 HydrophobicContact CG-CD1 4.04Å; R330-L334 HydrophobicContact CG-CG 4.44Å; R330-L334 WeakPolarHBondContact O-CB 3.28Å; R330-L334 WeakPolarHBondContact O-CG 3.48Å; R330-L334 PolarHBondContact O-N 3.24Å; A331-L334 PolarHBondContact O-N 2.89Å; A332-L334 VanDerWaalsContact C-N 3.31Å; A332-L334 PolarHBondContact O-N 2.65Å; L334-I336 VanDerWaalsContact C-N 3.26Å; L334-I336 HydrophobicContact CB-CD1 4.27Å; L334-I336 HydrophobicContact CB-CG1 3.99Å; L334-I336 HydrophobicContact CD1-CD1 4.39Å; L334-I336 PolarHBondContact O-N 3.09Å |
| 335 | Q | 91.9 | Very high | 89.8 | Confident | 125 Ų | 125 | 88.5 Ų | 88.5 | 58% | 0.584 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 35.1 | -177.6 | -52.9 | 175 | -18.9 | 0 | 0 | 113.3 | A331 A332 N333 | A331-Q335 PolarHBondContact O-N 3.24Å; A332-Q335 WeakPolarHBondContact O-CA 3.42Å; A332-Q335 PolarHBondContact O-N 3.29Å; N333-Q335 PolarHBondContact O-N 3.28Å |
| 336 | I | 92.1 | Very high | 89.5 | Confident | 24 Ų | 24 | 89.5 Ų | 89.5 | 12% | 0.123 | 46% | 0.458 | C | S | . | . | trans | -62.9 | 137.8 | 175.2 | -60.4 | 177.1 | 0 | 0 | 0 | 108.3 | Q298 L300 A331 L334 | Q298-I336 HydrophobicContact CB-CD1 3.87Å; Q298-I336 HydrophobicContact CB-CG1 4.27Å; Q298-I336 HydrophobicContact CB-CG2 4.39Å; Q298-I336 HydrophobicContact CG-CD1 4.49Å; Q298-I336 WeakPolarHBondContact O-CG2 3.48Å; L300-I336 HydrophobicContact CD2-CB 4.15Å; L300-I336 HydrophobicContact CD2-CG2 3.78Å; L300-I336 WeakPolarHBondContact CD2-O 3.46Å; L300-I336 HydrophobicContact CG-CG2 4.24Å; A331-I336 HydrophobicContact CB-CB 4.41Å; A331-I336 HydrophobicContact CB-CD1 3.91Å; A331-I336 HydrophobicContact CB-CG1 4.5Å; A331-I336 PolarHBondContact O-N 3.47Å; L334-I336 VanDerWaalsContact C-N 3.26Å; L334-I336 HydrophobicContact CB-CD1 4.27Å; L334-I336 HydrophobicContact CB-CG1 3.99Å; L334-I336 HydrophobicContact CD1-CD1 4.39Å; L334-I336 PolarHBondContact O-N 3.09Å | ||
| 337 | R | 89.9 | Confident | 89.2 | Confident | 200 Ų | 200 | 96.6 Ų | 96.6 | 76% | 0.755 | 48% | 0.482 | S | S | * | . | trans | -125.5 | 156.2 | 179.3 | -62.6 | -63 | -179.1 | 159.7 | -2.5 | 109.7 | ||||
| 338 | D | 88.3 | Confident | 88.9 | Confident | 66 Ų | 66 | 93.5 Ų | 93.5 | 35% | 0.353 | 47% | 0.472 | S | S | . | . | trans | -61.2 | 142 | 171.3 | -174.2 | 2.9 | 0 | 0 | 0 | 110.4 | L300 Q340 S341 | L300-D338 HydrophobicContact CD1-CB 4.04Å; D338-Q340 PolarHBondContact O-N 3.13Å; D338-Q340 PolarHBondContact OD1-N 3.42Å; D338-S341 VanDerWaalsContact O-CB 3.3Å; D338-S341 WeakPolarHBondContact O-CB 3.41Å; D338-S341 PolarHBondContact O-N 3.46Å | ||
| 339 | G | 81.3 | Confident | 88.7 | Confident | 57 Ų | 57 | 87.2 Ų | 87.2 | 59% | 0.588 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -31.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S341 R346 | G339-S341 VanDerWaalsContact C-N 3.28Å; G339-S341 PolarHBondContact O-N 2.98Å; G339-R346 PolarHBondContact O-NH2 3.07Å |
| 340 | Q | 79.8 | Confident | 88.5 | Confident | 147 Ų | 147 | 88 Ų | 88 | 69% | 0.687 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -32.2 | 174.4 | -61.3 | -172.9 | -9.7 | 0 | 0 | 112.2 | D338 | D338-Q340 PolarHBondContact O-N 3.13Å; D338-Q340 PolarHBondContact OD1-N 3.42Å |
| 341 | S | 83.3 | Confident | 88.4 | Confident | 63 Ų | 63 | 83.3 Ų | 83.3 | 44% | 0.441 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 142.1 | -178.9 | -69 | 0 | 0 | 0 | 0 | 112.4 | D338 G339 R346 | D338-S341 VanDerWaalsContact O-CB 3.3Å; D338-S341 WeakPolarHBondContact O-CB 3.41Å; D338-S341 PolarHBondContact O-N 3.46Å; G339-S341 VanDerWaalsContact C-N 3.28Å; G339-S341 PolarHBondContact O-N 2.98Å; S341-R346 PolarHBondContact O-NH1 2.93Å; S341-R346 PolarHBondContact O-NH2 3.48Å |
| 342 | G | 83.1 | Confident | 88.4 | Confident | 42 Ų | 42 | 85 Ų | 85 | 43% | 0.433 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 13.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | G344 R345 R346 | G342-G344 PolarHBondContact O-N 2.7Å; G342-R345 WeakPolarHBondContact O-CB 3.21Å; G342-R345 PolarHBondContact O-N 3.43Å; G342-R346 PolarHBondContact O-N 3Å |
| 343 | A | 86.4 | Confident | 88 | Confident | 47 Ų | 47 | 88.8 Ų | 88.8 | 39% | 0.388 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -52 | -48.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R345 R346 R347 | A343-R345 VanDerWaalsContact C-N 3.28Å; A343-R345 PolarHBondContact O-N 3.44Å; A343-R346 PolarHBondContact O-N 3.32Å; A343-R346 VanDerWaalsContact O-N 3.11Å; A343-R347 PolarHBondContact O-N 3.41Å; A343-R347 VanDerWaalsContact O-N 3.15Å |
| 344 | G | 87.2 | Confident | 87.5 | Confident | 44 Ų | 44 | 88.6 Ų | 88.6 | 45% | 0.454 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.5 | -32.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G342 R347 | G342-G344 PolarHBondContact O-N 2.7Å; G344-R347 PolarHBondContact O-N 3.29Å |
| 345 | R | 85.4 | Confident | 87.3 | Confident | 119 Ų | 119 | 95.2 Ų | 95.2 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.2 | -33.8 | 174.4 | 168.6 | 169.2 | 154 | -169.5 | -16 | 112.4 | G342 A343 R347 A348 K360 K361 | G342-R345 WeakPolarHBondContact O-CB 3.21Å; G342-R345 PolarHBondContact O-N 3.43Å; A343-R345 VanDerWaalsContact C-N 3.28Å; A343-R345 PolarHBondContact O-N 3.44Å; R345-R347 VanDerWaalsContact C-N 3.29Å; R345-A348 WeakPolarHBondContact O-CB 3.46Å; R345-A348 PolarHBondContact O-N 2.96Å; R345-K360 HydrophobicContact CG-CD 4.27Å; R345-K361 PolarHBondContact NE-O 3.41Å; R345-K361 PolarHBondContact NH2-O 2.66Å |
| 346 | R | 87.4 | Confident | 87 | Confident | 157 Ų | 157 | 98.4 Ų | 98.4 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.8 | -24.4 | 173.4 | -68.5 | -172.5 | -69.9 | -96 | 3.2 | 113 | G339 S341 G342 A343 A348 | G339-R346 PolarHBondContact O-NH2 3.07Å; S341-R346 PolarHBondContact O-NH1 2.93Å; S341-R346 PolarHBondContact O-NH2 3.48Å; G342-R346 PolarHBondContact O-N 3Å; A343-R346 PolarHBondContact O-N 3.32Å; A343-R346 VanDerWaalsContact O-N 3.11Å; R346-A348 VanDerWaalsContact C-N 3.33Å |
| 347 | R | 88 | Confident | 86.8 | Confident | 178 Ų | 178 | 105.9 Ų | 105.9 | 67% | 0.672 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -12.7 | 172.5 | -67.7 | 178 | 174.5 | -130.7 | 1.7 | 113.9 | E56 A343 G344 R345 | E56-R347 IonicContact OE1-CZ 2.59Å; E56-R347 IonicContact OE1-NH1 3.22Å; E56-R347 PolarHBondContact OE1-NH1 3.19Å; E56-R347 IonicContact OE1-NH2 2.78Å; E56-R347 PolarHBondContact OE1-NH2 3.37Å; E56-R347 IonicContact OE2-NH1 3.38Å; E56-R347 PolarHBondContact OE2-NH1 2.96Å; A343-R347 PolarHBondContact O-N 3.41Å; A343-R347 VanDerWaalsContact O-N 3.15Å; G344-R347 PolarHBondContact O-N 3.29Å; R345-R347 VanDerWaalsContact C-N 3.29Å |
| 348 | A | 89.3 | Confident | 86.5 | Confident | 40 Ų | 40 | 101 Ų | 101 | 33% | 0.331 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -77.6 | 137.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R345 R346 P350 | R345-A348 WeakPolarHBondContact O-CB 3.46Å; R345-A348 PolarHBondContact O-N 2.96Å; R346-A348 VanDerWaalsContact C-N 3.33Å; A348-P350 WeakPolarHBondContact O-CD 3.43Å |
| 349 | N | 90.9 | Very high | 85.8 | Confident | 61 Ų | 61 | 107.6 Ų | 107.6 | 33% | 0.326 | 56% | 0.56 | S | S | . | * | trans | -54.1 | 121.4 | 176.9 | 178.4 | -4.4 | 0 | 0 | 0 | 111.1 | G270 N351 A352 | G270-N349 WeakPolarHBondContact CA-OD1 3.48Å; N349-N351 PolarHBondContact O-N 3.22Å; N349-N351 WeakPolarHBondContact OD1-CB 3.21Å; N349-N351 PolarHBondContact OD1-N 2.94Å; N349-A352 HydrophobicContact CB-CB 4.25Å; N349-A352 WeakPolarHBondContact O-CB 3.27Å; N349-A352 PolarHBondContact O-N 3.35Å | ||
| 350 | P | 89.9 | Confident | 85 | Confident | 48 Ų | 48 | 108.8 Ų | 108.8 | 31% | 0.312 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -37 | 178.4 | -28.6 | 37 | 0 | 0 | 0 | 113.6 | H273 A348 A352 R354 | H273-P350 HydrophobicContact CB-CB 4.08Å; A348-P350 WeakPolarHBondContact O-CD 3.43Å; P350-A352 VanDerWaalsContact C-N 3.29Å; P350-A352 PolarHBondContact O-N 3.1Å; P350-R354 PolarHBondContact O-NH2 3.36Å; P350-R354 VanDerWaalsContact O-NH2 3.1Å |
| 351 | N | 91.1 | Very high | 84 | Confident | 102 Ų | 102 | 111.7 Ų | 111.7 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.8 | -4.6 | -174.6 | -55.9 | -20.5 | 0 | 0 | 0 | 113.6 | R272 H273 N349 | R272-N351 PolarHBondContact O-ND2 3.39Å; H273-N351 WeakPolarHBondContact CB-OD1 3.19Å; N349-N351 PolarHBondContact O-N 3.22Å; N349-N351 WeakPolarHBondContact OD1-CB 3.21Å; N349-N351 PolarHBondContact OD1-N 2.94Å |
| 352 | A | 90.4 | Very high | 84.1 | Confident | 49 Ų | 49 | 114.1 Ų | 114.1 | 41% | 0.405 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -76.7 | 141.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N349 P350 R354 | N349-A352 HydrophobicContact CB-CB 4.25Å; N349-A352 WeakPolarHBondContact O-CB 3.27Å; N349-A352 PolarHBondContact O-N 3.35Å; P350-A352 VanDerWaalsContact C-N 3.29Å; P350-A352 PolarHBondContact O-N 3.1Å; A352-R354 WeakPolarHBondContact O-CG 3.21Å |
| 353 | A | 87.2 | Confident | 84.1 | Confident | 108 Ų | 108 | 117.9 Ų | 117.9 | 89% | 0.893 | 57% | 0.572 | S | S | * | * | trans | -58.7 | 153.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 354 | R | 82.8 | Confident | 84 | Confident | 116 Ų | 116 | 121.8 Ų | 121.8 | 44% | 0.438 | 58% | 0.582 | S | S | . | * | trans | -135.8 | 151.1 | -170.7 | -58.1 | 177.8 | -176.7 | -169 | -1 | 110.4 | P350 A352 K356 K360 | P350-R354 PolarHBondContact O-NH2 3.36Å; P350-R354 VanDerWaalsContact O-NH2 3.1Å; A352-R354 WeakPolarHBondContact O-CG 3.21Å; R354-K356 PolarHBondContact O-N 2.99Å; R354-K360 VanDerWaalsContact NH1-CB 3.32Å; R354-K360 PolarHBondContact NH1-O 3.19Å | ||
| 355 | R | 88.1 | Confident | 83.8 | Confident | 206 Ų | 206 | 126.4 Ų | 126.4 | 78% | 0.777 | 59% | 0.59 | S | S | * | * | trans | -58.2 | 132.4 | 174.6 | -60.5 | 179.1 | 74 | -175.6 | 3.5 | 109.7 | F357 L358 | R355-F357 PolarHBondContact O-N 2.94Å; R355-L358 HydrophobicContact CB-CD1 3.99Å; R355-L358 HydrophobicContact CB-CG 4.16Å; R355-L358 HydrophobicContact CG-CD1 4.35Å; R355-L358 PolarHBondContact O-N 3.47Å | ||
| 356 | K | 85 | Confident | 83.7 | Confident | 192 Ų | 192 | 126.9 Ų | 126.9 | 84% | 0.835 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.5 | -38.4 | -168.6 | -168.1 | 175.6 | -178.2 | 177.5 | 0 | 115.5 | R354 | R354-K356 PolarHBondContact O-N 2.99Š|
| 357 | F | 88.1 | Confident | 83.5 | Confident | 181 Ų | 181 | 124.9 Ų | 124.9 | 79% | 0.794 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -3.2 | -174.7 | -57.1 | -70.8 | 0 | 0 | 0 | 114.9 | R355 K359 | R355-F357 PolarHBondContact O-N 2.94Å; F357-K359 PolarHBondContact O-N 3.24Å |
| 358 | L | 83 | Confident | 83.1 | Confident | 98 Ų | 98 | 121.1 Ų | 121.1 | 51% | 0.513 | 59% | 0.594 | S | S | . | * | trans | -90.1 | 91.8 | -176.8 | -68.4 | -176.4 | 0 | 0 | 0 | 112.6 | R355 K360 | R355-L358 HydrophobicContact CB-CD1 3.99Å; R355-L358 HydrophobicContact CB-CG 4.16Å; R355-L358 HydrophobicContact CG-CD1 4.35Å; R355-L358 PolarHBondContact O-N 3.47Å; L358-K360 PolarHBondContact O-N 2.97Å | ||
| 359 | K | 74.6 | Confident | 82.7 | Confident | 205 Ų | 205 | 127.3 Ų | 127.3 | 89% | 0.891 | 61% | 0.614 | S | S | * | * | trans | -67.4 | 93.6 | 170.1 | -67.1 | -177.2 | -178.4 | 177.1 | 0 | 111.1 | F357 | F357-K359 PolarHBondContact O-N 3.24Š| ||
| 360 | K | 63.3 | Low | 82 | Confident | 81 Ų | 81 | 132.8 Ų | 132.8 | 35% | 0.352 | 64% | 0.638 | S | S | . | * | trans | -90 | 102.6 | 171.5 | -73.6 | -173 | -178.6 | 177.6 | 0 | 110.8 | R345 R354 L358 | R345-K360 HydrophobicContact CG-CD 4.27Å; R354-K360 VanDerWaalsContact NH1-CB 3.32Å; R354-K360 PolarHBondContact NH1-O 3.19Å; L358-K360 PolarHBondContact O-N 2.97Å | ||
| 361 | K | 60.3 | Low | 81.3 | Confident | 208 Ų | 208 | 140.5 Ų | 140.5 | 90% | 0.904 | 67% | 0.668 | S | S | * | * | trans | -54.6 | 0 | 151.7 | -70.7 | 178.1 | 177.5 | 166.2 | 0 | 110.7 | R345 | R345-K361 PolarHBondContact NE-O 3.41Å; R345-K361 PolarHBondContact NH2-O 2.66Å |
Retrieved 361 of 361 residues in 78.2 ms
(Link to these results)